Filename stringlengths 10 43 | SMILES stringlengths 3 471 | Page_in_file_mol float64 0 489 | Page_in_file_para int64 0 489 | Location_in_page_mol stringlengths 37 45 | Location_in_page_para stringlengths 37 61 | NMR_type stringclasses 11
values | NMR_frequency stringlengths 3 38 | NMR_solvent stringclasses 17
values | NMR_shift_text stringlengths 1 1.36k | NMR_note stringlengths 2 352 ⌀ | NMR_processed stringlengths 17 2.43k | Atom_number int64 1 244 | Atom_number_diff_env int64 1 118 | Atom_number_abstract float64 0.07 244 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1021_ol5014262 | O=Cc1cnc2ccccc2c1 | 10 | 10 | [0.09200368 0.07167969 0.26868107 0.16015626] | [0.08998162 0.1794922 0.9089155 0.35175782] | 1H NMR | 400 MHz | CDCl3 | 10.20 (s, 1H), 9.32 (d, J = 2.0 Hz, 1H), 8.58 (d, J = 1.5 Hz, 1H), 8.14 (d, J = 8.5 Hz, 1H), 7.94 (d, J = 8.1 Hz, 1H), 7.84 (ddd, J = 8.4, 7.0, 1.4 Hz, 1H), 7.62 (ddd, J = 8.1, 7.0, 1.1 Hz, 1H) | null | [('s', [], '1H', 10.2, 10.2), ('d', ['2.0Hz'], '1H', 9.32, 9.32), ('d', ['1.5Hz'], '1H', 8.58, 8.58), ('d', ['8.5Hz'], '1H', 8.14, 8.14), ('d', ['8.1Hz'], '1H', 7.94, 7.94), ('ddd', ['8.4Hz', '7.0Hz', '1.4Hz'], '1H', 7.84, 7.84), ('ddd', ['8.1Hz', '7.0Hz', '1.1Hz'], '1H', 7.62, 7.62)] | 7 | 7 | 7 |
10.1021_ol5014262 | O=Cc1cnc2ccccc2c1 | 10 | 10 | [0.09200368 0.07167969 0.26868107 0.16015626] | [0.08998162 0.1794922 0.9089155 0.35175782] | 13C NMR | 101 MHz | CDCl3 | 190.8, 150.6, 149.1, 140.2, 132.7, 129.7, 129.5, 128.6, 127.9, 127.1 | null | [(190.8, None, None), (150.6, None, None), (149.1, None, None), (140.2, None, None), (132.7, None, None), (129.7, None, None), (129.5, None, None), (128.6, None, None), (127.9, None, None), (127.1, None, None)] | 10 | 10 | 10 |
10.1021_ol5014262 | O=CC=Cc1ccccc1 | 10 | 10 | [0.09446807 0.37070315 0.26994486 0.45195316] | [0.0889706 0.47343753 0.90790443 0.60781255] | 1H NMR | 400 MHz | CDCl3 | 9.68 (d, J = 7.7 Hz, 1H), 7.55 (dd, J = 6.4, 2.7 Hz, 2H), 7.45 (d, J = 16.1 Hz, 1H), 7.41 (dd, J = 5.1, 1.6 Hz, 3H), 6.70 (dd, J = 15.9, 7.7 Hz, 1H) | null | [('d', ['7.7Hz'], '1H', 9.68, 9.68), ('dd', ['6.4Hz', '2.7Hz'], '2H', 7.55, 7.55), ('d', ['16.1Hz'], '1H', 7.45, 7.45), ('dd', ['5.1Hz', '1.6Hz'], '3H', 7.41, 7.41), ('dd', ['15.9Hz', '7.7Hz'], '1H', 6.7, 6.7)] | 8 | 6 | 8 |
10.1021_ol5014262 | O=CC=Cc1ccccc1 | 10 | 10 | [0.09446807 0.37070315 0.26994486 0.45195316] | [0.0889706 0.47343753 0.90790443 0.60781255] | 13C NMR | 101 MHz | CDCl3 | 193.7, 152.8, 134.0, 131.3, 129.1, 128.6, 128.5 | null | [(193.7, None, None), (152.8, None, None), (134.0, None, None), (131.3, None, None), (129.1, None, None), (128.6, None, None), (128.5, None, None)] | 9 | 7 | 7 |
10.1021_ol5014262 | O=Cc1coc2ccccc2c1=O | 10 | 10 | [0.09459444 0.62304691 0.26994486 0.7128907 ] | [0.08947611 0.73046883 0.90689346 0.86484381] | 1H NMR | 400 MHz | CDCl3 | 10.30 (s, 1H), 8.49 (s, 1H), 8.22 (dd, J = 7.9, 1.3 Hz, 1H), 7.77-7.63 (m, 1H), 7.58-7.35 (m, 2H) | null | [('s', [], '1H', 10.3, 10.3), ('s', [], '1H', 8.49, 8.49), ('dd', ['7.9Hz', '1.3Hz'], '1H', 8.22, 8.22), ('m', [], '1H', 7.77, 7.63), ('m', [], '2H', 7.58, 7.35)] | 6 | 6 | 6 |
10.1021_ol5014262 | O=Cc1coc2ccccc2c1=O | 10 | 10 | [0.09459444 0.62304691 0.26994486 0.7128907 ] | [0.08947611 0.73046883 0.90689346 0.86484381] | 13C NMR | 101 MHz | CDCl3 | 188.6, 175.9, 160.7, 156.1, 134.9, 126.6, 126.1, 125.3, 120.23, 118.6 | null | [(188.6, None, None), (175.9, None, None), (160.7, None, None), (156.1, None, None), (134.9, None, None), (126.6, None, None), (126.1, None, None), (125.3, None, None), (120.23, None, None), (118.6, None, None)] | 10 | 10 | 10 |
10.1002_adsc.201400983 | Cc1ccc(Sc2ccc(C)cc2)cc1 | 2 | 2 | [0.12437633 0.75546881 0.29850318 0.79453131] | [0.12133601 0.81406256 0.53315984 0.82968756] | 1H NMR | 300 MHz | CDCl3 | 7.23 (d, J = 8.1 Hz, 4H), 7.09 (d, J = 7.8 Hz, 4H), 2.31 (s, 6H) | null | [('d', ['8.1Hz'], '4H', 7.23, 7.23), ('d', ['7.8Hz'], '4H', 7.09, 7.09), ('s', [], '6H', 2.31, 2.31)] | 14 | 3 | 14 |
10.1002_adsc.201400983 | Cc1ccc(Sc2ccc(C)cc2)cc1 | 2 | 2 | [0.12437633 0.75546881 0.29850318 0.79453131] | [0.12133601 0.81406256 0.53315984 0.82968756] | 13C NMR | 75 MHz | CDCl3 | 136.8, 132.6, 131.0, 129.9, 21.0 | null | [(136.8, None, None), (132.6, None, None), (131.0, None, None), (129.9, None, None), (21.0, None, None)] | 14 | 5 | 5 |
10.1002_adsc.201400983 | COc1ccc(Sc2ccc(C)cc2)cc1 | 3 | 3 | [0.1249291 0.73984381 0.31232277 0.77890631] | [0.12078323 0.80000004 0.41154742 0.81406256] | 1H NMR | 300 MHz | CDCl3 | 7.36 (d, J = 8.7 Hz, 2H), 7.14-7.04 (m, 4H), 6.87 (d, J = 8.7 Hz, 2H), 3.79 (s, 3H), 2.29 (s, 3H) | null | [('d', ['8.7Hz'], '2H', 7.36, 7.36), ('m', [], '4H', 7.14, 7.04), ('d', ['8.7Hz'], '2H', 6.87, 6.87), ('s', [], '3H', 3.79, 3.79), ('s', [], '3H', 2.29, 2.29)] | 14 | 6 | 14 |
10.1002_adsc.201400983 | COc1ccc(Sc2ccc(C)cc2)cc1 | 3 | 3 | [0.1249291 0.73984381 0.31232277 0.77890631] | [0.12078323 0.80000004 0.41154742 0.81406256] | 13C NMR | 75 MHz | CDCl3 | 160.0, 136.6, 134.8, 130.2, 129.9, 126.1, 115.3, 55.8, 21.4 | null | [(160.0, None, None), (136.6, None, None), (134.8, None, None), (130.2, None, None), (129.9, None, None), (126.1, None, None), (115.3, None, None), (55.8, None, None), (21.4, None, None)] | 14 | 10 | 9 |
10.1002_adsc.201400983 | COc1ccc(Sc2ccc(C(C)(C)C)cc2)cc1 | 5 | 5 | [0.12299437 0.64179692 0.33940917 0.6894532 ] | [0.12064503 0.70781253 0.41127104 0.72187504] | 1H NMR | 300 MHz | CDCl3 | 7.40 (d, J = 8.4 Hz, 2H), 7.28 (d, J = 8.4 Hz, 2H), 7.14 (d, J = 8.4 Hz, 2H), 6.89 (d, J = 8.4 Hz, 2H), 3.80 (s, 3H), 1.28 (s, 9H) | null | [('d', ['8.4Hz'], '2H', 7.4, 7.4), ('d', ['8.4Hz'], '2H', 7.28, 7.28), ('d', ['8.4Hz'], '2H', 7.14, 7.14), ('d', ['8.4Hz'], '2H', 6.89, 6.89), ('s', [], '3H', 3.8, 3.8), ('s', [], '9H', 1.28, 1.28)] | 20 | 6 | 20 |
10.1002_adsc.201400983 | COc1ccc(Sc2ccc(C(C)(C)C)cc2)cc1 | 5 | 5 | [0.12299437 0.64179692 0.33940917 0.6894532 ] | [0.12064503 0.70781253 0.41127104 0.72187504] | 13C NMR | 75 MHz | CDCl3 | 159.6, 149.2, 134.8, 134.6, 128.6, 126.0, 125.1, 114.9, 55.3, 31.2 | null | [(159.6, None, None), (149.2, None, None), (134.8, None, None), (134.6, None, None), (128.6, None, None), (126.0, None, None), (125.1, None, None), (114.9, None, None), (55.3, None, None), (31.2, None, None)] | 17 | 11 | 10 |
10.1002_anie.202315269 | CCCCCCc1ccc(C(=O)c2ccc(CCCCCC)cc2)cc1 | 0 | 0 | [0.15133554 0.56562504 0.3739203 0.6171875 ] | [0.3896614 0.55937503 0.84946742 0.62656256] | 1H NMR | 600 MHz | CDCl3 | 7.75-7.72 (m, 4H), 7.28 (d, J = 8.0 Hz, 4H), 2.70-2.67 (m, 4H), 1.68-1.62 (m, 4H), 1.38-1.26 (m, 12H), 0.91-0.84 (m, 6H) | null | [('m', [], '4H', 7.75, 7.72), ('d', ['8.0Hz'], '4H', 7.28, 7.28), ('m', [], '4H', 2.7, 2.67), ('m', [], '4H', 1.68, 1.62), ('m', [], '12H', 1.38, 1.26), ('m', [], '6H', 0.91, 0.84)] | 34 | 8 | 34 |
10.1002_anie.202315269 | CCCCCCc1ccc(C(=O)c2ccc(CCCCCC)cc2)cc1 | 0 | 0 | [0.15133554 0.56562504 0.3739203 0.6171875 ] | [0.3896614 0.55937503 0.84946742 0.62656256] | 13C NMR | 151 MHz | CDCl3 | 196.5, 148.0, 135.5, 130.4, 128.4, 36.2, 31.8, 31.3, 29.1, 22.7, 14.2 | null | [(196.5, None, None), (148.0, None, None), (135.5, None, None), (130.4, None, None), (128.4, None, None), (36.2, None, None), (31.8, None, None), (31.3, None, None), (29.1, None, None), (22.7, None, None), (14.2, None, None)] | 25 | 11 | 11 |
10.1002_anie.202315269 | CC(C)Cc1ccc(C(=O)c2ccc(CC(C)C)cc2)cc1 | 0 | 0 | [0.15119747 0.73515628 0.38110047 0.78515632] | [0.39601308 0.73281251 0.85001971 0.80000004] | 1H NMR | 400 MHz | CDCl3 | 7.73 (d, J = 7.7 Hz, 4H), 7.24 (d, J = 7.9 Hz, 4H), 2.56 (d, J = 7.2 Hz, 4H), 1.99-1.84 (m, 2H), 0.93 (d, J = 6.6 Hz, 12H) | null | [('d', ['7.7Hz'], '4H', 7.73, 7.73), ('d', ['7.9Hz'], '4H', 7.24, 7.24), ('d', ['7.2Hz'], '4H', 2.56, 2.56), ('m', [], '2H', 1.99, 1.84), ('d', ['6.6Hz'], '12H', 0.93, 0.93)] | 26 | 5 | 26 |
10.1002_anie.202315269 | CC(C)Cc1ccc(C(=O)c2ccc(CC(C)C)cc2)cc1 | 0 | 0 | [0.15119747 0.73515628 0.38110047 0.78515632] | [0.39601308 0.73281251 0.85001971 0.80000004] | 13C NMR | 101 MHz | CDCl3 | 196.5, 146.8, 135.6, 130.2, 129.1, 45.5, 30.3, 22.5 | null | [(196.5, None, None), (146.8, None, None), (135.6, None, None), (130.2, None, None), (129.1, None, None), (45.5, None, None), (30.3, None, None), (22.5, None, None)] | 21 | 8 | 8 |
10.1002_anie.202315269 | FC(F)=Cc1ccc(OCc2ccc(F)cc2)cc1 | 1 | 1 | [0.15078323 0.42812501 0.34299042 0.48515628] | [0.14802163 0.42343752 0.85167668 0.58437501] | 1H NMR | 600 MHz | CDCl3 | 7.41 (dd, J = 8.5, 5.5 Hz, 2H), 7.29-7.22 (m, 2H), 7.10-7.07 (m, 2H), 6.95-6.87 (m, 2H), 5.22 (dd, J = 26.4, 3.8 Hz, 1H), 5.03 (s, 2H) | null | [('dd', ['8.5Hz', '5.5Hz'], '2H', 7.41, 7.41), ('m', [], '2H', 7.29, 7.22), ('m', [], '2H', 7.1, 7.07), ('m', [], '2H', 6.95, 6.87), ('dd', ['26.4Hz', '3.8Hz'], '1H', 5.22, 5.22), ('s', [], '2H', 5.03, 5.03)] | 11 | 6 | 11 |
10.1002_anie.202315269 | FC(F)=Cc1ccc(OCc2ccc(F)cc2)cc1 | 1 | 1 | [0.15078323 0.42812501 0.34299042 0.48515628] | [0.14802163 0.42343752 0.85167668 0.58437501] | 13C NMR | 151 MHz | CDCl3 | 162.7 (d, J = 246.4 Hz), 157.6 (d, J = 2.4 Hz), 156.0 (dd, J = 286.9, 297.5 Hz), 132.7 (d, J = 3.2 Hz), 129.5 (d, J = 8.2 Hz), 128.9 (dd, J = 6.5, 3.3 Hz), 123.3 (t, J = 6.4 Hz), 115.7 (d, J = 21.4 Hz), 115.2, 81.6 (dd, J = 29.3, 14.1 Hz), 69.5 | null | [(162.7, 'd', 246.4), (157.6, 'd', 2.4), (156.0, 'dd', [286.9, 297.5]), (132.7, 'd', 3.2), (129.5, 'd', 8.2), (128.9, 'dd', [6.5, 3.3]), (123.3, 't', 6.4), (115.7, 'd', 21.4), (115.2, None, None), (81.6, 'dd', [29.3, 14.1]), (69.5, None, None)] | 15 | 11 | 11 |
10.1002_anie.202315269 | FC(F)=Cc1ccc(OCc2ccc(F)cc2)cc1 | 1 | 1 | [0.15078323 0.42812501 0.34299042 0.48515628] | [0.14802163 0.42343752 0.85167668 0.58437501] | 19F NMR | 565 MHz | CDCl3 | -84.3 (dd, J = 36.0, 26.3 Hz, 1F),-86.1 (dd, J = 36.1, 4.0 Hz, 1F),-114.1 (ddd, J = 14.1, 9.0, 5.2 Hz, 1F) | null | [([-84.3, -84.3], 'dd', ['36.0Hz', '26.3Hz']), ([-86.1, -86.1], 'dd', ['36.1Hz', '4.0Hz']), ([-114.1, -114.1], 'ddd', ['14.1Hz', '9.0Hz', '5.2Hz'])] | 3 | 2 | 3 |
10.1002_anie.202315269 | FC(F)=Cc1ccc(OCc2ccc(Br)cc2)cc1 | 1 | 1 | [0.15133554 0.65703128 0.35127521 0.71328126] | [0.14691699 0.65156254 0.84891508 0.79375003] | 1H NMR | 600 MHz | CDCl3 | 7.52 (d, J = 8.3 Hz, 2H), 7.33-7.26 (m, 4H), 6.93 (d, J = 8.7 Hz, 2H), 5.22 (dd, J = 26.4, 3.8 Hz, 1H), 5.03 (s, 2H) | null | [('d', ['8.3Hz'], '2H', 7.52, 7.52), ('m', [], '4H', 7.33, 7.26), ('d', ['8.7Hz'], '2H', 6.93, 6.93), ('dd', ['26.4Hz', '3.8Hz'], '1H', 5.22, 5.22), ('s', [], '2H', 5.03, 5.03)] | 11 | 6 | 11 |
10.1002_anie.202315269 | FC(F)=Cc1ccc(OCc2ccc(Br)cc2)cc1 | 1 | 1 | [0.15133554 0.65703128 0.35127521 0.71328126] | [0.14691699 0.65156254 0.84891508 0.79375003] | 13C NMR | 151 MHz | CDCl3 | 157.5 (t, J = 1.5 Hz), 156.0 (dd, J = 297.5, 297.5 Hz), 136.0, 131.9, 129.2, 129.0 (dd, J = 6.3, 3.5 Hz), 123.3 (t, J = 6.2 Hz), 122.1, 115.2, 81.6 (dd, J = 29.4, 14.1 Hz), 69.3 | null | [(157.5, 't', 1.5), (156.0, 'dd', [297.5, 297.5]), (136.0, None, None), (131.9, None, None), (129.2, None, None), (129.0, 'dd', [6.3, 3.5]), (123.3, 't', 6.2), (122.1, None, None), (115.2, None, None), (81.6, 'dd', [29.4, 14.1]), (69.3, None, None)] | 15 | 11 | 11 |
10.1002_anie.202315269 | FC(F)=Cc1ccc(OCc2ccc(Br)cc2)cc1 | 1 | 1 | [0.15133554 0.65703128 0.35127521 0.71328126] | [0.14691699 0.65156254 0.84891508 0.79375003] | 19F NMR | 565 MHz | CDCl3 | -84.2 (dd, J = 36.4, 26.4 Hz, 1F),-86.0 (dd, J = 36.0, 5.0 Hz, 1F) | null | [([-84.2, -84.2], 'dd', ['36.4Hz', '26.4Hz']), ([-86.0, -86.0], 'dd', ['36.0Hz', '5.0Hz'])] | 2 | 1 | 2 |
10.1002_anie.202315269 | CC(C)=CCOc1ccc(C=C(F)F)cc1 | 1 | 1 | [0.15078323 0.86328132 0.33857185 0.89765629] | [0.35348449 0.86250004 0.85057205 0.89375004] | 1H NMR | 600 MHz | CDCl3 | 7.29-7.24 (m, 2H), 6.91 (d, J = 8.8 Hz, 2H), 5.51 (m, J = 6.8, 1.4 Hz, 1H), 5.23 (dd, J = 26.5, 3.8 Hz, 1H), 4.53 (d, J = 6.8 Hz, 2H), 1.82 (d, J = 1.5 Hz, 3H), 1.77 (d, J = 1.3 Hz, 3H) | null | [('m', [], '2H', 7.29, 7.24), ('d', ['8.8Hz'], '2H', 6.91, 6.91), ('m', ['6.8Hz', '1.4Hz'], '1H', 5.51, 5.51), ('dd', ['26.5Hz', '3.8Hz'], '1H', 5.23, 5.23), ('d', ['6.8Hz'], '2H', 4.53, 4.53), ('d', ['1.5Hz'], '3H', 1.82, 1.82), ('d', ['1.3Hz'], '3H', 1.77, 1.77)] | 14 | 6 | 14 |
10.1002_anie.202315269 | CC(C)=CCOc1ccc(C=C(F)F)cc1 | 1 | 1 | [0.15078323 0.86328132 0.33857185 0.89765629] | [0.35348449 0.86250004 0.85057205 0.89375004] | 13C NMR | 151 MHz | CDCl3 | 157.9 (t, J =1.5 Hz), 155.9 (dd, J = 296.6, 286.4 Hz), 138.6, 128.9 (dd, J = 6.3, 3.5 Hz), 122.7 (t, J = 6.0 Hz), 119.6, 115.0, 81.7 (dd, J = 29.4, 14.1 Hz), 64.9, 26.0, 18.3 | null | [(157.9, 't', 1.5), (155.9, 'dd', [296.6, 286.4]), (138.6, None, None), (128.9, 'dd', [6.3, 3.5]), (122.7, 't', 6.0), (119.6, None, None), (115.0, None, None), (81.7, 'dd', [29.4, 14.1]), (64.9, None, None), (26.0, None, None), (18.3, None, None)] | 13 | 10 | 11 |
10.1002_anie.202315269 | CC(C)=CCOc1ccc(C=C(F)F)cc1 | 1 | 1 | [0.15078323 0.86328132 0.33857185 0.89765629] | [0.35348449 0.86250004 0.85057205 0.89375004] | 19F NMR | 565 MHz | CDCl3 | -84.6 (dd, J = 37.3, 26.4 Hz, 1F),-86.4 (dd, J = 36.8, 4.8 Hz, 1F) | null | [([-84.6, -84.6], 'dd', ['37.3Hz', '26.4Hz']), ([-86.4, -86.4], 'dd', ['36.8Hz', '4.8Hz'])] | 2 | 1 | 2 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C=CC(C)=CC=3)C3C2=CC(=CC=3)C)=CC=1 | 5 | 5 | [0.67935301 0.5417969 0.84394423 0.61523438] | [0.1474693 0.63515626 0.84836274 0.76015626] | 1H NMR | 600 MHz | CDCl3 | 8.74-8.65 (m, 1H), 8.61-8.54 (m, 1H), 7.82 (dd, J = 8.3, 4.9 Hz, 2H), 7.69 (dd, J = 8.3, 1.9 Hz, 1H), 7.58 (s, 1H), 7.45-7.42 (m, 2H), 7.35 (dd, J = 8.4, 1.7 Hz, 1H), 7.34-7.30 (m, 2H), 2.65 (s, 3H), 2.48 (s, 3H), 1.53 (s, 9H) | null | [('m', [], '1H', 8.74, 8.65), ('m', [], '1H', 8.61, 8.54), ('dd', ['8.3Hz', '4.9Hz'], '2H', 7.82, 7.82), ('dd', ['8.3Hz', '1.9Hz'], '1H', 7.69, 7.69), ('s', [], '1H', 7.58, 7.58), ('m', [], '2H', 7.45, 7.42), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.35, 7.35), ('m', [], '2H', 7.34, 7.3), ('s', [], '3H', 2.65, 2.65), ('s', []... | 26 | 12 | 26 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C=CC(C)=CC=3)C3C2=CC(=CC=3)C)=CC=1 | 5 | 5 | [0.67935301 0.5417969 0.84394423 0.61523438] | [0.1474693 0.63515626 0.84836274 0.76015626] | 13C NMR | 151 MHz | CDCl3 | 149.2, 138.3, 138.1, 137.0, 136.0, 131.0, 130.1, 129.8, 129.4, 129.3, 129.1, 128.4, 128.1, 127.0, 126.3, 125.2, 122.6, 118.2, 35.4, 31.7, 22.1, 21.4 | null | [(149.2, None, None), (138.3, None, None), (138.1, None, None), (137.0, None, None), (136.0, None, None), (131.0, None, None), (130.1, None, None), (129.8, None, None), (129.4, None, None), (129.3, None, None), (129.1, None, None), (128.4, None, None), (128.1, None, None), (127.0, None, None), (126.3, None, None), (125... | 26 | 22 | 22 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3ccc(Cl)cc3c3cc(C)ccc23)cc1 | 6 | 6 | [0.68708546 0.1357422 0.84394423 0.21035158] | [0.14691699 0.23027345 0.84836274 0.35410158] | 1H NMR | 600 MHz | CDCl3 | 8.66 (s, 1H), 8.46 (s, 1H), 7.84 (d, J = 8.4 Hz, 1H), 7.79 (d, J = 8.4 Hz, 1H), 7.56 (s, 1H), 7.54 (dd, J = 8.5, 2.0 Hz, 1H), 7.42 (d, J = 7.7 Hz, 2H), 7.39 (dd, J = 8.4, 1.7 Hz, 1H), 7.33 (d, J = 7.6 Hz, 2H), 2.63 (s, 3H), 2.48 (s, 3H) | null | [('s', [], '1H', 8.66, 8.66), ('s', [], '1H', 8.46, 8.46), ('d', ['8.4Hz'], '1H', 7.84, 7.84), ('d', ['8.4Hz'], '1H', 7.79, 7.79), ('s', [], '1H', 7.56, 7.56), ('dd', ['8.5Hz', '2.0Hz'], '1H', 7.54, 7.54), ('d', ['7.7Hz'], '2H', 7.42, 7.42), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.39, 7.39), ('d', ['7.6Hz'], '2H', 7.33, 7.3... | 17 | 11 | 17 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3ccc(Cl)cc3c3cc(C)ccc23)cc1 | 6 | 6 | [0.68708546 0.1357422 0.84394423 0.21035158] | [0.14691699 0.23027345 0.84836274 0.35410158] | 13C NMR | 151 MHz | CDCl3 | 139.1, 137.7, 137.3, 136.7, 132.3, 130.8, 130.2, 130.1, 130.0, 129.9, 129.5, 129.2, 128.9, 127.3, 127.1, 125.9, 122.8, 122.3, 22.1, 21.4 | null | [(139.1, None, None), (137.7, None, None), (137.3, None, None), (136.7, None, None), (132.3, None, None), (130.8, None, None), (130.2, None, None), (130.1, None, None), (130.0, None, None), (129.9, None, None), (129.5, None, None), (129.2, None, None), (128.9, None, None), (127.3, None, None), (127.1, None, None), (125... | 22 | 20 | 20 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3ccc(Br)cc3c3cc(C)ccc23)cc1 | 6 | 6 | [0.6876378 0.53203128 0.84449651 0.60546879] | [0.14691699 0.62656256 0.84836274 0.75078128] | 1H NMR | 600 MHz | CDCl3 | 8.83 (d, J = 1.9 Hz, 1H), 8.46 (s, 1H), 7.84 (d, J = 8.3 Hz, 1H), 7.72 (d, J = 8.4 Hz, 1H), 7.67 (dd, J = 8.4, 1.9 Hz, 1H), 7.55 (s, 1H), 7.43-7.41 (m, 2H), 7.39 (dd, J = 8.4, 1.7 Hz, 1H), 7.33 (d, J = 7.7 Hz, 2H), 2.63 (s, 3H), 2.48 (s, 3H) | null | [('d', ['1.9Hz'], '1H', 8.83, 8.83), ('s', [], '1H', 8.46, 8.46), ('d', ['8.3Hz'], '1H', 7.84, 7.84), ('d', ['8.4Hz'], '1H', 7.72, 7.72), ('dd', ['8.4Hz', '1.9Hz'], '1H', 7.67, 7.67), ('s', [], '1H', 7.55, 7.55), ('m', [], '2H', 7.43, 7.41), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.39, 7.39), ('d', ['7.7Hz'], '2H', 7.33, 7.3... | 17 | 11 | 17 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3ccc(Br)cc3c3cc(C)ccc23)cc1 | 6 | 6 | [0.6876378 0.53203128 0.84449651 0.60546879] | [0.14691699 0.62656256 0.84836274 0.75078128] | 13C NMR | 151 MHz | CDCl3 | 139.3, 137.7, 137.3, 136.7, 131.2, 130.5, 130.2, 129.9, 129.9, 129.8, 129.5, 129.2, 128.9, 127.0, 125.9, 125.5, 122.8, 120.5, 22.1, 21.4 | null | [(139.3, None, None), (137.7, None, None), (137.3, None, None), (136.7, None, None), (131.2, None, None), (130.5, None, None), (130.2, None, None), (129.9, None, None), (129.9, None, None), (129.8, None, None), (129.5, None, None), (129.2, None, None), (128.9, None, None), (127.0, None, None), (125.9, None, None), (125... | 22 | 20 | 20 |
10.1002_anie.202315269 | C(c1ccc2cc(-c3ccc(C)cc3)c3ccc(C)cc3c2c1)(OC)=O | 7 | 7 | [0.66388806 0.13789063 0.84504885 0.20859375] | [0.14691699 0.23046877 0.84836274 0.35390626] | 1H NMR | 600 MHz | CDCl3 | 9.46-9.43 (m, 1H), 8.66 (s, 1H), 8.20 (dd, J = 8.3, 1.6 Hz, 1H), 7.90 (d, J = 8.3 Hz, 1H), 7.85 (d, J = 8.4 Hz, 1H), 7.62 (s, 1H), 7.45-7.42 (m, 2H), 7.40 (dd, J = 8.4, 1.7 Hz, 1H), 7.34 (d, J = 7.7 Hz, 2H), 4.05 (s, 3H), 2.65 (s, 3H), 2.48 (s, 3H) | null | [('m', [], '1H', 9.46, 9.43), ('s', [], '1H', 8.66, 8.66), ('dd', ['8.3Hz', '1.6Hz'], '1H', 8.2, 8.2), ('d', ['8.3Hz'], '1H', 7.9, 7.9), ('d', ['8.4Hz'], '1H', 7.85, 7.85), ('s', [], '1H', 7.62, 7.62), ('m', [], '2H', 7.45, 7.42), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.4, 7.4), ('d', ['7.7Hz'], '2H', 7.34, 7.34), ('s', [],... | 20 | 12 | 20 |
10.1002_anie.202315269 | C(c1ccc2cc(-c3ccc(C)cc3)c3ccc(C)cc3c2c1)(OC)=O | 7 | 7 | [0.66388806 0.13789063 0.84504885 0.20859375] | [0.14691699 0.23046877 0.84836274 0.35390626] | 13C NMR | 151 MHz | CDCl3 | 167.7, 141.4, 137.6, 137.5, 137.1, 134.8, 131.1, 129.9, 129.4, 129.2, 129.2, 128.8, 128.8, 127.5, 127.2, 126.7, 126.0, 125.3, 123.0, 52.5, 22.1, 21.5 | null | [(167.7, None, None), (141.4, None, None), (137.6, None, None), (137.5, None, None), (137.1, None, None), (134.8, None, None), (131.1, None, None), (129.9, None, None), (129.4, None, None), (129.2, None, None), (129.2, None, None), (128.8, None, None), (128.8, None, None), (127.5, None, None), (127.2, None, None), (126... | 24 | 22 | 22 |
10.1002_anie.202315269 | O(c1ccc2cc(-c3ccc(C)cc3)c3ccc(C)cc3c2c1)C | 7 | 7 | [0.67935301 0.53359376 0.84283955 0.60546879] | [0.1474693 0.62734376 0.84836274 0.75078128] | 1H NMR | 600 MHz | CDCl3 | 8.44 (dd, J = 1.9, 1.0 Hz, 1H), 8.05 (d, J = 2.4 Hz, 1H), 7.82 (d, J = 8.4 Hz, 1H), 7.77 (d, J = 8.6 Hz, 1H), 7.53 (s, 1H), 7.43-7.41 (m, 2H), 7.34 (dd, J = 8.5, 1.7 Hz, 1H), 7.30 (d, J = 7.6 Hz, 2H), 7.23 (dd, J = 8.7, 2.5 Hz, 1H), 4.03 (s, 3H), 2.61 (s, 3H), 2.45 (s, 3H) | null | [('dd', ['1.9Hz', '1.0Hz'], '1H', 8.44, 8.44), ('d', ['2.4Hz'], '1H', 8.05, 8.05), ('d', ['8.4Hz'], '1H', 7.82, 7.82), ('d', ['8.6Hz'], '1H', 7.77, 7.77), ('s', [], '1H', 7.53, 7.53), ('m', [], '2H', 7.43, 7.41), ('dd', ['8.5Hz', '1.7Hz'], '1H', 7.34, 7.34), ('d', ['7.6Hz'], '2H', 7.3, 7.3), ('dd', ['8.7Hz', '2.5Hz'], ... | 20 | 12 | 20 |
10.1002_anie.202315269 | O(c1ccc2cc(-c3ccc(C)cc3)c3ccc(C)cc3c2c1)C | 7 | 7 | [0.67935301 0.53359376 0.84283955 0.60546879] | [0.1474693 0.62734376 0.84836274 0.75078128] | 13C NMR | 151 MHz | CDCl3 | 158.4, 138.3, 136.9, 136.4, 135.8, 131.0, 130.2, 130.2, 130.1, 129.5, 129.1, 128.4, 127.0, 126.6, 126.3, 122.7, 117.0, 103.8, 55.7, 22.1, 21.4 | null | [(158.4, None, None), (138.3, None, None), (136.9, None, None), (136.4, None, None), (135.8, None, None), (131.0, None, None), (130.2, None, None), (130.2, None, None), (130.1, None, None), (129.5, None, None), (129.1, None, None), (128.4, None, None), (127.0, None, None), (126.6, None, None), (126.3, None, None), (122... | 23 | 21 | 21 |
10.1002_anie.202315269 | O(C)C1C(OC)=CC2C(=CC(=C3C=2C=C(C)C=C3)C2C=CC(C)=CC=2)C=1 | 8 | 8 | [0.67824838 0.14296876 0.84394423 0.22949221] | [0.14691699 0.24824219 0.84836274 0.37246095] | 1H NMR | 600 MHz | CDCl3 | 8.37 (d, J = 1.7 Hz, 1H), 8.02 (s, 1H), 7.83 (d, J = 8.4 Hz, 1H), 7.52 (s, 1H), 7.43 (d, J = 7.9 Hz, 2H), 7.33-7.29 (m, 3H), 7.22 (s, 1H), 4.16 (s, 3H), 4.04 (s, 3H), 2.63 (s, 3H), 2.47 (s, 3H) | null | [('d', ['1.7Hz'], '1H', 8.37, 8.37), ('s', [], '1H', 8.02, 8.02), ('d', ['8.4Hz'], '1H', 7.83, 7.83), ('s', [], '1H', 7.52, 7.52), ('d', ['7.9Hz'], '2H', 7.43, 7.43), ('m', [], '3H', 7.33, 7.29), ('s', [], '1H', 7.22, 7.22), ('s', [], '3H', 4.16, 4.16), ('s', [], '3H', 4.04, 4.04), ('s', [], '3H', 2.63, 2.63), ('s', []... | 22 | 12 | 22 |
10.1002_anie.202315269 | O(C)C1C(OC)=CC2C(=CC(=C3C=2C=C(C)C=C3)C2C=CC(C)=CC=2)C=1 | 8 | 8 | [0.67824838 0.14296876 0.84394423 0.22949221] | [0.14691699 0.24824219 0.84836274 0.37246095] | 13C NMR | 151 MHz | CDCl3 | 149.5, 149.3, 138.3, 137.1, 136.9, 135.9, 130.2, 130.1, 129.1, 128.5, 127.4, 127.0 (2C), 125.8, 124.2, 122.2, 108.3, 103.2, 56.2, 56.0, 22.1, 21.4 | null | [(149.5, None, None), (149.3, None, None), (138.3, None, None), (137.1, None, None), (136.9, None, None), (135.9, None, None), (130.2, None, None), (130.1, None, None), (129.1, None, None), (128.5, None, None), (127.4, None, None), (127.0, None, None), (125.8, None, None), (124.2, None, None), (122.2, None, None), (108... | 24 | 22 | 21 |
10.1002_anie.202315269 | O(c1cc(OC)c2c(c1)cc(-c1ccc(C)cc1)c1ccc(C)cc21)C | 8 | 8 | [0.67935301 0.55546878 0.84504885 0.64218756] | [0.1474693 0.66328129 0.84836274 0.78750001] | 1H NMR | 400 MHz | CDCl3 | 9.45 (s, 1H), 7.78 (d, J = 8.3 Hz, 1H), 7.50 (s, 1H), 7.42 (d, J = 7.7 Hz, 2H), 7.33-7.27 (m, 3H), 6.88 (d, J = 2.4 Hz, 1H), 6.78 (d, J = 2.5 Hz, 1H), 4.13 (s, 3H), 3.95 (s, 3H), 2.60 (s, 3H), 2.47 (s, 3H) | null | [('s', [], '1H', 9.45, 9.45), ('d', ['8.3Hz'], '1H', 7.78, 7.78), ('s', [], '1H', 7.5, 7.5), ('d', ['7.7Hz'], '2H', 7.42, 7.42), ('m', [], '3H', 7.33, 7.27), ('d', ['2.4Hz'], '1H', 6.88, 6.88), ('d', ['2.5Hz'], '1H', 6.78, 6.78), ('s', [], '3H', 4.13, 4.13), ('s', [], '3H', 3.95, 3.95), ('s', [], '3H', 2.6, 2.6), ('s',... | 22 | 12 | 22 |
10.1002_anie.202315269 | O(c1cc(OC)c2c(c1)cc(-c1ccc(C)cc1)c1ccc(C)cc21)C | 8 | 8 | [0.67935301 0.55546878 0.84504885 0.64218756] | [0.1474693 0.66328129 0.84836274 0.78750001] | 13C NMR | 151 MHz | CDCl3 | 159.9, 158.3, 139.9, 138.3, 137.0, 136.0, 135.3, 131.2, 130.0, 129.0, 128.9, 127.6, 126.8, 126.5, 126.5, 115.2, 101.4, 99.3, 55.9, 55.5, 22.5, 21.4 | null | [(159.9, None, None), (158.3, None, None), (139.9, None, None), (138.3, None, None), (137.0, None, None), (136.0, None, None), (135.3, None, None), (131.2, None, None), (130.0, None, None), (129.0, None, None), (128.9, None, None), (127.6, None, None), (126.8, None, None), (126.5, None, None), (126.5, None, None), (115... | 24 | 22 | 22 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3cc4c(cc3c3cc(C)ccc23)OCCO4)cc1 | 9 | 9 | [0.6903994 0.13691407 0.84504885 0.22832032] | [0.1474693 0.24843751 0.84836274 0.37265627] | 1H NMR | 600 MHz | CDCl3 | 8.33 (d, J = 1.7 Hz, 1H), 8.11 (s, 1H), 7.77 (d, J = 8.3 Hz, 1H), 7.44-7.40 (m, 3H), 7.32-7.27 (m, 4H), 4.42-4.38 (m, 4H), 2.59 (s, 3H), 2.47 (s, 3H) | null | [('d', ['1.7Hz'], '1H', 8.33, 8.33), ('s', [], '1H', 8.11, 8.11), ('d', ['8.3Hz'], '1H', 7.77, 7.77), ('m', [], '3H', 7.44, 7.4), ('m', [], '4H', 7.32, 7.27), ('m', [], '4H', 4.42, 4.38), ('s', [], '3H', 2.59, 2.59), ('s', [], '3H', 2.47, 2.47)] | 20 | 12 | 20 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3cc4c(cc3c3cc(C)ccc23)OCCO4)cc1 | 9 | 9 | [0.6903994 0.13691407 0.84504885 0.22832032] | [0.1474693 0.24843751 0.84836274 0.37265627] | 13C NMR | 151 MHz | CDCl3 | 144.0, 143.8, 138.3, 137.2, 136.9, 135.9, 130.3, 130.1, 129.1, 128.5, 127.6, 127.5, 126.9, 125.6, 125.1, 122.6, 114.3, 109.6, 64.7, 22.1, 21.4 | null | [(144.0, None, None), (143.8, None, None), (138.3, None, None), (137.2, None, None), (136.9, None, None), (135.9, None, None), (130.3, None, None), (130.1, None, None), (129.1, None, None), (128.5, None, None), (127.6, None, None), (127.5, None, None), (126.9, None, None), (125.6, None, None), (125.1, None, None), (122... | 24 | 22 | 21 |
10.1002_anie.202315269 | c1(COc2ccc3cc(-c4ccc(C)cc4)c4ccc(C)cc4c3c2)ccccc1 | 9 | 9 | [0.66609731 0.53828129 0.84504885 0.61015628] | [0.1474693 0.64492189 0.84836274 0.76914068] | 1H NMR | 600 MHz | CDCl3 | 8.45 (s, 1H), 8.19 (d, J = 2.5 Hz, 1H), 7.83 (dd, J = 24.8, 8.5 Hz, 2H), 7.60-7.55 (m, 3H), 7.48-7.43 (m, 4H), 7.40-7.36 (m, 2H), 7.35-7.32 (m, 3H), 5.33 (s, 2H), 2.64 (s, 3H), 2.49 (s, 3H) | null | [('s', [], '1H', 8.45, 8.45), ('d', ['2.5Hz'], '1H', 8.19, 8.19), ('dd', ['24.8Hz', '8.5Hz'], '2H', 7.83, 7.83), ('m', [], '3H', 7.6, 7.55), ('m', [], '4H', 7.48, 7.43), ('m', [], '2H', 7.4, 7.36), ('m', [], '3H', 7.35, 7.32), ('s', [], '2H', 5.33, 5.33), ('s', [], '3H', 2.64, 2.64), ('s', [], '3H', 2.49, 2.49)] | 24 | 15 | 24 |
10.1002_anie.202315269 | c1(COc2ccc3cc(-c4ccc(C)cc4)c4ccc(C)cc4c3c2)ccccc1 | 9 | 9 | [0.66609731 0.53828129 0.84504885 0.61015628] | [0.1474693 0.64492189 0.84836274 0.76914068] | 13C NMR | 151 MHz | CDCl3 | 157.6, 138.2, 137.1, 136.9, 136.5, 135.8, 131.0, 130.2, 130.2, 130.1, 129.5, 129.1, 128.8, 128.4, 128.2, 127.9, 127.0, 126.8, 126.3, 122.8, 117.4, 105.5, 70.5, 22.1, 21.4 | null | [(157.6, None, None), (138.2, None, None), (137.1, None, None), (136.9, None, None), (136.5, None, None), (135.8, None, None), (131.0, None, None), (130.2, None, None), (130.2, None, None), (130.1, None, None), (129.5, None, None), (129.1, None, None), (128.8, None, None), (128.4, None, None), (128.2, None, None), (127... | 29 | 25 | 25 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3ccc(OCc4ccc(F)cc4)cc3c3cc(C)ccc23)cc1 | 10 | 10 | [0.63295814 0.13808594 0.84504885 0.22578126] | [0.14691699 0.24843751 0.84836274 0.37265627] | 1H NMR | 600 MHz | CDCl3 | 8.43 (s, 1H), 8.15 (d, J = 2.4 Hz, 1H), 7.81 (dd, J = 17.6, 8.5 Hz, 2H), 7.56-7.51 (m, 3H), 7.44-7.41 (m, 2H), 7.36 (dd, J = 8.5, 1.7 Hz, 1H), 7.33-7.29 (m, 3H), 7.15-7.10 (m, 2H), 5.27 (s, 2H), 2.62 (s, 3H), 2.47 (s, 3H) | null | [('s', [], '1H', 8.43, 8.43), ('d', ['2.4Hz'], '1H', 8.15, 8.15), ('dd', ['17.6Hz', '8.5Hz'], '2H', 7.81, 7.81), ('m', [], '3H', 7.56, 7.51), ('m', [], '2H', 7.44, 7.41), ('dd', ['8.5Hz', '1.7Hz'], '1H', 7.36, 7.36), ('m', [], '3H', 7.33, 7.29), ('m', [], '2H', 7.15, 7.1), ('s', [], '2H', 5.27, 5.27), ('s', [], '3H', 2... | 23 | 14 | 23 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3ccc(OCc4ccc(F)cc4)cc3c3cc(C)ccc23)cc1 | 10 | 10 | [0.63295814 0.13808594 0.84504885 0.22578126] | [0.14691699 0.24843751 0.84836274 0.37265627] | 13C NMR | 151 MHz | CDCl3 | 162.6 (d, J = 246.4 Hz), 157.3, 138.0, 136.8, 136.5, 135.7, 135.0, 132.7 (d, J = 3.0 Hz), 130.8, 130.1, 130.0, 129.6 (d, J = 8.2 Hz), 129.4, 129.0, 128.3, 126.9, 126.8, 126.1, 122.6, 117.2, 115.6 (d, J = 21.7 Hz), 105.3, 69.7, 22.0, 21.3 | null | [(162.6, 'd', 246.4), (157.3, None, None), (138.0, None, None), (136.8, None, None), (136.5, None, None), (135.7, None, None), (135.0, None, None), (132.7, 'd', 3.0), (130.8, None, None), (130.1, None, None), (130.0, None, None), (129.6, 'd', 8.2), (129.4, None, None), (129.0, None, None), (128.3, None, None), (126.9, ... | 29 | 25 | 25 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3ccc(OCc4ccc(Br)cc4)cc3c3cc(C)ccc23)cc1 | 10 | 10 | [0.62964426 0.57148442 0.84394423 0.65976568] | [0.14691699 0.68125006 0.84836274 0.80625006] | 1H NMR | 600 MHz | CDCl3 | 8.42 (s, 1H), 8.14 (d, J = 2.5 Hz, 1H), 7.81 (dd, J = 17.8, 8.5 Hz, 2H), 7.57-7.54 (m, 3H), 7.45-7.41 (m, 4H), 7.36 (dd, J = 8.4, 1.7 Hz, 1H), 7.33-7.28 (m, 3H), 5.26 (s, 2H), 2.62 (s, 3H), 2.47 (s, 3H) | null | [('s', [], '1H', 8.42, 8.42), ('d', ['2.5Hz'], '1H', 8.14, 8.14), ('dd', ['17.8Hz', '8.5Hz'], '2H', 7.81, 7.81), ('m', [], '3H', 7.57, 7.54), ('m', [], '4H', 7.45, 7.41), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.36, 7.36), ('m', [], '3H', 7.33, 7.28), ('s', [], '2H', 5.26, 5.26), ('s', [], '3H', 2.62, 2.62), ('s', [], '3H', ... | 23 | 14 | 23 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3ccc(OCc4ccc(Br)cc4)cc3c3cc(C)ccc23)cc1 | 10 | 10 | [0.62964426 0.57148442 0.84394423 0.65976568] | [0.14691699 0.68125006 0.84836274 0.80625006] | 13C NMR | 151 MHz | CDCl3 | 157.3, 138.2, 137.0, 136.7, 136.1, 135.9, 131.9, 130.9, 130.3, 130.2, 130.1, 129.6, 129.4, 129.1, 128.5, 127.0, 126.9, 126.2, 122.7, 122.2, 117.3, 105.5, 69.7 | null | [(157.3, None, None), (138.2, None, None), (137.0, None, None), (136.7, None, None), (136.1, None, None), (135.9, None, None), (131.9, None, None), (130.9, None, None), (130.3, None, None), (130.2, None, None), (130.1, None, None), (129.6, None, None), (129.4, None, None), (129.1, None, None), (128.5, None, None), (127... | 29 | 25 | 23 |
10.1002_anie.202315269 | C#CCOc1ccc2cc(-c3ccc(C)cc3)c3ccc(C)cc3c2c1 | 11 | 11 | [0.65781252 0.17617189 0.84449651 0.25429689] | [0.14691699 0.28242188 0.84836274 0.40664064] | 1H NMR | 600 MHz | CDCl3 | 8.44 (s, 1H), 8.17 (d, J = 2.5 Hz, 1H), 7.82 (dd, J = 10.3, 8.5 Hz, 2H), 7.55 (s, 1H), 7.42 (d, J = 7.9 Hz, 2H), 7.36 (dd, J = 8.5, 1.7 Hz, 1H), 7.33-7.29 (m, 3H), 4.94 (d, J = 2.4 Hz, 2H), 2.63 (s, 3H), 2.60 (t, J = 2.4 Hz, 1H), 2.47 (s, 3H) | null | [('s', [], '1H', 8.44, 8.44), ('d', ['2.5Hz'], '1H', 8.17, 8.17), ('dd', ['10.3Hz', '8.5Hz'], '2H', 7.82, 7.82), ('s', [], '1H', 7.55, 7.55), ('d', ['7.9Hz'], '2H', 7.42, 7.42), ('dd', ['8.5Hz', '1.7Hz'], '1H', 7.36, 7.36), ('m', [], '3H', 7.33, 7.29), ('d', ['2.4Hz'], '2H', 4.94, 4.94), ('s', [], '3H', 2.63, 2.63), ('... | 20 | 13 | 20 |
10.1002_anie.202315269 | C#CCOc1ccc2cc(-c3ccc(C)cc3)c3ccc(C)cc3c2c1 | 11 | 11 | [0.65781252 0.17617189 0.84449651 0.25429689] | [0.14691699 0.28242188 0.84836274 0.40664064] | 13C NMR | 151 MHz | CDCl3 | 156.3, 138.2, 137.0, 136.9, 136.0, 130.8, 130.2, 130.2, 130.1, 129.6, 129.1, 128.5, 127.2, 127.0, 126.2, 122.8, 117.3, 105.8, 78.7, 75.9, 56.3, 22.1, 21.4 | null | [(156.3, None, None), (138.2, None, None), (137.0, None, None), (136.9, None, None), (136.0, None, None), (130.8, None, None), (130.2, None, None), (130.2, None, None), (130.1, None, None), (129.6, None, None), (129.1, None, None), (128.5, None, None), (127.2, None, None), (127.0, None, None), (126.2, None, None), (122... | 25 | 23 | 23 |
10.1002_anie.202315269 | CC(C)=CCOc1ccc2cc(-c3ccc(C)cc3)c3ccc(C)cc3c2c1 | 11 | 11 | [0.65284167 0.58671878 0.84504885 0.65703128] | [0.14691699 0.67890629 0.84836274 0.80312501] | 1H NMR | 600 MHz | CDCl3 | 8.45 (s, 1H), 8.09 (d, J = 2.4 Hz, 1H), 7.83 (d, J = 8.4 Hz, 1H), 7.78 (d, J = 8.6 Hz, 1H), 7.54 (s, 1H), 7.43 (d, J = 7.9 Hz, 2H), 7.35 (dd, J = 8.4, 1.7 Hz, 1H), 7.31 (d, J = 7.8 Hz, 2H), 7.29-7.24 (m, 1H), 5.65-5.61 (m, 1H), 4.77 (d, J = 6.8 Hz, 2H), 2.63 (s, 3H), 2.47 (s, 3H), 1.86 (t, J = 1.6 Hz, 6H) | null | [('s', [], '1H', 8.45, 8.45), ('d', ['2.4Hz'], '1H', 8.09, 8.09), ('d', ['8.4Hz'], '1H', 7.83, 7.83), ('d', ['8.6Hz'], '1H', 7.78, 7.78), ('s', [], '1H', 7.54, 7.54), ('d', ['7.9Hz'], '2H', 7.43, 7.43), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.35, 7.35), ('d', ['7.8Hz'], '2H', 7.31, 7.31), ('m', [], '1H', 7.29, 7.24), ('m', ... | 26 | 14 | 26 |
10.1002_anie.202315269 | CC(C)=CCOc1ccc2cc(-c3ccc(C)cc3)c3ccc(C)cc3c2c1 | 11 | 11 | [0.65284167 0.58671878 0.84504885 0.65703128] | [0.14691699 0.67890629 0.84836274 0.80312501] | 13C NMR | 151 MHz | CDCl3 | 157.7, 138.7, 138.3, 136.9, 136.3, 135.7, 130.9, 130.1, 130.1, 129.5, 129.1, 128.3, 128.2, 127.0, 126.6, 126.3, 122.8, 119.8, 117.5, 105.0, 65.2, 26.1, 22.1, 21.4, 18.5 | null | [(157.7, None, None), (138.7, None, None), (138.3, None, None), (136.9, None, None), (136.3, None, None), (135.7, None, None), (130.9, None, None), (130.1, None, None), (130.1, None, None), (129.5, None, None), (129.1, None, None), (128.3, None, None), (128.2, None, None), (127.0, None, None), (126.6, None, None), (126... | 27 | 24 | 25 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3cc(Cl)ccc3c3cc(C)ccc23)cc1 | 12 | 12 | [0.67935301 0.1897461 0.84504885 0.28359376] | [0.14691699 0.30117189 0.84836274 0.42539065] | 1H NMR | 600 MHz | CDCl3 | 8.62 (d, J = 8.8 Hz, 1H), 8.49-8.48 (m, 1H), 7.85-7.82 (m, 2H), 7.57 (dd, J = 8.9, 2.3 Hz, 1H), 7.51 (s, 1H), 7.43-7.41 (m, 2H), 7.38 (dd, J = 8.4, 1.7 Hz, 1H), 7.34 (d, J = 7.7 Hz, 2H), 2.63 (s, 3H), 2.49 (s, 3H) | null | [('d', ['8.8Hz'], '1H', 8.62, 8.62), ('m', [], '1H', 8.49, 8.48), ('m', [], '2H', 7.85, 7.82), ('dd', ['8.9Hz', '2.3Hz'], '1H', 7.57, 7.57), ('s', [], '1H', 7.51, 7.51), ('m', [], '2H', 7.43, 7.41), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.38, 7.38), ('d', ['7.7Hz'], '2H', 7.34, 7.34), ('s', [], '3H', 2.63, 2.63), ('s', [], ... | 17 | 11 | 17 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3cc(Cl)ccc3c3cc(C)ccc23)cc1 | 12 | 12 | [0.67935301 0.1897461 0.84504885 0.28359376] | [0.14691699 0.30117189 0.84836274 0.42539065] | 13C NMR | 151 MHz | CDCl3 | 140.1, 137.7, 137.4, 136.7, 133.0, 132.5, 130.5, 129.9, 129.2, 129.2, 128.6, 128.1, 127.5, 127.2, 126.8, 125.5, 124.3, 122.7, 22.1, 21.4 | null | [(140.1, None, None), (137.7, None, None), (137.4, None, None), (136.7, None, None), (133.0, None, None), (132.5, None, None), (130.5, None, None), (129.9, None, None), (129.2, None, None), (129.2, None, None), (128.6, None, None), (128.1, None, None), (127.5, None, None), (127.2, None, None), (126.8, None, None), (125... | 22 | 20 | 20 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3cc(Br)ccc3c3cc(C)ccc23)cc1 | 12 | 12 | [0.68045764 0.60546879 0.84394423 0.69765626] | [0.1474693 0.71640631 0.84781045 0.83984382] | 1H NMR | 600 MHz | CDCl3 | 8.55 (d, J = 8.8 Hz, 1H), 8.49 (d, J = 1.6 Hz, 1H), 8.00 (d, J = 2.1 Hz, 1H), 7.83 (d, J = 8.3 Hz, 1H), 7.70 (dd, J = 8.8, 2.1 Hz, 1H), 7.50 (s, 1H), 7.43-7.40 (m, 2H), 7.38 (dd, J = 8.4, 1.7 Hz, 1H), 7.33 (d, J = 7.7 Hz, 2H), 2.62 (s, 3H), 2.48 (s, 3H) | null | [('d', ['8.8Hz'], '1H', 8.55, 8.55), ('d', ['1.6Hz'], '1H', 8.49, 8.49), ('d', ['2.1Hz'], '1H', 8.0, 8.0), ('d', ['8.3Hz'], '1H', 7.83, 7.83), ('dd', ['8.8Hz', '2.1Hz'], '1H', 7.7, 7.7), ('s', [], '1H', 7.5, 7.5), ('m', [], '2H', 7.43, 7.4), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.38, 7.38), ('d', ['7.7Hz'], '2H', 7.33, 7.3... | 17 | 11 | 17 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3cc(Br)ccc3c3cc(C)ccc23)cc1 | 12 | 12 | [0.68045764 0.60546879 0.84394423 0.69765626] | [0.1474693 0.71640631 0.84781045 0.83984382] | 13C NMR | 151 MHz | CDCl3 | 140.1, 137.6, 137.4, 136.8, 133.4, 130.7, 130.5, 129.9, 129.4, 129.2, 129.2, 128.7, 128.4, 127.2, 125.4, 124.5, 122.7, 120.7, 22.1, 21.4 | null | [(140.1, None, None), (137.6, None, None), (137.4, None, None), (136.8, None, None), (133.4, None, None), (130.7, None, None), (130.5, None, None), (129.9, None, None), (129.4, None, None), (129.2, None, None), (129.2, None, None), (128.7, None, None), (128.4, None, None), (127.2, None, None), (125.4, None, None), (124... | 22 | 20 | 20 |
10.1002_anie.202315269 | C(c1ccc2c(c1)cc(-c1ccc(C)cc1)c1ccc(C)cc21)#N | 13 | 13 | [0.68045764 0.20976564 0.84394423 0.30351564] | [0.14691699 0.31953126 0.84836274 0.44375001] | 1H NMR | 600 MHz | CDCl3 | 8.77 (d, J = 8.6 Hz, 1H), 8.53 (s, 1H), 8.20 (d, J = 1.7 Hz, 1H), 7.87 (d, J = 8.4 Hz, 1H), 7.80 (dd, J = 8.6, 1.7 Hz, 1H), 7.59 (s, 1H), 7.45 (dd, J = 8.5, 1.7 Hz, 1H), 7.42-7.40 (m, 2H), 7.34 (d, J = 7.7 Hz, 2H), 2.64 (s, 3H), 2.48 (s, 3H) | null | [('d', ['8.6Hz'], '1H', 8.77, 8.77), ('s', [], '1H', 8.53, 8.53), ('d', ['1.7Hz'], '1H', 8.2, 8.2), ('d', ['8.4Hz'], '1H', 7.87, 7.87), ('dd', ['8.6Hz', '1.7Hz'], '1H', 7.8, 7.8), ('s', [], '1H', 7.59, 7.59), ('dd', ['8.5Hz', '1.7Hz'], '1H', 7.45, 7.45), ('m', [], '2H', 7.42, 7.4), ('d', ['7.7Hz'], '2H', 7.34, 7.34), (... | 17 | 11 | 17 |
10.1002_anie.202315269 | C(c1ccc2c(c1)cc(-c1ccc(C)cc1)c1ccc(C)cc21)#N | 13 | 13 | [0.68045764 0.20976564 0.84394423 0.30351564] | [0.14691699 0.31953126 0.84836274 0.44375001] | 13C NMR | 151 MHz | CDCl3 | 140.9, 137.7, 137.3, 137.1, 133.8, 132.2, 131.4, 130.4, 130.0, 129.9, 129.3, 127.7, 127.4, 125.5, 123.8, 123.3, 119.4, 110.0, 22.1, 21.4 | null | [(140.9, None, None), (137.7, None, None), (137.3, None, None), (137.1, None, None), (133.8, None, None), (132.2, None, None), (131.4, None, None), (130.4, None, None), (130.0, None, None), (129.9, None, None), (129.3, None, None), (127.7, None, None), (127.4, None, None), (125.5, None, None), (123.8, None, None), (123... | 23 | 21 | 20 |
10.1002_anie.202315269 | C(c1ccc2c(c1)cc(-c1ccc(C)cc1)c1ccc(C)cc21)(OC)=O | 13 | 13 | [0.67935301 0.625 0.84283955 0.71875007] | [0.1474693 0.73515628 0.84781045 0.85859379] | 1H NMR | 600 MHz | CDCl3 | 8.74 (d, J = 8.7 Hz, 1H), 8.60-8.57 (m, 2H), 8.23 (dd, J = 8.7, 1.8 Hz, 1H), 7.86 (d, J = 8.4 Hz, 1H), 7.67 (s, 1H), 7.44-7.41 (m, 3H), 7.35-7.33 (m, 2H), 4.01 (s, 3H), 2.64 (s, 3H), 2.48 (s, 3H) | null | [('d', ['8.7Hz'], '1H', 8.74, 8.74), ('m', [], '2H', 8.6, 8.57), ('dd', ['8.7Hz', '1.8Hz'], '1H', 8.23, 8.23), ('d', ['8.4Hz'], '1H', 7.86, 7.86), ('s', [], '1H', 7.67, 7.67), ('m', [], '3H', 7.44, 7.41), ('m', [], '2H', 7.35, 7.33), ('s', [], '3H', 4.01, 4.01), ('s', [], '3H', 2.64, 2.64), ('s', [], '3H', 2.48, 2.48)] | 20 | 12 | 20 |
10.1002_anie.202315269 | C(c1ccc2c(c1)cc(-c1ccc(C)cc1)c1ccc(C)cc21)(OC)=O | 13 | 13 | [0.67935301 0.625 0.84283955 0.71875007] | [0.1474693 0.73515628 0.84781045 0.85859379] | 13C NMR | 151 MHz | CDCl3 | 167.4, 139.7, 137.6, 137.4, 136.7, 132.7, 131.3, 131.1, 130.3, 130.2, 130.0, 129.4, 129.2, 128.1, 127.1, 126.8, 126.2, 123.4, 122.9, 52.4, 22.1, 21.4 | null | [(167.4, None, None), (139.7, None, None), (137.6, None, None), (137.4, None, None), (136.7, None, None), (132.7, None, None), (131.3, None, None), (131.1, None, None), (130.3, None, None), (130.2, None, None), (130.0, None, None), (129.4, None, None), (129.2, None, None), (128.1, None, None), (127.1, None, None), (126... | 24 | 22 | 22 |
10.1002_anie.202315269 | O(c1ccc2c(c1)cc(-c1ccc(C)cc1)c1ccc(C)cc21)C | 14 | 14 | [0.68045764 0.22890626 0.84394423 0.32109378] | [0.14802163 0.33789066 0.84836274 0.46171878] | 1H NMR | 600 MHz | CDCl3 | 8.61 (d, J = 9.0 Hz, 1H), 8.47-8.45 (m, 1H), 7.80 (d, J = 8.3 Hz, 1H), 7.54 (s, 1H), 7.44 (d, J = 8.0 Hz, 2H), 7.33 (d, J = 7.8 Hz, 2H), 7.30 (dd, J = 8.4, 1.6 Hz, 1H), 7.27 (dd, J = 9.1, 2.7 Hz, 1H), 7.24 (d, J = 2.7 Hz, 1H), 3.96 (s, 3H), 2.61 (s, 3H), 2.48 (s, 3H) | null | [('d', ['9.0Hz'], '1H', 8.61, 8.61), ('m', [], '1H', 8.47, 8.45), ('d', ['8.3Hz'], '1H', 7.8, 7.8), ('s', [], '1H', 7.54, 7.54), ('d', ['8.0Hz'], '2H', 7.44, 7.44), ('d', ['7.8Hz'], '2H', 7.33, 7.33), ('dd', ['8.4Hz', '1.6Hz'], '1H', 7.3, 7.3), ('dd', ['9.1Hz', '2.7Hz'], '1H', 7.27, 7.27), ('d', ['2.7Hz'], '1H', 7.24, ... | 20 | 12 | 20 |
10.1002_anie.202315269 | O(c1ccc2c(c1)cc(-c1ccc(C)cc1)c1ccc(C)cc21)C | 14 | 14 | [0.68045764 0.22890626 0.84394423 0.32109378] | [0.14802163 0.33789066 0.84836274 0.46171878] | 13C NMR | 151 MHz | CDCl3 | 158.5, 139.4, 138.2, 137.1, 136.3, 133.3, 131.0, 130.0, 129.1, 128.2, 127.3, 127.0, 126.2, 124.3, 124.1, 122.3, 117.0, 108.5, 55.5, 22.1, 21.4 | null | [(158.5, None, None), (139.4, None, None), (138.2, None, None), (137.1, None, None), (136.3, None, None), (133.3, None, None), (131.0, None, None), (130.0, None, None), (129.1, None, None), (128.2, None, None), (127.3, None, None), (127.0, None, None), (126.2, None, None), (124.3, None, None), (124.1, None, None), (122... | 23 | 21 | 21 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3c(Br)cccc3c3cc(C)ccc23)cc1 | 14 | 14 | [0.6903994 0.66171881 0.84394423 0.73593756] | [0.1474693 0.75351568 0.84836274 0.89687501] | 1H NMR | 600 MHz | CDCl3 | 8.70 (d, J = 8.3 Hz, 1H), 8.54 (s, 1H), 8.06 (s, 1H), 7.90-7.85 (m, 2H), 7.48-7.45 (m, 3H), 7.40 (dd, J = 8.4, 1.7 Hz, 1H), 7.35 (d, J = 7.7 Hz, 2H), 2.63 (s, 3H), 2.49 (s, 3H) | null | [('d', ['8.3Hz'], '1H', 8.7, 8.7), ('s', [], '1H', 8.54, 8.54), ('s', [], '1H', 8.06, 8.06), ('m', [], '2H', 7.9, 7.85), ('m', [], '3H', 7.48, 7.45), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.4, 7.4), ('d', ['7.7Hz'], '2H', 7.35, 7.35), ('s', [], '3H', 2.63, 2.63), ('s', [], '3H', 2.49, 2.49)] | 17 | 11 | 17 |
10.1002_anie.202315269 | Cc1ccc(-c2cc3c(Br)cccc3c3cc(C)ccc23)cc1 | 14 | 14 | [0.6903994 0.66171881 0.84394423 0.73593756] | [0.1474693 0.75351568 0.84836274 0.89687501] | 13C NMR | 151 MHz | CDCl3 | 140.5, 137.9, 137.4, 136.8, 131.4, 131.0, 130.6, 130.4, 130.1, 129.3, 129.2, 128.9, 127.2, 126.6, 125.0, 123.8, 123.0, 122.3, 22.2, 21.4 | null | [(140.5, None, None), (137.9, None, None), (137.4, None, None), (136.8, None, None), (131.4, None, None), (131.0, None, None), (130.6, None, None), (130.4, None, None), (130.1, None, None), (129.3, None, None), (129.2, None, None), (128.9, None, None), (127.2, None, None), (126.6, None, None), (125.0, None, None), (123... | 22 | 20 | 20 |
10.1002_anie.202315269 | O(c1ccc(-c2c(C)c3ccc(C(C)(C)C)cc3c3cc(OC)ccc23)cc1)C | 15 | 15 | [0.6771437 0.78515632 0.84283955 0.85703131] | [0.14802163 0.87812504 0.84615348 0.90937504] | 1H NMR | 600 MHz | CD3CN | 8.71 (d, J = 2.0 Hz, 1H), 8.19 (d, J = 2.6 Hz, 1H), 8.07 (d, J = 8.7 Hz, 1H), 7.79 (dd, J = 8.6, 2.0 Hz, 1H), 7.26 (d, J = 9.1 Hz, 1H), 7.19-7.16 (m, 2H), 7.10-7.06 (m, 3H), 3.99 (s, 3H), 3.88 (s, 3H), 2.36 (s, 3H), 1.51 (s, 9H) | null | [('d', ['2.0Hz'], '1H', 8.71, 8.71), ('d', ['2.6Hz'], '1H', 8.19, 8.19), ('d', ['8.7Hz'], '1H', 8.07, 8.07), ('dd', ['8.6Hz', '2.0Hz'], '1H', 7.79, 7.79), ('d', ['9.1Hz'], '1H', 7.26, 7.26), ('m', [], '2H', 7.19, 7.16), ('m', [], '3H', 7.1, 7.06), ('s', [], '3H', 3.99, 3.99), ('s', [], '3H', 3.88, 3.88), ('s', [], '3H'... | 28 | 12 | 28 |
10.1002_anie.202315269 | O(c1ccc(-c2c(C)c3ccc(C(C)(C)C)cc3c3cc(OC)ccc23)cc1)C | 15 | 15 | [0.6771437 0.78515632 0.84283955 0.85703131] | [0.14802163 0.87812504 0.84615348 0.90937504] | 13C NMR | 151 MHz | CD3CN | 159.8, 158.7, 149.8, 136.7, 133.7, 132.3, 131.8, 131.2, 129.9, 129.7, 128.3, 126.3, 126.0, 119.8, 116.7, 114.7, 105.2, 56.1, 56.0, 35.7, 31.7, 17.3 | null | [(159.8, None, None), (158.7, None, None), (149.8, None, None), (136.7, None, None), (133.7, None, None), (132.3, None, None), (131.8, None, None), (131.2, None, None), (129.9, None, None), (129.7, None, None), (128.3, None, None), (126.3, None, None), (126.0, None, None), (119.8, None, None), (116.7, None, None), (114... | 27 | 23 | 22 |
10.1002_anie.202315269 | O(c1ccc(-c2c(C)c3ccc(Cl)cc3c3cc(OC)ccc23)cc1)C | 16 | 16 | [0.67880067 0.39433597 0.84449651 0.46484379] | [0.14802163 0.48671876 0.84836274 0.64765629] | 1H NMR | 600 MHz | CDCl3 | 8.62 (d, J = 2.1 Hz, 1H), 8.05 (d, J = 8.8 Hz, 1H), 7.97 (d, J = 2.6 Hz, 1H), 7.60 (dd, J = 8.8, 2.1 Hz, 1H), 7.34 (d, J = 9.0 Hz, 1H), 7.20-7.18 (m, 2H), 7.09 (dd, J = 9.1, 2.6 Hz, 1H), 7.07-7.04 (m, 2H), 4.01 (s, 3H), 3.92 (s, 3H), 2.41 (s, 3H) | null | [('d', ['2.1Hz'], '1H', 8.62, 8.62), ('d', ['8.8Hz'], '1H', 8.05, 8.05), ('d', ['2.6Hz'], '1H', 7.97, 7.97), ('dd', ['8.8Hz', '2.1Hz'], '1H', 7.6, 7.6), ('d', ['9.0Hz'], '1H', 7.34, 7.34), ('m', [], '2H', 7.2, 7.18), ('dd', ['9.1Hz', '2.6Hz'], '1H', 7.09, 7.09), ('m', [], '2H', 7.07, 7.04), ('s', [], '3H', 4.01, 4.01),... | 19 | 11 | 19 |
10.1002_anie.202315269 | O(c1ccc(-c2c(C)c3ccc(Cl)cc3c3cc(OC)ccc23)cc1)C | 16 | 16 | [0.67880067 0.39433597 0.84449651 0.46484379] | [0.14802163 0.48671876 0.84836274 0.64765629] | 13C NMR | 151 MHz | CDCl3 | 158.8, 158.0, 137.1, 132.7, 131.9, 131.4, 130.9, 130.8, 129.8, 129.3, 127.9, 127.4, 127.3, 127.0, 122.6, 117.1, 114.0, 103.8, 55.7, 55.5, 17.2 | null | [(158.8, None, None), (158.0, None, None), (137.1, None, None), (132.7, None, None), (131.9, None, None), (131.4, None, None), (130.9, None, None), (130.8, None, None), (129.8, None, None), (129.3, None, None), (127.9, None, None), (127.4, None, None), (127.3, None, None), (127.0, None, None), (122.6, None, None), (117... | 23 | 21 | 21 |
10.1002_anie.202315269 | O(c1ccc(-c2c(C)c3ccc(Br)cc3c3cc(OC)ccc23)cc1)C | 17 | 17 | [0.68045764 0.13886719 0.84394423 0.20878907] | [0.1474693 0.23007813 0.84891508 0.39140628] | 1H NMR | 600 MHz | CDCl3 | 8.78 (d, J = 2.0 Hz, 1H), 7.99-7.96 (m, 2H), 7.73 (dd, J = 8.8, 2.0 Hz, 1H), 7.34 (d, J = 9.0 Hz, 1H), 7.20-7.17 (m, 2H), 7.09 (dd, J = 9.1, 2.5 Hz, 1H), 7.07-7.04 (m, 2H), 4.01 (s, 3H), 3.92 (s, 3H), 2.41 (s, 3H) | null | [('d', ['2.0Hz'], '1H', 8.78, 8.78), ('m', [], '2H', 7.99, 7.96), ('dd', ['8.8Hz', '2.0Hz'], '1H', 7.73, 7.73), ('d', ['9.0Hz'], '1H', 7.34, 7.34), ('m', [], '2H', 7.2, 7.17), ('dd', ['9.1Hz', '2.5Hz'], '1H', 7.09, 7.09), ('m', [], '2H', 7.07, 7.04), ('s', [], '3H', 4.01, 4.01), ('s', [], '3H', 3.92, 3.92), ('s', [], '... | 19 | 11 | 19 |
10.1002_anie.202315269 | O(c1ccc(-c2c(C)c3ccc(Br)cc3c3cc(OC)ccc23)cc1)C | 17 | 17 | [0.68045764 0.13886719 0.84394423 0.20878907] | [0.1474693 0.23007813 0.84891508 0.39140628] | 13C NMR | 151 MHz | CDCl3 | 158.8, 158.0, 137.3, 132.7, 131.4, 131.2, 131.2, 130.0, 129.7, 129.3, 127.9, 127.5, 127.1, 125.7, 120.2, 117.1, 114.0, 103.8, 55.7, 55.5, 17.2 | null | [(158.8, None, None), (158.0, None, None), (137.3, None, None), (132.7, None, None), (131.4, None, None), (131.2, None, None), (131.2, None, None), (130.0, None, None), (129.7, None, None), (129.3, None, None), (127.9, None, None), (127.5, None, None), (127.1, None, None), (125.7, None, None), (120.2, None, None), (117... | 23 | 21 | 21 |
10.1002_anie.202315269 | O(c1ccc(-c2c(-c3ccccc3)c3ccccc3c3cc(OC)ccc23)cc1)C | 17 | 17 | [0.68156227 0.5730469 0.84504885 0.64023443] | [0.14802163 0.6640625 0.84836274 0.82500003] | 1H NMR | 600 MHz | CDCl3 | 8.72 (dd, J = 8.4, 1.2 Hz, 1H), 8.18 (d, J = 2.6 Hz, 1H), 7.65-7.62 (m, 1H), 7.56-7.52 (m, 2H), 7.49-7.46 (m, 1H), 7.27-7.24 (m, 2H), 7.22-7.19 (m, 1H), 7.17-7.13 (m, 3H), 7.07-7.05 (m, 2H), 6.80-6.76 (m, 2H), 4.04 (s, 3H), 3.78 (s, 3H) | null | [('dd', ['8.4Hz', '1.2Hz'], '1H', 8.72, 8.72), ('d', ['2.6Hz'], '1H', 8.18, 8.18), ('m', [], '1H', 7.65, 7.62), ('m', [], '2H', 7.56, 7.52), ('m', [], '1H', 7.49, 7.46), ('m', [], '2H', 7.27, 7.24), ('m', [], '1H', 7.22, 7.19), ('m', [], '3H', 7.17, 7.13), ('m', [], '2H', 7.07, 7.05), ('m', [], '2H', 6.8, 6.76), ('s', ... | 22 | 14 | 22 |
10.1002_anie.202315269 | O(c1ccc(-c2c(-c3ccccc3)c3ccccc3c3cc(OC)ccc23)cc1)C | 17 | 17 | [0.68156227 0.5730469 0.84504885 0.64023443] | [0.14802163 0.6640625 0.84836274 0.82500003] | 13C NMR | 151 MHz | CDCl3 | 158.4, 158.1, 140.0, 136.8, 135.3, 132.5, 132.2, 132.1, 131.5, 131.3, 129.6, 129.5, 128.0, 127.7, 127.0, 126.8, 126.4, 126.0, 122.6, 116.5, 113.1, 104.1, 55.7, 55.2 | null | [(158.4, None, None), (158.1, None, None), (140.0, None, None), (136.8, None, None), (135.3, None, None), (132.5, None, None), (132.2, None, None), (132.1, None, None), (131.5, None, None), (131.3, None, None), (129.6, None, None), (129.5, None, None), (128.0, None, None), (127.7, None, None), (127.0, None, None), (126... | 28 | 24 | 24 |
10.1002_anie.202315269 | O(c1ccc(-c2c(-c3ccc(C)cc3)c3ccc(C)cc3c3cc(C)ccc23)cc1)C | 18 | 18 | [0.68156227 0.21171876 0.84283955 0.28125002] | [0.1474693 0.30117189 0.84836274 0.46171878] | 1H NMR | 600 MHz | CDCl3 | 8.48 (s, 1H), 8.15 (d, J = 2.6 Hz, 1H), 7.50 (d, J = 9.0 Hz, 1H), 7.45 (d, J = 8.4 Hz, 1H), 7.30 (dd, J = 8.5, 1.7 Hz, 1H), 7.11 (dd, J = 9.0, 2.6 Hz, 1H), 7.07-7.01 (m, 6H), 6.80-6.77 (m, 2H), 4.05 (s, 3H), 3.80 (s, 3H), 2.63 (s, 3H), 2.33 (s, 3H) | null | [('s', [], '1H', 8.48, 8.48), ('d', ['2.6Hz'], '1H', 8.15, 8.15), ('d', ['9.0Hz'], '1H', 7.5, 7.5), ('d', ['8.4Hz'], '1H', 7.45, 7.45), ('dd', ['8.5Hz', '1.7Hz'], '1H', 7.3, 7.3), ('dd', ['9.0Hz', '2.6Hz'], '1H', 7.11, 7.11), ('m', [], '6H', 7.07, 7.01), ('m', [], '2H', 6.8, 6.77), ('s', [], '3H', 4.05, 4.05), ('s', []... | 26 | 14 | 26 |
10.1002_anie.202315269 | O(c1ccc(-c2c(-c3ccc(C)cc3)c3ccc(C)cc3c3cc(C)ccc23)cc1)C | 18 | 18 | [0.68156227 0.21171876 0.84283955 0.28125002] | [0.1474693 0.30117189 0.84836274 0.46171878] | 13C NMR | 151 MHz | CDCl3 | 158.1, 158.0, 137.0, 135.8, 135.7, 135.6, 135.2, 132.4, 132.2, 131.2, 130.6, 129.6, 129.5, 128.5, 128.4, 127.9, 127.3, 122.3, 116.4, 113.1, 104.0, 55.7, 55.3, 22.1, 21.4 | null | [(158.1, None, None), (158.0, None, None), (137.0, None, None), (135.8, None, None), (135.7, None, None), (135.6, None, None), (135.2, None, None), (132.4, None, None), (132.2, None, None), (131.2, None, None), (130.6, None, None), (129.6, None, None), (129.5, None, None), (128.5, None, None), (128.4, None, None), (127... | 30 | 26 | 25 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C2=CC=CC=3)C2C=CC=CC=2)=CC=1 | 18 | 18 | [0.70255042 0.66718754 0.84504885 0.74062501] | [0.14691699 0.77187501 0.84836274 0.89531253] | 1H NMR | 600 MHz | CDCl3 | 8.82-8.79 (m, 1H), 8.73-8.70 (m, 1H), 7.90 (dd, J = 8.3, 1.3 Hz, 1H), 7.83 (d, J = 8.3 Hz, 1H), 7.69 (dd, J = 8.3, 1.8 Hz, 1H), 7.67-7.63 (m, 2H), 7.54-7.47 (m, 5H), 7.45-7.42 (m, 1H), 1.51 (s, 9H) | null | [('m', [], '1H', 8.82, 8.79), ('m', [], '1H', 8.73, 8.7), ('dd', ['8.3Hz', '1.3Hz'], '1H', 7.9, 7.9), ('d', ['8.3Hz'], '1H', 7.83, 7.83), ('dd', ['8.3Hz', '1.8Hz'], '1H', 7.69, 7.69), ('m', [], '2H', 7.67, 7.63), ('m', [], '5H', 7.54, 7.47), ('m', [], '1H', 7.45, 7.42), ('s', [], '9H', 1.51, 1.51)] | 22 | 12 | 22 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C2=CC=CC=3)C2C=CC=CC=2)=CC=1 | 18 | 18 | [0.70255042 0.66718754 0.84504885 0.74062501] | [0.14691699 0.77187501 0.84836274 0.89531253] | 13C NMR | 151 MHz | CDCl3 | 149.6, 141.1, 138.2, 131.4, 130.9, 130.2, 129.7, 129.6, 128.5, 128.4, 127.4, 127.3, 127.1, 126.4, 126.3, 125.4, 122.9, 118.3, 35.4, 31.7 | null | [(149.6, None, None), (141.1, None, None), (138.2, None, None), (131.4, None, None), (130.9, None, None), (130.2, None, None), (129.7, None, None), (129.6, None, None), (128.5, None, None), (128.4, None, None), (127.4, None, None), (127.3, None, None), (127.1, None, None), (126.4, None, None), (126.3, None, None), (125... | 24 | 20 | 20 |
10.1002_anie.202315269 | CC(C)(C)c1cc2c(cc(-c3ccc(F)cc3)c3c2cc(F)cc3)cc1 | 19 | 19 | [0.69426563 0.28398439 0.84449651 0.35585939] | [0.14691699 0.37500004 0.84836274 0.51796876] | 1H NMR | 600 MHz | CDCl3 | 8.57 (d, J = 1.8 Hz, 1H), 8.41 (dd, J = 11.2, 2.6 Hz, 1H), 7.86-7.82 (m, 2H), 7.74 (dd, J = 8.3, 1.8 Hz, 1H), 7.59 (s, 1H), 7.49-7.46 (m, 2H), 7.29-7.26 (m, 1H), 7.23-7.18 (m, 2H), 1.53 (s, 9H) | null | [('d', ['1.8Hz'], '1H', 8.57, 8.57), ('dd', ['11.2Hz', '2.6Hz'], '1H', 8.41, 8.41), ('m', [], '2H', 7.86, 7.82), ('dd', ['8.3Hz', '1.8Hz'], '1H', 7.74, 7.74), ('s', [], '1H', 7.59, 7.59), ('m', [], '2H', 7.49, 7.46), ('m', [], '1H', 7.29, 7.26), ('m', [], '2H', 7.23, 7.18), ('s', [], '9H', 1.53, 1.53)] | 20 | 10 | 20 |
10.1002_anie.202315269 | CC(C)(C)c1cc2c(cc(-c3ccc(F)cc3)c3c2cc(F)cc3)cc1 | 19 | 19 | [0.69426563 0.28398439 0.84449651 0.35585939] | [0.14691699 0.37500004 0.84836274 0.51796876] | 13C NMR | 151 MHz | CDCl3 | 162.5 (d, J = 246.4 Hz), 161.56 (d, J = 245.8 Hz), 149.9, 136.8 (d, J = 4.3 Hz), 132.7 (d, J = 8.2 Hz), 131.7 (d, J = 7.8 Hz), 129.9, 129.2 (d, J = 2.7 Hz), 129.1 (d, J = 7.3 Hz), 128.5, 128.1, 126.6 (d, J = 2.4 Hz), 126.1, 118.5, 115.4 (d, J = 21.3 Hz), 115.3 (d, J = 23.5 Hz), 108.0 (d, J = 22.2 Hz), 35.4, 31.6 | null | [(162.5, 'd', 246.4), (161.56, 'd', 245.8), (149.9, None, None), (136.8, 'd', 4.3), (132.7, 'd', 8.2), (131.7, 'd', 7.8), (129.9, None, None), (129.2, 'd', 2.7), (129.1, 'd', 7.3), (128.5, None, None), (128.1, None, None), (126.6, 'd', 2.4), (126.1, None, None), (118.5, None, None), (115.4, 'd', 21.3), (115.3, 'd', 23.... | 24 | 20 | 19 |
10.1002_anie.202315269 | CC(C)(C)c1ccc2cc(-c3ccc(Cl)cc3)c3ccc(Cl)cc3c2c1 | 19 | 19 | [0.68819009 0.71484382 0.84504885 0.78671881] | [0.1474693 0.80937503 0.84781045 0.89531253] | 1H NMR | 600 MHz | CDCl3 | 8.74 (d, J = 2.1 Hz, 1H), 8.61-8.60 (m, 1H), 7.84 (d, J = 8.4 Hz, 1H), 7.78 (d, J = 8.8 Hz, 1H), 7.74 (dd, J = 8.4, 1.8 Hz, 1H), 7.62 (s, 1H), 7.50-7.46 (m, 3H), 7.44-7.42 (m, 2H), 1.53 (s, 9H) | null | [('d', ['2.1Hz'], '1H', 8.74, 8.74), ('m', [], '1H', 8.61, 8.6), ('d', ['8.4Hz'], '1H', 7.84, 7.84), ('d', ['8.8Hz'], '1H', 7.78, 7.78), ('dd', ['8.4Hz', '1.8Hz'], '1H', 7.74, 7.74), ('s', [], '1H', 7.62, 7.62), ('m', [], '3H', 7.5, 7.46), ('m', [], '2H', 7.44, 7.42), ('s', [], '9H', 1.53, 1.53)] | 20 | 10 | 20 |
10.1002_anie.202315269 | CC(C)(C)c1ccc2cc(-c3ccc(Cl)cc3)c3ccc(Cl)cc3c2c1 | 19 | 19 | [0.68819009 0.71484382 0.84504885 0.78671881] | [0.1474693 0.80937503 0.84781045 0.89531253] | 13C NMR | 151 MHz | CDCl3 | 150.3, 139.0, 136.5, 133.7, 132.7, 132.2, 131.4, 129.8, 129.5, 128.8, 128.7, 128.6, 128.3, 127.6, 127.0, 126.1, 122.6, 118.3, 35.5, 31.7 | null | [(150.3, None, None), (139.0, None, None), (136.5, None, None), (133.7, None, None), (132.7, None, None), (132.2, None, None), (131.4, None, None), (129.8, None, None), (129.5, None, None), (128.8, None, None), (128.7, None, None), (128.6, None, None), (128.3, None, None), (127.6, None, None), (127.0, None, None), (126... | 24 | 20 | 20 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C=CC(Br)=CC=3)C3C2=CC(=CC=3)Br)=CC=1 | 20 | 20 | [0.68819009 0.33671878 0.84504885 0.40937501] | [0.14691699 0.43085938 0.84946742 0.59179691] | 13C NMR | 151 MHz | CDCl3 | 150.4, 139.4, 136.5, 132.5, 131.8, 131.7, 129.8, 129.7, 129.7, 128.7, 128.6, 128.5, 127.8, 126.2, 125.8, 121.9, 121.1, 118.3, 35.5, 31.7 | null | [(150.4, None, None), (139.4, None, None), (136.5, None, None), (132.5, None, None), (131.8, None, None), (131.7, None, None), (129.8, None, None), (129.7, None, None), (129.7, None, None), (128.7, None, None), (128.6, None, None), (128.5, None, None), (127.8, None, None), (126.2, None, None), (125.8, None, None), (121... | 24 | 20 | 20 |
10.1002_anie.202315269 | C(c1ccc(-c2cc3ccc(C(C)(C)C)cc3c3cc(CC)ccc23)cc1)C | 20 | 20 | [0.68819009 0.77265629 0.84504885 0.84453128] | [0.14857395 0.86406253 0.84781045 0.89531253] | 1H NMR | 600 MHz | CDCl3 | 8.74-8.69 (m, 1H), 8.60-8.57 (m, 1H), 7.89 (d, J = 8.4 Hz, 1H), 7.83 (d, J = 8.3 Hz, 1H), 7.70 (dd, J = 8.3, 1.8 Hz, 1H), 7.61 (s, 1H), 7.50-7.45 (m, 2H), 7.40 (dd, J = 8.4, 1.7 Hz, 1H), 7.35 (d, J = 7.9 Hz, 2H), 2.96 (q, J = 7.6 Hz, 2H), 2.79 (q, J = 7.6 Hz, 2H), 1.54 (s, 9H), 1.42 (t, J = 7.6 Hz, 3H), 1.36 (t, J = 7.... | null | [('m', [], '1H', 8.74, 8.69), ('m', [], '1H', 8.6, 8.57), ('d', ['8.4Hz'], '1H', 7.89, 7.89), ('d', ['8.3Hz'], '1H', 7.83, 7.83), ('dd', ['8.3Hz', '1.8Hz'], '1H', 7.7, 7.7), ('s', [], '1H', 7.61, 7.61), ('m', [], '2H', 7.5, 7.45), ('dd', ['8.4Hz', '1.7Hz'], '1H', 7.4, 7.4), ('d', ['7.9Hz'], '2H', 7.35, 7.35), ('q', ['7... | 30 | 14 | 30 |
10.1002_anie.202315269 | C(c1ccc(-c2cc3ccc(C(C)(C)C)cc3c3cc(CC)ccc23)cc1)C | 20 | 20 | [0.68819009 0.77265629 0.84504885 0.84453128] | [0.14857395 0.86406253 0.84781045 0.89531253] | 13C NMR | 151 MHz | CDCl3 | 149.2, 143.3, 142.4, 138.5, 138.1, 131.0, 130.1, 129.8, 129.7, 129.4, 128.4, 127.9, 127.2, 126.9, 126.4, 125.2, 121.4, 118.2, 35.4, 31.7, 29.6, 28.8, 16.3, 15.8 | null | [(149.2, None, None), (143.3, None, None), (142.4, None, None), (138.5, None, None), (138.1, None, None), (131.0, None, None), (130.1, None, None), (129.8, None, None), (129.7, None, None), (129.4, None, None), (128.4, None, None), (127.9, None, None), (127.2, None, None), (126.9, None, None), (126.4, None, None), (125... | 28 | 24 | 24 |
10.1002_anie.202315269 | CCCCCCc1ccc(-c2cc3ccc(C(C)(C)C)cc3c3cc(CCCCCC)ccc23)cc1 | 21 | 21 | [0.65063236 0.37753908 0.84504885 0.44609378] | [0.14691699 0.46718751 0.84836274 0.59218751] | 1H NMR | 600 MHz | CDCl3 | 8.72 (d, J = 2.2 Hz, 1H), 8.57 (s, 1H), 7.89 (dd, J = 8.4, 2.7 Hz, 1H), 7.84 (dd, J = 8.5, 2.0 Hz, 1H), 7.70 (dd, J = 8.3, 2.0 Hz, 1H), 7.61 (d, J = 2.5 Hz, 1H), 7.48-7.46 (m, 2H), 7.39 (d, J = 8.5 Hz, 1H), 7.35-7.32 (m, 2H), 2.92 (t, J = 7.6 Hz, 2H), 2.74 (t, J = 7.7 Hz, 2H), 1.82-1.77 (m, 2H), 1.76-1.71 (m, 2H), 1.55... | null | [('d', ['2.2Hz'], '1H', 8.72, 8.72), ('s', [], '1H', 8.57, 8.57), ('dd', ['8.4Hz', '2.7Hz'], '1H', 7.89, 7.89), ('dd', ['8.5Hz', '2.0Hz'], '1H', 7.84, 7.84), ('dd', ['8.3Hz', '2.0Hz'], '1H', 7.7, 7.7), ('d', ['2.5Hz'], '1H', 7.61, 7.61), ('m', [], '2H', 7.48, 7.46), ('d', ['8.5Hz'], '1H', 7.39, 7.39), ('m', [], '2H', 7... | 46 | 22 | 46 |
10.1002_anie.202315269 | CCCCCCc1ccc(-c2cc3ccc(C(C)(C)C)cc3c3cc(CCCCCC)ccc23)cc1 | 21 | 21 | [0.65063236 0.37753908 0.84504885 0.44609378] | [0.14691699 0.46718751 0.84836274 0.59218751] | 13C NMR | 151 MHz | CDCl3 | 149.1, 142.0, 141.0, 138.5, 138.1, 130.9, 130.1, 129.9, 129.7, 129.4, 128.4, 128.4, 127.3, 127.1, 126.3, 125.1, 122.0, 118.2, 36.6, 36.0, 35.4, 32.0, 32.0, 31.9, 31.7, 31.7, 29.3, 29.3, 22.8, 22.8, 22.8, 14.3 | null | [(149.1, None, None), (142.0, None, None), (141.0, None, None), (138.5, None, None), (138.1, None, None), (130.9, None, None), (130.1, None, None), (129.9, None, None), (129.7, None, None), (129.4, None, None), (128.4, None, None), (128.4, None, None), (127.3, None, None), (127.1, None, None), (126.3, None, None), (125... | 36 | 32 | 32 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C=CC(C(C)(C)C)=CC=3)C3C2=CC(=CC=3)C(C)(C)C)=CC=1 | 21 | 22 | [0.67935301 0.80781254 0.84504885 0.87968753] | [0.14691699 0.08984376 0.84946742 0.21367189] | 1H NMR | 600 MHz | CDCl3 | 8.76 (d, J = 2.0 Hz, 1H), 8.70 (d, J = 1.8 Hz, 1H), 7.91 (d, J = 8.7 Hz, 1H), 7.81 (d, J = 8.4 Hz, 1H), 7.68 (dd, J = 8.3, 1.8 Hz, 1H), 7.62-7.59 (m, 2H), 7.52 (d, J = 8.3 Hz, 2H), 7.49-7.46 (m, 2H), 1.52 (s, 9H), 1.51 (s, 9H), 1.42 (s, 9H) | null | [('d', ['2.0Hz'], '1H', 8.76, 8.76), ('d', ['1.8Hz'], '1H', 8.7, 8.7), ('d', ['8.7Hz'], '1H', 7.91, 7.91), ('d', ['8.4Hz'], '1H', 7.81, 7.81), ('dd', ['8.3Hz', '1.8Hz'], '1H', 7.68, 7.68), ('m', [], '2H', 7.62, 7.59), ('d', ['8.3Hz'], '2H', 7.52, 7.52), ('m', [], '2H', 7.49, 7.46), ('s', [], '9H', 1.52, 1.52), ('s', []... | 38 | 12 | 38 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C=CC(C(C)(C)C)=CC=3)C3C2=CC(=CC=3)C(C)(C)C)=CC=1 | 21 | 22 | [0.67935301 0.80781254 0.84504885 0.87968753] | [0.14691699 0.08984376 0.84946742 0.21367189] | 13C NMR | 151 MHz | CDCl3 | 150.2, 149.1, 148.9, 138.2, 137.9, 130.5, 129.9, 129.8, 129.7, 129.4, 128.5, 126.9, 126.5, 125.3, 125.1, 124.6, 118.3, 117.9, 35.4, 35.2, 34.8, 31.7, 31.6 | null | [(150.2, None, None), (149.1, None, None), (148.9, None, None), (138.2, None, None), (137.9, None, None), (130.5, None, None), (129.9, None, None), (129.8, None, None), (129.7, None, None), (129.4, None, None), (128.5, None, None), (126.9, None, None), (126.5, None, None), (125.3, None, None), (125.1, None, None), (124... | 32 | 24 | 23 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C=CC(C(C)C)=CC=3)C3C2=CC(=CC=3)C(C)C)=CC=1 | 22 | 22 | [0.68100998 0.39257816 0.84449651 0.46523439] | [0.1474693 0.48671876 0.84836274 0.61015628] | 1H NMR | 600 MHz | CDCl3 | 8.74 (d, J = 1.8 Hz, 1H), 8.62 (d, J = 1.8 Hz, 1H), 7.94 (d, J = 8.5 Hz, 1H), 7.84 (d, J = 8.3 Hz, 1H), 7.70 (dd, J = 8.3, 1.8 Hz, 1H), 7.62 (s, 1H), 7.50 (d, J = 8.0 Hz, 2H), 7.47-7.45 (m, 1H), 7.39 (d, J = 8.1 Hz, 2H), 3.25 (hept, J = 6.9 Hz, 1H), 3.05 (hept, J = 6.9 Hz, 1H), 1.55 (s, 9H), 1.45 (d, J = 6.9 Hz, 6H), 1... | null | [('d', ['1.8Hz'], '1H', 8.74, 8.74), ('d', ['1.8Hz'], '1H', 8.62, 8.62), ('d', ['8.5Hz'], '1H', 7.94, 7.94), ('d', ['8.3Hz'], '1H', 7.84, 7.84), ('dd', ['8.3Hz', '1.8Hz'], '1H', 7.7, 7.7), ('s', [], '1H', 7.62, 7.62), ('d', ['8.0Hz'], '2H', 7.5, 7.5), ('m', [], '1H', 7.47, 7.45), ('d', ['8.1Hz'], '2H', 7.39, 7.39), ('h... | 34 | 14 | 34 |
10.1002_anie.202315269 | C(C)(C)(C)C1C=C2C(C=C(C3C=CC(C(C)C)=CC=3)C3C2=CC(=CC=3)C(C)C)=CC=1 | 22 | 22 | [0.68100998 0.39257816 0.84449651 0.46523439] | [0.1474693 0.48671876 0.84836274 0.61015628] | 13C NMR | 151 MHz | CDCl3 | 149.1, 147.9, 146.8, 138.6, 138.1, 130.9, 130.1, 129.9, 129.9 129.5, 128.4, 127.3, 126.4, 126.4, 125.2, 125.1, 120.1, 118.1, 35.4, 34.8, 34.1, 31.7, 24.4, 24.3 | null | [(149.1, None, None), (129.9, None, None), (147.9, None, None), (146.8, None, None), (138.6, None, None), (138.1, None, None), (130.9, None, None), (130.1, None, None), (129.9, None, None), (129.5, None, None), (128.4, None, None), (127.3, None, None), (126.4, None, None), (126.4, None, None), (125.2, None, None), (125... | 30 | 24 | 24 |
10.1002_anie.202315269 | CC(C)(C)c1ccc2cc(-c3ccc(CC(C)C)cc3)c3ccc(CC(C)C)cc3c2c1 | 22 | 23 | [0.6616788 0.81406256 0.84504885 0.87968753] | [0.14691699 0.08999024 0.84836274 0.21386721] | 1H NMR | 600 MHz | CDCl3 | 8.72-8.68 (m, 1H), 8.53-8.52 (m, 1H), 7.87 (d, J = 8.4 Hz, 1H), 7.83 (d, J = 8.3 Hz, 1H), 7.70 (dd, J = 8.3, 1.8 Hz, 1H), 7.62 (s, 1H), 7.48-7.45 (m, 2H), 7.35 (dd, J = 8.4, 1.6 Hz, 1H), 7.31-7.28 (m, 2H), 2.78 (d, J = 7.3 Hz, 2H), 2.60 (d, J = 7.2 Hz, 2H), 2.06 (dp, J = 13.6, 6.8 Hz, 1H), 1.98 (dp, J = 13.6, 6.8 Hz, 1... | null | [('m', [], '1H', 8.72, 8.68), ('m', [], '1H', 8.53, 8.52), ('d', ['8.4Hz'], '1H', 7.87, 7.87), ('d', ['8.3Hz'], '1H', 7.83, 7.83), ('dd', ['8.3Hz', '1.8Hz'], '1H', 7.7, 7.7), ('s', [], '1H', 7.62, 7.62), ('m', [], '2H', 7.48, 7.45), ('dd', ['8.4Hz', '1.6Hz'], '1H', 7.35, 7.35), ('m', [], '2H', 7.31, 7.28), ('d', ['7.3H... | 38 | 16 | 38 |
10.1002_anie.202315269 | CC(C)(C)c1ccc2cc(-c3ccc(CC(C)C)cc3)c3ccc(CC(C)C)cc3c2c1 | 22 | 23 | [0.6616788 0.81406256 0.84504885 0.87968753] | [0.14691699 0.08999024 0.84836274 0.21386721] | 13C NMR | 151 MHz | CDCl3 | 149.1, 140.8, 139.8, 138.5, 138.2, 130.8, 129.9, 129.8, 129.7, 129.4, 129.1, 128.4, 127.9, 126.9, 126.3, 125.1, 122.7, 118.1, 46.0, 45.4, 35.4, 31.7, 30.6, 30.5, 22.7 | null | [(149.1, None, None), (140.8, None, None), (139.8, None, None), (138.5, None, None), (138.2, None, None), (130.8, None, None), (129.9, None, None), (129.8, None, None), (129.7, None, None), (129.4, None, None), (129.1, None, None), (128.4, None, None), (127.9, None, None), (126.9, None, None), (126.3, None, None), (125... | 32 | 26 | 25 |
10.1002_anie.202315269 | O(c1ccc(-c2cc3ccc(C(C)(C)C)cc3c3cc(OC)ccc23)cc1)C | 23 | 23 | [0.67603907 0.41015629 0.84394423 0.48359379] | [0.14691699 0.50546877 0.84836274 0.62890625] | 1H NMR | 600 MHz | CDCl3 | 8.62-8.58 (m, 1H), 8.18 (d, J = 2.6 Hz, 1H), 7.87 (d, J = 9.0 Hz, 1H), 7.82 (d, J = 8.3 Hz, 1H), 7.69 (dd, J = 8.3, 1.8 Hz, 1H), 7.51 (s, 1H), 7.49-7.43 (m, 2H), 7.18 (dd, J = 9.0, 2.6 Hz, 1H), 7.05 (d, J = 8.6 Hz, 2H), 4.05 (s, 3H), 3.91 (s, 3H), 1.52 (s, 9H) | null | [('m', [], '1H', 8.62, 8.58), ('d', ['2.6Hz'], '1H', 8.18, 8.18), ('d', ['9.0Hz'], '1H', 7.87, 7.87), ('d', ['8.3Hz'], '1H', 7.82, 7.82), ('dd', ['8.3Hz', '1.8Hz'], '1H', 7.69, 7.69), ('s', [], '1H', 7.51, 7.51), ('m', [], '2H', 7.49, 7.43), ('dd', ['9.0Hz', '2.6Hz'], '1H', 7.18, 7.18), ('d', ['8.6Hz'], '2H', 7.05, 7.0... | 26 | 12 | 26 |
10.1002_anie.202315269 | O(c1ccc(-c2cc3ccc(C(C)(C)C)cc3c3cc(OC)ccc23)cc1)C | 23 | 23 | [0.67603907 0.41015629 0.84394423 0.48359379] | [0.14691699 0.50546877 0.84836274 0.62890625] | 13C NMR | 151 MHz | CDCl3 | 159.0, 158.1, 149.0, 137.7, 133.6, 132.4, 131.2, 130.2, 129.0, 128.7, 128.4, 126.3, 125.5, 125.0, 118.2, 115.4, 113.8, 105.0, 55.7, 55.5, 35.3, 31.7 | null | [(159.0, None, None), (158.1, None, None), (149.0, None, None), (137.7, None, None), (133.6, None, None), (132.4, None, None), (131.2, None, None), (130.2, None, None), (129.0, None, None), (128.7, None, None), (128.4, None, None), (126.3, None, None), (125.5, None, None), (125.0, None, None), (118.2, None, None), (115... | 26 | 22 | 22 |
10.1002_anie.202315269 | O(c1ccc(-c2cc3ccc(C(C)(C)C)cc3c3cc(O[Si](C(C)(C)C)(C)C)ccc23)cc1)[Si](C(C)(C)C)(C)C | 24 | 24 | [0.67162051 0.17441407 0.84394423 0.24433594] | [0.1474693 0.26210939 0.84781045 0.38593751] | 1H NMR | 600 MHz | CDCl3 | 8.57-8.54 (m, 1H), 8.16 (d, J = 2.4 Hz, 1H), 7.81 (dd, J = 8.6, 5.2 Hz, 2H), 7.68 (dd, J = 8.3, 1.8 Hz, 1H), 7.51 (s, 1H), 7.41-7.37 (m, 2H), 7.09 (dd, J = 8.9, 2.4 Hz, 1H), 6.99-6.95 (m, 2H), 1.52 (s, 9H), 1.06 (d, J = 12.2 Hz, 18H), 0.31 (d, J = 19.4 Hz, 12H) | null | [('m', [], '1H', 8.57, 8.54), ('d', ['2.4Hz'], '1H', 8.16, 8.16), ('dd', ['8.6Hz', '5.2Hz'], '2H', 7.81, 7.81), ('dd', ['8.3Hz', '1.8Hz'], '1H', 7.68, 7.68), ('s', [], '1H', 7.51, 7.51), ('m', [], '2H', 7.41, 7.37), ('dd', ['8.9Hz', '2.4Hz'], '1H', 7.09, 7.09), ('m', [], '2H', 6.99, 6.95), ('s', [], '9H', 1.52, 1.52), ... | 50 | 14 | 50 |
10.1002_anie.202315269 | O(c1ccc(-c2cc3ccc(C(C)(C)C)cc3c3cc(O[Si](C(C)(C)C)(C)C)ccc23)cc1)[Si](C(C)(C)C)(C)C | 24 | 24 | [0.67162051 0.17441407 0.84394423 0.24433594] | [0.1474693 0.26210939 0.84781045 0.38593751] | 13C NMR | 151 MHz | CDCl3 | 155.1, 154.3, 148.9, 137.9, 134.2, 132.5, 131.2, 130.1, 128.9, 128.6, 128.3, 126.7, 125.4, 125.0, 120.6, 119.9, 118.3, 112.1, 35.3, 31.7, 26.0, 25.9, 18.6, 18.4,-4.0,-4.2 | null | [(155.1, None, None), (154.3, None, None), (148.9, None, None), (137.9, None, None), (134.2, None, None), (132.5, None, None), (131.2, None, None), (130.1, None, None), (128.9, None, None), (128.6, None, None), (128.3, None, None), (126.7, None, None), (125.4, None, None), (125.0, None, None), (120.6, None, None), (119... | 36 | 26 | 26 |
10.1002_anie.202315269 | CC(C)(C)c1ccc2cc(-c3cccs3)c3sccc3c2c1 | 24 | 24 | [0.70807361 0.58515629 0.84504885 0.65312503] | [0.1474693 0.67734381 0.84891508 0.80078132] | 1H NMR | 600 MHz | CDCl3 | 8.29 (d, J = 1.9 Hz, 1H), 8.11 (d, J = 5.4 Hz, 1H), 7.93-7.90 (m, 2H), 7.69 (dd, J = 3.6, 1.1 Hz, 1H), 7.66-7.62 (m, 2H), 7.42 (dd, J = 5.1, 1.1 Hz, 1H), 7.22 (dd, J = 5.1, 3.6 Hz, 1H), 1.49 (s, 9H) | null | [('d', ['1.9Hz'], '1H', 8.29, 8.29), ('d', ['5.4Hz'], '1H', 8.11, 8.11), ('m', [], '2H', 7.93, 7.9), ('dd', ['3.6Hz', '1.1Hz'], '1H', 7.69, 7.69), ('m', [], '2H', 7.66, 7.62), ('dd', ['5.1Hz', '1.1Hz'], '1H', 7.42, 7.42), ('dd', ['5.1Hz', '3.6Hz'], '1H', 7.22, 7.22), ('s', [], '9H', 1.49, 1.49)] | 18 | 10 | 18 |
10.1002_anie.202315269 | CC(C)(C)c1ccc2cc(-c3cccs3)c3sccc3c2c1 | 24 | 24 | [0.70807361 0.58515629 0.84504885 0.65312503] | [0.1474693 0.67734381 0.84891508 0.80078132] | 13C NMR | 151 MHz | CDCl3 | 149.8, 142.8, 137.1, 136.6, 129.7, 128.7, 128.4, 127.9, 127.2, 126.2, 125.7, 125.4, 124.6, 124.1, 122.5, 119.0, 35.3, 31.5 | null | [(149.8, None, None), (142.8, None, None), (137.1, None, None), (136.6, None, None), (129.7, None, None), (128.7, None, None), (128.4, None, None), (127.9, None, None), (127.2, None, None), (126.2, None, None), (125.7, None, None), (125.4, None, None), (124.6, None, None), (124.1, None, None), (122.5, None, None), (119... | 20 | 18 | 18 |
10.1002_anie.202315269 | CC(C)(C)c1ccc2cc(-c3cc4ccccc4s3)c3sc4ccccc4c3c2c1 | 25 | 25 | [0.6903994 0.19296875 0.84504885 0.26757814] | [0.14691699 0.28242188 0.84946742 0.40664064] | 1H NMR | 600 MHz | CDCl3 | 9.03 (s, 1H), 8.91-8.87 (m, 1H), 8.10 (s, 1H), 8.05-8.01 (m, 2H), 7.95-7.88 (m, 3H), 7.72 (dd, J = 8.5, 1.7 Hz, 1H), 7.68-7.63 (m, 1H), 7.55-7.51 (m, 1H), 7.45-7.39 (m, 2H), 1.57 (s, 9H) | null | [('s', [], '1H', 9.03, 9.03), ('m', [], '1H', 8.91, 8.87), ('s', [], '1H', 8.1, 8.1), ('m', [], '2H', 8.05, 8.01), ('m', [], '3H', 7.95, 7.88), ('dd', ['8.5Hz', '1.7Hz'], '1H', 7.72, 7.72), ('m', [], '1H', 7.68, 7.63), ('m', [], '1H', 7.55, 7.51), ('m', [], '2H', 7.45, 7.39), ('s', [], '9H', 1.57, 1.57)] | 22 | 14 | 22 |
10.1002_anie.202315269 | CC(C)(C)c1ccc2cc(-c3cc4ccccc4s3)c3sc4ccccc4c3c2c1 | 25 | 25 | [0.6903994 0.19296875 0.84504885 0.26757814] | [0.14691699 0.28242188 0.84946742 0.40664064] | 13C NMR | 151 MHz | CDCl3 | 150.78, 142.51, 140.50, 139.96, 139.79, 138.14, 136.94, 130.55, 130.31, 129.44, 127.90, 127.31, 125.55, 125.16, 124.84, 124.79, 124.33, 124.07, 123.26, 122.91, 122.33, 118.80, 35.69, 31.64 | null | [(150.78, None, None), (142.51, None, None), (140.5, None, None), (139.96, None, None), (139.79, None, None), (138.14, None, None), (136.94, None, None), (130.55, None, None), (130.31, None, None), (129.44, None, None), (127.9, None, None), (127.31, None, None), (125.55, None, None), (125.16, None, None), (124.84, None... | 28 | 26 | 24 |
10.1002_anie.202315269 | O(c1ccc2c(-c3ccccc3)cc3ccc(C(C)(C)C)cc3c2c1)C | 26 | 26 | [0.70365505 0.26328127 0.84394423 0.33828126] | [0.1474693 0.35703127 0.85057205 0.59140627] | 1H NMR | 600 MHz | CDCl3 | 8.61-8.60 (m, 1H), 8.18 (d, J = 2.6 Hz, 1H), 7.84 (dd, J = 10.9, 8.7 Hz, 2H), 7.70 (dd, J = 8.3, 1.9 Hz, 1H), 7.55-7.49 (m, 5H), 7.47-7.43 (m, 1H), 7.18 (dd, J = 9.0, 2.6 Hz, 1H), 4.05 (s, 3H), 1.52 (s, 9H) | null | [('m', [], '1H', 8.61, 8.6), ('d', ['2.6Hz'], '1H', 8.18, 8.18), ('dd', ['10.9Hz', '8.7Hz'], '2H', 7.84, 7.84), ('dd', ['8.3Hz', '1.9Hz'], '1H', 7.7, 7.7), ('m', [], '5H', 7.55, 7.49), ('m', [], '1H', 7.47, 7.43), ('dd', ['9.0Hz', '2.6Hz'], '1H', 7.18, 7.18), ('s', [], '3H', 4.05, 4.05), ('s', [], '9H', 1.52, 1.52)] | 24 | 12 | 24 |
10.1002_anie.202315269 | O(c1ccc2c(-c3ccccc3)cc3ccc(C(C)(C)C)cc3c2c1)C | 26 | 26 | [0.70365505 0.26328127 0.84394423 0.33828126] | [0.1474693 0.35703127 0.85057205 0.59140627] | 13C NMR | 151 MHz | CDCl3 | 158.2, 149.1, 141.2, 138.1, 132.4, 130.2, 130.1, 129.1, 128.7, 128.5, 128.4, 127.4, 126.1, 125.5, 125.0, 118.2, 115.5, 105.0, 55.7, 35.4, 31.7 | null | [(158.2, None, None), (149.1, None, None), (141.2, None, None), (138.1, None, None), (132.4, None, None), (130.2, None, None), (130.1, None, None), (129.1, None, None), (128.7, None, None), (128.5, None, None), (128.4, None, None), (127.4, None, None), (126.1, None, None), (125.5, None, None), (125.0, None, None), (118... | 25 | 21 | 21 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.