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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1039_d3cc05531k | C(=C/c1ccccc1)\CN(/N=C/c1ccccc1)C1CCCCC1 | 31 | 31 | [0.15906802 0.51132815 0.39325148 0.60195318] | [0.14802163 0.62187503 0.84836274 0.69218753] | 13C NMR | 101 MHz | CDCl3 | 137.8, 137.0, 130.8, 129.4, 128.6, 128.4, 127.4, 126.6, 126.3, 125.3, 125.2, 65.7, 50.6, 31.3, 26.0 | null | [(137.8, None, None), (137.0, None, None), (130.8, None, None), (129.4, None, None), (128.6, None, None), (128.4, None, None), (127.4, None, None), (126.6, None, None), (126.3, None, None), (125.3, None, None), (125.2, None, None), (65.7, None, None), (50.6, None, None), (31.3, None, None), (26.0, None, None)] | 22 | 16 | 15 |
10.1039_d3cc05531k | Cc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 32 | 32 | [0.16238193 0.12109376 0.41755355 0.20917969] | [0.14802163 0.23242189 0.84725811 0.30351564] | 1H NMR | 400 MHz | CDCl3 | 7.72-7.61 (m, 2H), 7.47 (s, 1H), 7.44-7.38 (m, 2H), 7.37-7.27 (m, 4H), 7.26-7.17 (m, 3H), 7.09-6.89 (m, 3H), 6.40 (d, J = 16.0 Hz, 1H), 6.20-6.11 (m, 1H), 4.67-4.57 (m, 2H), 2.27 (s, 3H) | null | [('m', [], '2H', 7.72, 7.61), ('s', [], '1H', 7.47, 7.47), ('m', [], '2H', 7.44, 7.38), ('m', [], '4H', 7.37, 7.27), ('m', [], '3H', 7.26, 7.17), ('m', [], '3H', 7.09, 6.89), ('d', ['16.0Hz'], '1H', 6.4, 6.4), ('m', [], '1H', 6.2, 6.11), ('m', [], '2H', 4.67, 4.57), ('s', [], '3H', 2.27, 2.27)] | 22 | 13 | 22 |
10.1039_d3cc05531k | Cc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 32 | 32 | [0.16238193 0.12109376 0.41755355 0.20917969] | [0.14802163 0.23242189 0.84725811 0.30351564] | 13C NMR | 101 MHz | CDCl3 | 147.7, 137.6, 136.8, 133.7, 132.5, 131.3, 129.4, 129.2, 128.7, 128.0, 126.4, 126.3, 120.7, 115.0, 48.6, 21.3 | null | [(147.7, None, None), (137.6, None, None), (136.8, None, None), (133.7, None, None), (132.5, None, None), (131.3, None, None), (129.4, None, None), (129.2, None, None), (128.7, None, None), (128.0, None, None), (126.4, None, None), (126.3, None, None), (120.7, None, None), (115.0, None, None), (48.6, None, None), (21.3... | 23 | 17 | 16 |
10.1039_d3cc05531k | Cc1cccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)c1 | 32 | 32 | [0.16238193 0.54140626 0.41810586 0.62890625] | [0.14857395 0.65000006 0.84781045 0.72031256] | 1H NMR | 400 MHz | CDCl3 | 7.71-7.61 (m, 2H), 7.48-7.35 (m, 3H), 7.35-7.24 (m, 4H), 7.24-7.15 (m, 1H), 7.15-7.03 (m, 3H), 7.00-6.86 (m, 2H), 6.36 (d, J = 16.0 Hz, 1H), 6.21-6.07 (m, 1H), 4.61-4.48 (m, 2H), 2.30-2.12 (m, 3H) | null | [('m', [], '2H', 7.71, 7.61), ('m', [], '3H', 7.48, 7.35), ('m', [], '4H', 7.35, 7.24), ('m', [], '1H', 7.24, 7.15), ('m', [], '3H', 7.15, 7.03), ('m', [], '2H', 7.0, 6.86), ('d', ['16.0Hz'], '1H', 6.36, 6.36), ('m', [], '1H', 6.21, 6.07), ('m', [], '2H', 4.61, 4.48), ('m', [], '3H', 2.3, 2.12)] | 22 | 15 | 22 |
10.1039_d3cc05531k | Cc1cccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)c1 | 32 | 32 | [0.16238193 0.54140626 0.41810586 0.62890625] | [0.14857395 0.65000006 0.84781045 0.72031256] | 13C NMR | 101 MHz | CDCl3 | 147.8, 138.3, 136.9, 136.5, 132.6, 131.6, 129.4, 128.8, 128.7, 128.1, 127.5, 126.4, 123.6, 121.7, 120.9, 115.1, 48.5, 21.6 | null | [(147.8, None, None), (138.3, None, None), (136.9, None, None), (136.5, None, None), (132.6, None, None), (131.6, None, None), (129.4, None, None), (128.8, None, None), (128.7, None, None), (128.1, None, None), (127.5, None, None), (126.4, None, None), (123.6, None, None), (121.7, None, None), (120.9, None, None), (115... | 23 | 19 | 18 |
10.1039_d3cc05531k | Cc1ccccc1/C=C/CN(/N=C/c1ccccc1)c1ccccc1 | 33 | 33 | [0.17232369 0.15039063 0.40705947 0.23769533] | [0.14802163 0.26054689 0.84725811 0.33046876] | 1H NMR | 400 MHz | CDCl3 | 7.72-7.65 (m, 2H), 7.54 (s, 1H), 7.46-7.39 (m, 3H), 7.38-7.30 (m, 4H), 7.28-7.21 (m, 1H), 7.18-7.04 (m, 3H), 6.97-6.88 (m, 1H), 6.72-6.60 (m, 1H), 6.11-5.98 (m, 1H), 4.74-4.53 (m, 2H), 2.18 (s, 3H) | null | [('m', [], '2H', 7.72, 7.65), ('s', [], '1H', 7.54, 7.54), ('m', [], '3H', 7.46, 7.39), ('m', [], '4H', 7.38, 7.3), ('m', [], '1H', 7.28, 7.21), ('m', [], '3H', 7.18, 7.04), ('m', [], '1H', 6.97, 6.88), ('m', [], '1H', 6.72, 6.6), ('m', [], '1H', 6.11, 5.98), ('m', [], '2H', 4.74, 4.53), ('s', [], '3H', 2.18, 2.18)] | 22 | 15 | 22 |
10.1039_d3cc05531k | Cc1ccccc1/C=C/CN(/N=C/c1ccccc1)c1ccccc1 | 33 | 33 | [0.17232369 0.15039063 0.40705947 0.23769533] | [0.14802163 0.26054689 0.84725811 0.33046876] | 13C NMR | 101 MHz | CDCl3 | 147.7, 136.6, 135.8, 135.5, 132.6, 130.3, 129.9, 129.1, 128.6, 127.9, 127.6, 126.2, 126.1, 125.7, 123.2, 120.8, 115.1, 48.9, 19.8 | null | [(147.7, None, None), (136.6, None, None), (135.8, None, None), (135.5, None, None), (132.6, None, None), (130.3, None, None), (129.9, None, None), (129.1, None, None), (128.6, None, None), (127.9, None, None), (127.6, None, None), (126.2, None, None), (126.1, None, None), (125.7, None, None), (123.2, None, None), (120... | 23 | 19 | 19 |
10.1039_d3cc05531k | O(c1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1)C | 33 | 33 | [0.16003458 0.56484376 0.44406489 0.65390631] | [0.14857395 0.67734381 0.83289784 0.74765631] | 1H NMR | 400 MHz | CDCl3 | 7.69-7.64 (m, 2H), 7.44 (s, 1H), 7.42-7.37 (m, 2H), 7.35-7.27 (m, 4H), 7.23-7.16 (m, 3H), 6.95-6.87 (m, 1H), 6.75 (d, J = 8.4 Hz, 2H), 6.33 (d, J = 16.0 Hz, 1H), 6.07-5.96 (m, 1H), 4.60-4.51 (m, 2H), 3.66 (s, 3H) | null | [('m', [], '2H', 7.69, 7.64), ('s', [], '1H', 7.44, 7.44), ('m', [], '2H', 7.42, 7.37), ('m', [], '4H', 7.35, 7.27), ('m', [], '3H', 7.23, 7.16), ('m', [], '1H', 6.95, 6.87), ('d', ['8.4Hz'], '2H', 6.75, 6.75), ('d', ['16.0Hz'], '1H', 6.33, 6.33), ('m', [], '1H', 6.07, 5.96), ('m', [], '2H', 4.6, 4.51), ('s', [], '3H',... | 22 | 13 | 22 |
10.1039_d3cc05531k | O(c1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1)C | 33 | 33 | [0.16003458 0.56484376 0.44406489 0.65390631] | [0.14857395 0.67734381 0.83289784 0.74765631] | 13C NMR | 101 MHz | CDCl3 | 159.4, 147.8, 136.8, 132.5, 130.8, 129.3, 128.7, 128.0, 127.7, 126.4, 120.8, 119.5, 115.0, 114.1, 55.4, 48.5 | null | [(159.4, None, None), (147.8, None, None), (136.8, None, None), (132.5, None, None), (130.8, None, None), (129.3, None, None), (128.7, None, None), (128.0, None, None), (127.7, None, None), (126.4, None, None), (120.8, None, None), (119.5, None, None), (115.0, None, None), (114.1, None, None), (55.4, None, None), (48.5... | 23 | 17 | 16 |
10.1039_d3cc05531k | O(c1ccccc1/C=C/CN(/N=C/c1ccccc1)c1ccccc1)C | 34 | 34 | [0.16044882 0.17871096 0.39463228 0.26660158] | [0.14802163 0.28789064 0.83289784 0.35820315] | 1H NMR | 400 MHz | CDCl3 | 7.71-7.65 (m, 2H), 7.55 (s, 1H), 7.45-7.40 (m, 2H), 7.38-7.28 (m, 5H), 7.26-7.12 (m, 2H), 6.98-6.75 (m, 4H), 6.35-6.23 (m, 1H), 4.73-4.63 (m, 2H), 3.73 (s, 3H) | null | [('m', [], '2H', 7.71, 7.65), ('s', [], '1H', 7.55, 7.55), ('m', [], '2H', 7.45, 7.4), ('m', [], '5H', 7.38, 7.28), ('m', [], '2H', 7.26, 7.12), ('m', [], '4H', 6.98, 6.75), ('m', [], '1H', 6.35, 6.23), ('m', [], '2H', 4.73, 4.63), ('s', [], '3H', 3.73, 3.73)] | 22 | 15 | 22 |
10.1039_d3cc05531k | O(c1ccccc1/C=C/CN(/N=C/c1ccccc1)c1ccccc1)C | 34 | 34 | [0.16044882 0.17871096 0.39463228 0.26660158] | [0.14802163 0.28789064 0.83289784 0.35820315] | 13C NMR | 101 MHz | CDCl3 | 156.8, 147.8, 136.8, 132.5, 129.2, 128.8, 128.6, 127.8, 127.4, 127.2, 126.3, 123.1, 120.7, 115.1, 111.0, 55.4, 49.2 | null | [(156.8, None, None), (147.8, None, None), (136.8, None, None), (132.5, None, None), (129.2, None, None), (128.8, None, None), (128.6, None, None), (127.8, None, None), (127.4, None, None), (127.2, None, None), (126.3, None, None), (123.1, None, None), (120.7, None, None), (115.1, None, None), (111.0, None, None), (55.... | 23 | 19 | 17 |
10.1039_d3cc05531k | Fc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 34 | 34 | [0.15823954 0.59375004 0.41672506 0.68125006] | [0.14802163 0.7050782 0.83345013 0.7753907 ] | 1H NMR | 400 MHz | CDCl3 | 7.73-7.61 (m, 2H), 7.46-7.13 (m, 10H), 6.97-6.80 (m, 3H), 6.38-6.27 (m, 1H), 6.12-6.02 (m, 1H), 4.63-4.47 (m, 2H) | null | [('m', [], '2H', 7.73, 7.61), ('m', [], '10H', 7.46, 7.13), ('m', [], '3H', 6.97, 6.8), ('m', [], '1H', 6.38, 6.27), ('m', [], '1H', 6.12, 6.02), ('m', [], '2H', 4.63, 4.47)] | 19 | 12 | 19 |
10.1039_d3cc05531k | Fc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 34 | 34 | [0.15823954 0.59375004 0.41672506 0.68125006] | [0.14802163 0.7050782 0.83345013 0.7753907 ] | 13C NMR | 101 MHz | CDCl3 | 162.5 (d, J = 247.45 Hz), 147.7, 136.7, 132.7 (d, J = 3.03 Hz), 132.5, 130.2, 129.3, 128.8, 128.1 (d, J = 4.04 Hz), 126.4, 121.6, 120.9, 115.6 (d, J = 22.22 Hz), 115.0, 48.3 | null | [(162.5, 'd', 247.45), (147.7, None, None), (136.7, None, None), (132.7, 'd', 3.03), (132.5, None, None), (130.2, None, None), (129.3, None, None), (128.8, None, None), (128.1, 'd', 4.04), (126.4, None, None), (121.6, None, None), (120.9, None, None), (115.6, 'd', 22.22), (115.0, None, None), (48.3, None, None)] | 22 | 16 | 15 |
10.1039_d3cc05531k | Fc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 34 | 34 | [0.15823954 0.59375004 0.41672506 0.68125006] | [0.14802163 0.7050782 0.83345013 0.7753907 ] | 19F NMR | 376 MHz | CDCl3 | -113.9 | null | [(-113.9, None, None)] | 1 | 1 | 1 |
10.1039_d3cc05531k | Clc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 35 | 35 | [0.15603027 0.65234375 0.42169594 0.74609382] | [0.14857395 0.76640628 0.83400247 0.83671878] | 1H NMR | 400 MHz | CDCl3 | 7.71-7.65 (m, 2H), 7.47 (s, 1H), 7.44-7.30 (m, 6H), 7.28-7.20 (m, 5H), 6.99-6.92 (m, 1H), 6.42-6.35 (m, 1H), 6.27-6.17 (m, 1H), 4.74-4.61 (m, 2H) | null | [('m', [], '2H', 7.71, 7.65), ('s', [], '1H', 7.47, 7.47), ('m', [], '6H', 7.44, 7.3), ('m', [], '5H', 7.28, 7.2), ('m', [], '1H', 6.99, 6.92), ('m', [], '1H', 6.42, 6.35), ('m', [], '1H', 6.27, 6.17), ('m', [], '2H', 4.74, 4.61)] | 19 | 12 | 19 |
10.1039_d3cc05531k | Clc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 35 | 35 | [0.15603027 0.65234375 0.42169594 0.74609382] | [0.14857395 0.76640628 0.83400247 0.83671878] | 13C NMR | 101 MHz | CDCl3 | 147.5, 136.6, 134.9, 133.4, 132.5, 130.1, 129.2, 128.7, 128.6, 128.0, 127.6, 126.2, 122.5, 120.8, 114.9, 48.4 | null | [(147.5, None, None), (136.6, None, None), (134.9, None, None), (133.4, None, None), (132.5, None, None), (130.1, None, None), (129.2, None, None), (128.7, None, None), (128.6, None, None), (128.0, None, None), (127.6, None, None), (126.2, None, None), (122.5, None, None), (120.8, None, None), (114.9, None, None), (48.... | 22 | 16 | 16 |
10.1039_d3cc05531k | Clc1ccccc1/C=C/CN(/N=C/c1ccccc1)c1ccccc1 | 36 | 36 | [0.16652433 0.26152345 0.40126013 0.34941409] | [0.14857395 0.37148439 0.83289784 0.44257813] | 1H NMR | 400 MHz | CDCl3 | 7.73-7.65 (m, 2H), 7.46 (s, 1H), 7.43-7.21 (m, 9H), 7.21-7.13 (m, 2H), 6.99-6.91 (m, 1H), 6.41-6.32 (m, 1H), 6.29-6.19 (m, 1H), 4.72-4.58 (m, 2H) | null | [('m', [], '2H', 7.73, 7.65), ('s', [], '1H', 7.46, 7.46), ('m', [], '9H', 7.43, 7.21), ('m', [], '2H', 7.21, 7.13), ('m', [], '1H', 6.99, 6.91), ('m', [], '1H', 6.41, 6.32), ('m', [], '1H', 6.29, 6.19), ('m', [], '2H', 4.72, 4.58)] | 19 | 14 | 19 |
10.1039_d3cc05531k | Clc1ccccc1/C=C/CN(/N=C/c1ccccc1)c1ccccc1 | 36 | 36 | [0.16652433 0.26152345 0.40126013 0.34941409] | [0.14857395 0.37148439 0.83289784 0.44257813] | 13C NMR | 101 MHz | CDCl3 | 147.5, 136.5, 135.3, 132.5, 131.7, 130.2, 129.2, 128.6, 128.0, 126.2, 122.6, 121.5, 120.8, 114.9, 48.4 | null | [(147.5, None, None), (136.5, None, None), (135.3, None, None), (132.5, None, None), (131.7, None, None), (130.2, None, None), (129.2, None, None), (128.6, None, None), (128.0, None, None), (126.2, None, None), (122.6, None, None), (121.5, None, None), (120.8, None, None), (114.9, None, None), (48.4, None, None)] | 22 | 18 | 15 |
10.1039_d3cc05531k | Brc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 36 | 36 | [0.15616834 0.67734381 0.42141977 0.76484379] | [0.14857395 0.78828129 0.84836274 0.85859379] | 1H NMR | 400 MHz | CDCl3 | 7.73-7.64 (m, 2H), 7.54 (s, 1H), 7.46-7.18 (m, 9H), 7.17-7.04 (m, 2H), 6.98-6.86 (m, 2H), 6.20-6.10 (m, 1H), 4.72-4.63 (m, 2H) | null | [('m', [], '2H', 7.73, 7.64), ('s', [], '1H', 7.54, 7.54), ('m', [], '9H', 7.46, 7.18), ('m', [], '2H', 7.17, 7.04), ('m', [], '2H', 6.98, 6.86), ('m', [], '1H', 6.2, 6.1), ('m', [], '2H', 4.72, 4.63)] | 19 | 12 | 19 |
10.1039_d3cc05531k | Brc1ccc(/C=C/CN(/N=C/c2ccccc2)c2ccccc2)cc1 | 36 | 36 | [0.15616834 0.67734381 0.42141977 0.76484379] | [0.14857395 0.78828129 0.84836274 0.85859379] | 13C NMR | 101 MHz | CDCl3 | 147.6, 136.7, 134.9, 133.1, 132.7, 129.4, 129.2, 128.9, 128.8, 128.7, 128.0, 127.3, 127.0, 126.3, 125.6, 120.9, 115.2, 48.7 | null | [(147.6, None, None), (136.7, None, None), (134.9, None, None), (133.1, None, None), (132.7, None, None), (129.4, None, None), (129.2, None, None), (128.9, None, None), (128.8, None, None), (128.7, None, None), (128.0, None, None), (127.3, None, None), (127.0, None, None), (126.3, None, None), (125.6, None, None), (120... | 22 | 16 | 18 |
10.1039_d3cc05531k | FC(C1C=C(/C=C/CN(C2C=CC=CC=2)/N=C/C2C=CC=CC=2)C=CC=1)(F)F | 37 | 37 | [0.1654197 0.27148439 0.40126013 0.35976564] | [0.14857395 0.38125001 0.84781045 0.45078127] | 1H NMR | 400 MHz | CDCl3 | 7.75-7.65 (m, 2H), 7.55 (s, 1H), 7.47-7.19 (m, 11H), 7.01-6.92 (m, 1H), 6.41 (dd, J = 16.0, 2.0 Hz, 1H), 6.33-6.22 (m, 1H), 4.70-4.56 (m, 2H) | null | [('m', [], '2H', 7.75, 7.65), ('s', [], '1H', 7.55, 7.55), ('m', [], '11H', 7.47, 7.19), ('m', [], '1H', 7.01, 6.92), ('dd', ['16.0Hz', '2.0Hz'], '1H', 6.41, 6.41), ('m', [], '1H', 6.33, 6.22), ('m', [], '2H', 4.7, 4.56)] | 19 | 14 | 19 |
10.1039_d3cc05531k | FC(C1C=C(/C=C/CN(C2C=CC=CC=2)/N=C/C2C=CC=CC=2)C=CC=1)(F)F | 37 | 37 | [0.1654197 0.27148439 0.40126013 0.35976564] | [0.14857395 0.38125001 0.84781045 0.45078127] | 13C NMR | 101 MHz | CDCl3 | 147.6, 137.2, 136.6, 132.5, 131.0 (d, J = 64.64 Hz, 32.32 Hz), 130.0, 129.8, 129.3, 129.1, 128.7, 128.1, 126.4, 124.3 (q, J = 8.08, 4.04 Hz), 124.2 (q, J = 546.41, 272.70 Hz), 123.9, 123.1 (q, J = 8.08, 4.04 Hz), 121.0, 114.9, 48.2 | null | [(147.6, None, None), (137.2, None, None), (136.6, None, None), (132.5, None, None), (131.0, 'd', [64.64, 32.32]), (130.0, None, None), (129.8, None, None), (129.3, None, None), (129.1, None, None), (128.7, None, None), (128.1, None, None), (126.4, None, None), (124.3, 'q', [8.08, 4.04]), (124.2, 'q', [546.41, 272.7]),... | 23 | 19 | 19 |
10.1039_d3cc05531k | FC(C1C=C(/C=C/CN(C2C=CC=CC=2)/N=C/C2C=CC=CC=2)C=CC=1)(F)F | 37 | 37 | [0.1654197 0.27148439 0.40126013 0.35976564] | [0.14857395 0.38125001 0.84781045 0.45078127] | 19F NMR | 376 MHz | CDCl3 | -62.5 | null | [(-62.5, None, None)] | 3 | 1 | 1 |
10.1039_d3cc05531k | C(=C/c1ccco1)\CN(/N=C/c1ccccc1)c1ccccc1 | 37 | 37 | [0.16279617 0.74296878 0.39269917 0.82890628] | [0.14802163 0.85312506 0.84836274 0.89687501] | 1H NMR | 400 MHz | CDCl3 | 7.74-7.64 (m, 2H), 7.44 (s, 1H), 7.42-7.28 (m, 7H), 7.27-7.18 (m, 1H), 6.98-6.90 (m, 1H), 6.33-6.26 (m, 1H), 6.24-6.17 (m, 2H), 6.12-6.06 (m, 1H), 4.68-4.58 (m, 2H) | null | [('m', [], '2H', 7.74, 7.64), ('s', [], '1H', 7.44, 7.44), ('m', [], '7H', 7.42, 7.28), ('m', [], '1H', 7.27, 7.18), ('m', [], '1H', 6.98, 6.9), ('m', [], '1H', 6.33, 6.26), ('m', [], '2H', 6.24, 6.17), ('m', [], '1H', 6.12, 6.06), ('m', [], '2H', 4.68, 4.58)] | 18 | 13 | 18 |
10.1039_d3cc05531k | C(=C/c1ccco1)\CN(/N=C/c1ccccc1)c1ccccc1 | 37 | 37 | [0.16279617 0.74296878 0.39269917 0.82890628] | [0.14802163 0.85312506 0.84836274 0.89687501] | 13C NMR | 101 MHz | CDCl3 | 152.2, 147.6, 142.0, 136.6, 132.5, 129.2, 128.6, 128.0, 126.3, 120.8, 120.3, 119.6, 114.8, 111.4, 108.3, 48.1 | null | [(152.2, None, None), (147.6, None, None), (142.0, None, None), (136.6, None, None), (132.5, None, None), (129.2, None, None), (128.6, None, None), (128.0, None, None), (126.3, None, None), (120.8, None, None), (120.3, None, None), (119.6, None, None), (114.8, None, None), (111.4, None, None), (108.3, None, None), (48.... | 20 | 16 | 16 |
10.1039_d3cc05531k | CCC/C=C/CN(/N=C/c1ccccc1)c1ccccc1 | 38 | 38 | [0.16900977 0.34453128 0.40429787 0.43359379] | [0.14857395 0.45468752 0.84781045 0.52578126] | 1H NMR | 400 MHz | CDCl3 | 7.65-7.52 (m, 2H), 7.37 (s, 1H), 7.32-7.18 (m, 6H), 7.18-7.12 (m, 1H), 6.90-6.75 (m, 1H), 5.52-5.27 (m, 2H), 4.53-4.31 (m, 2H), 1.97-1.85 (m, 2H), 1.31-1.11 (m, 2H), 0.84-0.66 (m, 3H) | null | [('m', [], '2H', 7.65, 7.52), ('s', [], '1H', 7.37, 7.37), ('m', [], '6H', 7.32, 7.18), ('m', [], '1H', 7.18, 7.12), ('m', [], '1H', 6.9, 6.75), ('m', [], '2H', 5.52, 5.27), ('m', [], '2H', 4.53, 4.31), ('m', [], '2H', 1.97, 1.85), ('m', [], '2H', 1.31, 1.11), ('m', [], '3H', 0.84, 0.66)] | 22 | 13 | 22 |
10.1039_d3cc05531k | CCC/C=C/CN(/N=C/c1ccccc1)c1ccccc1 | 38 | 38 | [0.16900977 0.34453128 0.40429787 0.43359379] | [0.14857395 0.45468752 0.84781045 0.52578126] | 13C NMR | 101 MHz | CDCl3 | 147.7, 136.9, 133.2, 132.2, 129.1, 128.6, 127.8, 126.1, 121.7, 120.5, 114.8, 48.1, 34.3, 22.3, 13.6 | null | [(147.7, None, None), (136.9, None, None), (133.2, None, None), (132.2, None, None), (129.1, None, None), (128.6, None, None), (127.8, None, None), (126.1, None, None), (121.7, None, None), (120.5, None, None), (114.8, None, None), (48.1, None, None), (34.3, None, None), (22.3, None, None), (13.6, None, None)] | 19 | 15 | 15 |
10.1039_d3cc05531k | C=CCCCC=CCN(N=Cc1ccccc1)c1ccccc1 | 38 | 38 | [0.15685874 0.76171882 0.43522776 0.85078129] | [0.14802163 0.87187503 0.84725811 0.88750003] | 1H NMR | 400 MHz | CDCl3 | 7.75-7.61 (m, 2H), 7.48-7.41 (m, 1H), 7.39-7.16 (m, 7H), 6.99-6.83 (m, 1H), 5.81-5.64 (m, 1H), 5.59-5.27 (m, 2H), 4.98-4.85 (m, 2H), 4.53-4.39 (m, 2H), 2.11-1.91 (m, 4H), 1.58-1.33 (m, 2H) | null | [('m', [], '2H', 7.75, 7.61), ('m', [], '1H', 7.48, 7.41), ('m', [], '7H', 7.39, 7.16), ('m', [], '1H', 6.99, 6.83), ('m', [], '1H', 5.81, 5.64), ('m', [], '2H', 5.59, 5.27), ('m', [], '2H', 4.98, 4.85), ('m', [], '2H', 4.53, 4.39), ('m', [], '4H', 2.11, 1.91), ('m', [], '2H', 1.58, 1.33)] | 24 | 15 | 24 |
10.1039_d3cc05531k | C=CCCCC=CCN(N=Cc1ccccc1)c1ccccc1 | 38 | 38 | [0.15685874 0.76171882 0.43522776 0.85078129] | [0.14802163 0.87187503 0.84725811 0.88750003] | 13C NMR | 101 MHz | CDCl3 | 147.6, 138.6, 136.9, 133.0, 132.2, 129.1, 128.6, 127.8, 126.2, 121.9, 114.8, 114.7, 48.1, 48.0, 33.2, 31.6, 28.4 | null | [(147.6, None, None), (138.6, None, None), (136.9, None, None), (133.0, None, None), (132.2, None, None), (129.1, None, None), (128.6, None, None), (127.8, None, None), (126.2, None, None), (121.9, None, None), (114.8, None, None), (114.7, None, None), (48.1, None, None), (48.0, None, None), (33.2, None, None), (31.6, ... | 21 | 17 | 17 |
10.1039_d3cc05531k | C/C=C/CN(/N=C/c1ccccc1)c1ccccc1 | 39 | 39 | [0.16459122 0.37382815 0.35790303 0.45976565] | [0.14691699 0.48242191 0.84725811 0.55351565] | 1H NMR | 400 MHz | CDCl3 | 7.79-7.58 (m, 2H), 7.55-7.15 (m, 8H), 6.93-6.87 (m, 1H), 5.73-5.27 (m, 2H), 4.61-4.29 (m, 2H), 1.84-1.58 (m, 3H) | null | [('m', [], '2H', 7.79, 7.58), ('m', [], '8H', 7.55, 7.15), ('m', [], '1H', 6.93, 6.87), ('m', [], '2H', 5.73, 5.27), ('m', [], '2H', 4.61, 4.29), ('m', [], '3H', 1.84, 1.58)] | 18 | 11 | 18 |
10.1039_d3cc05531k | C/C=C/CN(/N=C/c1ccccc1)c1ccccc1 | 39 | 39 | [0.16459122 0.37382815 0.35790303 0.45976565] | [0.14691699 0.48242191 0.84725811 0.55351565] | 13C NMR | 101 MHz | CDCl3 | 147.6, 136.9, 132.0, 129.1, 128.6, 127.8, 127.7, 126.1, 126.1, 122.7, 120.4, 114.7, 47.8, 17.7 | null | [(147.6, None, None), (136.9, None, None), (132.0, None, None), (129.1, None, None), (128.6, None, None), (127.8, None, None), (127.7, None, None), (126.1, None, None), (126.1, None, None), (122.7, None, None), (120.4, None, None), (114.7, None, None), (47.8, None, None), (17.7, None, None)] | 17 | 13 | 14 |
10.1039_d3cc05531k | Cc1ccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)cc1 | 40 | 40 | [0.15616834 0.77148445 0.42252443 0.85312506] | [0.14802163 0.87812504 0.84615348 0.89375004] | 1H NMR | 400 MHz | CDCl3 | 7.59-7.43 (m, 5H), 7.42-7.37 (m, 2H), 7.32-7.26 (m, 2H), 7.25-7.14 (m, 6H), 6.66 (d, J = 16.0 Hz, 1H), 6.61-6.50 (m, 1H), 4.03-3.92 (m, 2H), 2.37 (s, 3H) | null | [('m', [], '5H', 7.59, 7.43), ('m', [], '2H', 7.42, 7.37), ('m', [], '2H', 7.32, 7.26), ('m', [], '6H', 7.25, 7.14), ('d', ['16.0Hz'], '1H', 6.66, 6.66), ('m', [], '1H', 6.61, 6.5), ('m', [], '2H', 4.03, 3.92), ('s', [], '3H', 2.37, 2.37)] | 22 | 13 | 22 |
10.1039_d3cc05531k | Cc1ccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)cc1 | 40 | 40 | [0.15616834 0.77148445 0.42252443 0.85312506] | [0.14802163 0.87812504 0.84615348 0.89375004] | 13C NMR | 101 MHz | CDCl3 | 172.9, 141.9, 140.3, 137.4, 135.9, 133.1, 131.6, 130.2, 129.5, 129.3, 128.5, 127.3, 127.2, 126.3, 123.5, 38.7, 21.5 | null | [(172.9, None, None), (141.9, None, None), (140.3, None, None), (137.4, None, None), (135.9, None, None), (133.1, None, None), (131.6, None, None), (130.2, None, None), (129.5, None, None), (129.3, None, None), (128.5, None, None), (127.3, None, None), (127.2, None, None), (126.3, None, None), (123.5, None, None), (38.... | 24 | 18 | 17 |
10.1039_d3cc05531k | O(c1ccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)cc1)C | 41 | 41 | [0.16017266 0.43398439 0.4645007 0.52773439] | [0.14802163 0.55703126 0.84836274 0.65234375] | 1H NMR | 400 MHz | CDCl3 | 7.59-7.50 (m, 4H), 7.49-7.43 (m, 1H), 7.42-7.36 (m, 2H), 7.33-7.26 (m, 2H), 7.25-7.13 (m, 4H), 6.94-6.85 (m, 2H), 6.66 (d, J = 16.0 Hz, 1H), 6.61-6.50 (m, 1H), 4.04-3.90 (m, 2H), 3.81 (s, 3H) | null | [('m', [], '4H', 7.59, 7.5), ('m', [], '1H', 7.49, 7.43), ('m', [], '2H', 7.42, 7.36), ('m', [], '2H', 7.33, 7.26), ('m', [], '4H', 7.25, 7.13), ('m', [], '2H', 6.94, 6.85), ('d', ['16.0Hz'], '1H', 6.66, 6.66), ('m', [], '1H', 6.61, 6.5), ('m', [], '2H', 4.04, 3.9), ('s', [], '3H', 3.81, 3.81)] | 22 | 13 | 22 |
10.1039_d3cc05531k | O(c1ccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)cc1)C | 41 | 41 | [0.16017266 0.43398439 0.4645007 0.52773439] | [0.14802163 0.55703126 0.84836274 0.65234375] | 13C NMR | 101 MHz | CDCl3 | 172.8, 161.1, 141.7, 137.4, 136.0, 133.1, 130.2, 129.3, 128.7, 128.5, 127.3, 127.1, 126.3, 123.5, 114.2, 55.4, 38.7 | null | [(172.8, None, None), (161.1, None, None), (141.7, None, None), (137.4, None, None), (136.0, None, None), (133.1, None, None), (130.2, None, None), (129.3, None, None), (128.7, None, None), (128.5, None, None), (127.3, None, None), (127.1, None, None), (126.3, None, None), (123.5, None, None), (114.2, None, None), (55.... | 24 | 18 | 17 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccc(F)cc1)c1ccccc1 | 42 | 42 | [0.15616834 0.09472657 0.43688473 0.18496095] | [0.14802163 0.2046875 0.84836274 0.30312501] | 1H NMR | 400 MHz | CDCl3 | 7.64-7.51 (m, 4H), 7.50-7.44 (m, 1H), 7.43-7.35 (m, 2H), 7.33-7.26 (m, 2H), 7.24-7.13 (m, 4H), 7.11-7.00 (m, 2H), 6.65 (d, J = 16.0 Hz, 1H), 6.59-6.48 (m, 1H), 4.09-3.83 (m, 2H) | null | [('m', [], '4H', 7.64, 7.51), ('m', [], '1H', 7.5, 7.44), ('m', [], '2H', 7.43, 7.35), ('m', [], '2H', 7.33, 7.26), ('m', [], '4H', 7.24, 7.13), ('m', [], '2H', 7.11, 7.0), ('d', ['16.0Hz'], '1H', 6.65, 6.65), ('m', [], '1H', 6.59, 6.48), ('m', [], '2H', 4.09, 3.83)] | 19 | 12 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccc(F)cc1)c1ccccc1 | 42 | 42 | [0.15616834 0.09472657 0.43688473 0.18496095] | [0.14802163 0.2046875 0.84836274 0.30312501] | 13C NMR | 101 MHz | CDCl3 | 172.9, 163.7 (d, J = 251.49 Hz), 140.5, 137.3, 135.8, 133.2, 130.6 (d, J = 4.04 Hz), 130.3, 129.4, 129.3, 129.0 (d, J = 8.08 Hz), 128.5, 127.4, 126.3, 123.3 | null | [(172.9, None, None), (163.7, 'd', 251.49), (140.5, None, None), (137.3, None, None), (135.8, None, None), (133.2, None, None), (130.6, 'd', 4.04), (130.3, None, None), (129.4, None, None), (129.3, None, None), (129.0, 'd', 8.08), (128.5, None, None), (127.4, None, None), (126.3, None, None), (123.3, None, None)] | 23 | 17 | 15 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccc(F)cc1)c1ccccc1 | 42 | 42 | [0.15616834 0.09472657 0.43688473 0.18496095] | [0.14802163 0.2046875 0.84836274 0.30312501] | 19F NMR | 376 MHz | CDCl3 | -110.1 | null | [(-110.1, None, None)] | 1 | 1 | 1 |
10.1039_d3cc05531k | Cc1cccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)c1 | 42 | 42 | [0.15796338 0.62421879 0.41755355 0.71015629] | [0.1474693 0.73281251 0.84836274 0.82968756] | 1H NMR | 400 MHz | CDCl3 | 7.57-7.50 (m, 2H), 7.48-7.35 (m, 5H), 7.33-7.23 (m, 4H), 7.22-7.13 (m, 4H), 6.67 (d, J = 16.0 Hz, 1H), 6.60-6.50 (m, 1H), 4.06-3.88 (m, 2H), 2.35 (s, 3H) | null | [('m', [], '2H', 7.57, 7.5), ('m', [], '5H', 7.48, 7.35), ('m', [], '4H', 7.33, 7.23), ('m', [], '4H', 7.22, 7.13), ('d', ['16.0Hz'], '1H', 6.67, 6.67), ('m', [], '1H', 6.6, 6.5), ('m', [], '2H', 4.06, 3.88), ('s', [], '3H', 2.35, 2.35)] | 22 | 15 | 22 |
10.1039_d3cc05531k | Cc1cccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)c1 | 42 | 42 | [0.15796338 0.62421879 0.41755355 0.71015629] | [0.1474693 0.73281251 0.84836274 0.82968756] | 13C NMR | 101 MHz | CDCl3 | 173.0, 142.1, 138.5, 137.4, 135.9, 134.3, 133.2, 130.9, 130.3, 129.4, 129.3, 128.7, 128.5, 127.9, 127.3, 126.3, 124.4, 123.4, 38.7, 21.4 | null | [(173.0, None, None), (142.1, None, None), (138.5, None, None), (137.4, None, None), (135.9, None, None), (134.3, None, None), (133.2, None, None), (130.9, None, None), (130.3, None, None), (129.4, None, None), (129.3, None, None), (128.7, None, None), (128.5, None, None), (127.9, None, None), (127.3, None, None), (126... | 24 | 20 | 20 |
10.1039_d3cc05531k | O(c1cccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)c1)C | 43 | 43 | [0.15464947 0.34531252 0.46008214 0.43515627] | [0.14802163 0.45468752 0.84836274 0.55156253] | 1H NMR | 400 MHz | CDCl3 | 7.59-7.51 (m, 2H), 7.50-7.42 (m, 1H), 7.42-7.36 (m, 2H), 7.31-7.25 (m, 3H), 7.23 (d, J = 1.2 Hz, 1H), 7.22-7.10 (m, 5H), 6.95-6.87 (m, 1H), 6.66 (d, J = 16.0 Hz, 1H), 6.61-6.49 (m, 1H), 4.03-3.92 (m, 2H), 3.80 (s, 3H) | null | [('m', [], '2H', 7.59, 7.51), ('m', [], '1H', 7.5, 7.42), ('m', [], '2H', 7.42, 7.36), ('m', [], '3H', 7.31, 7.25), ('d', ['1.2Hz'], '1H', 7.23, 7.23), ('m', [], '5H', 7.22, 7.1), ('m', [], '1H', 6.95, 6.87), ('d', ['16.0Hz'], '1H', 6.66, 6.66), ('m', [], '1H', 6.61, 6.49), ('m', [], '2H', 4.03, 3.92), ('s', [], '3H', ... | 22 | 15 | 22 |
10.1039_d3cc05531k | O(c1cccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)c1)C | 43 | 43 | [0.15464947 0.34531252 0.46008214 0.43515627] | [0.14802163 0.45468752 0.84836274 0.55156253] | 13C NMR | 101 MHz | CDCl3 | 172.9, 160.0, 141.7, 137.4, 135.9, 135.7, 133.2, 130.3, 129.8, 129.4, 129.3, 128.5, 127.4, 126.3, 123.4, 120.2, 116.0, 111.8, 55.4, 38.7 | null | [(172.9, None, None), (160.0, None, None), (141.7, None, None), (137.4, None, None), (135.9, None, None), (135.7, None, None), (133.2, None, None), (130.3, None, None), (129.8, None, None), (129.4, None, None), (129.3, None, None), (128.5, None, None), (127.4, None, None), (126.3, None, None), (123.4, None, None), (120... | 24 | 20 | 20 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1F)c1ccccc1 | 44 | 44 | [0.16017266 0.09423829 0.42418137 0.18544923] | [0.14802163 0.2046875 0.84836274 0.30312501] | 1H NMR | 400 MHz | CDCl3 | 8.02-7.95 (m, 1H), 7.61-7.45 (m, 4H), 7.43-7.27 (m, 5H), 7.26-7.15 (m, 4H), 7.07-6.98 (m, 1H), 6.66 (d, J = 16.0 Hz, 1H), 6.61-6.5 (m, 1H), 4.08-3.82 (m, 2H) | null | [('m', [], '1H', 8.02, 7.95), ('m', [], '4H', 7.61, 7.45), ('m', [], '5H', 7.43, 7.27), ('m', [], '4H', 7.26, 7.15), ('m', [], '1H', 7.07, 6.98), ('d', ['16.0Hz'], '1H', 6.66, 6.66), ('m', [], '1H', 6.61, 6.5), ('m', [], '2H', 4.08, 3.82)] | 19 | 14 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1F)c1ccccc1 | 44 | 44 | [0.16017266 0.09423829 0.42418137 0.18544923] | [0.14802163 0.2046875 0.84836274 0.30312501] | 13C NMR | 101 MHz | CDCl3 | 173.0, 161.4 (d, J = 253.51 Hz), 137.3, 133.2, 131.4 (d, J = 8.08 Hz), 130.3, 129.5, 129.1, 128.5, 127.3, 126.6, 126.3, 124.5 (d, J = 4.04 Hz), 123.2, 115.9 (d, J = 21.21 Hz), 38.7 | null | [(173.0, None, None), (161.4, 'd', 253.51), (137.3, None, None), (133.2, None, None), (131.4, 'd', 8.08), (130.3, None, None), (129.5, None, None), (129.1, None, None), (128.5, None, None), (127.3, None, None), (126.6, None, None), (126.3, None, None), (124.5, 'd', 4.04), (123.2, None, None), (115.9, 'd', 21.21), (38.7... | 23 | 19 | 16 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1F)c1ccccc1 | 44 | 44 | [0.16017266 0.09423829 0.42418137 0.18544923] | [0.14802163 0.2046875 0.84836274 0.30312501] | 19F NMR | 376 MHz | CDCl3 | -120.7 | null | [(-120.7, None, None)] | 1 | 1 | 1 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1Cl)c1ccccc1 | 44 | 44 | [0.1557541 0.62109375 0.41203035 0.71484382] | [0.1474693 0.73359379 0.84781045 0.82890628] | 1H NMR | 400 MHz | CDCl3 | 8.11-8.01 (m, 1H), 7.71 (s, 1H), 7.56 (t, J = 7.6 Hz, 2H), 7.51-7.44 (m, 1H), 7.39 (d, J = 7.2 Hz, 2H), 7.35-7.25 (m, 5H), 7.24-7.15 (m, 3H), 6.65 (d, J = 16.0 Hz, 1H), 6.60-6.48 (m, 1H), 4.03-3.89 (m, 2H) | null | [('m', [], '1H', 8.11, 8.01), ('s', [], '1H', 7.71, 7.71), ('t', ['7.6Hz'], '2H', 7.56, 7.56), ('m', [], '1H', 7.51, 7.44), ('d', ['7.2Hz'], '2H', 7.39, 7.39), ('m', [], '5H', 7.35, 7.25), ('m', [], '3H', 7.24, 7.15), ('d', ['16.0Hz'], '1H', 6.65, 6.65), ('m', [], '1H', 6.6, 6.48), ('m', [], '2H', 4.03, 3.89)] | 19 | 14 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1Cl)c1ccccc1 | 44 | 44 | [0.1557541 0.62109375 0.41203035 0.71484382] | [0.1474693 0.73359379 0.84781045 0.82890628] | 13C NMR | 101 MHz | CDCl3 | 172.9, 138.7, 137.3, 135.7, 134.5, 133.3, 131.8, 130.8, 130.3, 129.9, 129.6, 129.0, 128.5, 127.4, 127.1, 127.0, 126.3, 123.2, 38.7 | null | [(172.9, None, None), (138.7, None, None), (137.3, None, None), (135.7, None, None), (134.5, None, None), (133.3, None, None), (131.8, None, None), (130.8, None, None), (130.3, None, None), (129.9, None, None), (129.6, None, None), (129.0, None, None), (128.5, None, None), (127.4, None, None), (127.1, None, None), (127... | 23 | 19 | 19 |
10.1039_d3cc05531k | Cc1cc(C)c(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)c(C)c1 | 45 | 45 | [0.15658258 0.35000001 0.40291708 0.42968754] | [0.14802163 0.45546876 0.84670582 0.55234377] | 1H NMR | 400 MHz | CDCl3 | 7.62 (s, 1H), 7.55 (t, J = 7.6 Hz, 2H), 7.49-7.43 (m, 1H), 7.41-7.35 (m, 2H), 7.32-7.26 (m, 2H), 7.26-7.16 (m, 3H), 6.86 (s, 2H), 6.63-6.48 (m, 2H), 3.97-3.82 (m, 2H), 2.29 (d, J = 13.6 Hz, 9H) | null | [('s', [], '1H', 7.62, 7.62), ('t', ['7.6Hz'], '2H', 7.55, 7.55), ('m', [], '1H', 7.49, 7.43), ('m', [], '2H', 7.41, 7.35), ('m', [], '2H', 7.32, 7.26), ('m', [], '3H', 7.26, 7.16), ('s', [], '2H', 6.86, 6.86), ('m', [], '2H', 6.63, 6.48), ('m', [], '2H', 3.97, 3.82), ('d', ['13.6Hz'], '9H', 2.29, 2.29)] | 26 | 13 | 26 |
10.1039_d3cc05531k | Cc1cc(C)c(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)c(C)c1 | 45 | 45 | [0.15658258 0.35000001 0.40291708 0.42968754] | [0.14802163 0.45546876 0.84670582 0.55234377] | 13C NMR | 101 MHz | CDCl3 | 172.9, 142.8, 138.9, 137.5, 137.4, 136.1, 132.9, 130.3, 129.7, 129.3, 128.5, 128.1, 127.3, 126.3, 123.5, 38.4, 21.3, 21.1 | null | [(172.9, None, None), (142.8, None, None), (138.9, None, None), (137.5, None, None), (137.4, None, None), (136.1, None, None), (132.9, None, None), (130.3, None, None), (129.7, None, None), (129.3, None, None), (128.5, None, None), (128.1, None, None), (127.3, None, None), (126.3, None, None), (123.5, None, None), (38.... | 26 | 19 | 18 |
10.1039_d3cc05531k | C(c1ccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)cc1)(F)(F)F | 46 | 46 | [0.15672067 0.09316407 0.45842517 0.18867188] | [0.14802163 0.2046875 0.84781045 0.30312501] | 1H NMR | 400 MHz | CDCl3 | 7.72 (d, J = 8.0 Hz, 2H), 7.63 (d, J = 8.4 Hz, 2H), 7.60-7.54 (m, 2H), 7.53-7.45 (m, 1H), 7.39 (d, J = 7.6 Hz, 2H), 7.34-7.25 (m, 3H), 7.25-7.15 (m, 3H), 6.66 (d, J = 16.0 Hz, 1H), 6.59-6.46 (m, 1H), 4.11-3.80 (m, 2H) | null | [('d', ['8.0Hz'], '2H', 7.72, 7.72), ('d', ['8.4Hz'], '2H', 7.63, 7.63), ('m', [], '2H', 7.6, 7.54), ('m', [], '1H', 7.53, 7.45), ('d', ['7.6Hz'], '2H', 7.39, 7.39), ('m', [], '3H', 7.34, 7.25), ('m', [], '3H', 7.25, 7.15), ('d', ['16.0Hz'], '1H', 6.66, 6.66), ('m', [], '1H', 6.59, 6.46), ('m', [], '2H', 4.11, 3.8)] | 19 | 12 | 19 |
10.1039_d3cc05531k | C(c1ccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)cc1)(F)(F)F | 46 | 46 | [0.15672067 0.09316407 0.45842517 0.18867188] | [0.14802163 0.2046875 0.84781045 0.30312501] | 13C NMR | 101 MHz | CDCl3 | 173.0, 139.9, 137.7, 137.2, 135.6, 133.4, 131.4 (q, J = 65.29, 32.61 Hz), 130.4, 129.6, 129.1, 128.5, 127.4, 127.3, 126.3, 125.7 (q, J = 546.41, 272.70 Hz), 123.9 (q, J = 7.07, 3.03 Hz), 123.0, 38.6 | null | [(173.0, None, None), (139.9, None, None), (137.7, None, None), (137.2, None, None), (135.6, None, None), (133.4, None, None), (131.4, 'q', [65.29, 32.61]), (130.4, None, None), (129.6, None, None), (129.1, None, None), (128.5, None, None), (127.4, None, None), (127.3, None, None), (126.3, None, None), (125.7, 'q', [54... | 24 | 18 | 18 |
10.1039_d3cc05531k | C(c1ccc(/C=N/N(C(=O)C/C=C/c2ccccc2)c2ccccc2)cc1)(F)(F)F | 46 | 46 | [0.15672067 0.09316407 0.45842517 0.18867188] | [0.14802163 0.2046875 0.84781045 0.30312501] | 19F NMR | 376 MHz | CDCl3 | -62.7 | null | [(-62.7, None, None)] | 3 | 1 | 1 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1cccc2ccccc12)c1ccccc1 | 46 | 46 | [0.15823954 0.62421879 0.43495159 0.71093757] | [0.1474693 0.73281251 0.84725811 0.83125004] | 1H NMR | 400 MHz | CDCl3 | 8.40-8.31 (m, 1H), 7.96 (s, 1H), 7.89-7.79 (m, 3H), 7.63-7.55 (m, 2H), 7.54-7.43 (m, 4H), 7.43-7.36 (m, 2H), 7.32-7.24 (m, 4H), 7.22-7.14 (m, 1H), 6.76-6.54 (m, 2H), 4.15-3.92 (m, 2H) | null | [('m', [], '1H', 8.4, 8.31), ('s', [], '1H', 7.96, 7.96), ('m', [], '3H', 7.89, 7.79), ('m', [], '2H', 7.63, 7.55), ('m', [], '4H', 7.54, 7.43), ('m', [], '2H', 7.43, 7.36), ('m', [], '4H', 7.32, 7.24), ('m', [], '1H', 7.22, 7.14), ('m', [], '2H', 6.76, 6.54), ('m', [], '2H', 4.15, 3.92)] | 22 | 17 | 22 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1cccc2ccccc12)c1ccccc1 | 46 | 46 | [0.15823954 0.62421879 0.43495159 0.71093757] | [0.1474693 0.73281251 0.84725811 0.83125004] | 13C NMR | 101 MHz | CDCl3 | 173.0, 141.6, 137.4, 135.9, 134.0, 133.3, 130.8, 130.6, 130.4, 129.8, 129.5, 129.0, 128.6, 127.4, 127.1, 126.4, 126.2, 125.4, 123.7, 123.4, 38.8 | null | [(173.0, None, None), (141.6, None, None), (137.4, None, None), (135.9, None, None), (134.0, None, None), (133.3, None, None), (130.8, None, None), (130.6, None, None), (130.4, None, None), (129.8, None, None), (129.5, None, None), (129.0, None, None), (128.6, None, None), (127.4, None, None), (127.1, None, None), (126... | 27 | 23 | 21 |
10.1039_d3cc05531k | CCn1c2ccccc2c2ccc(/C=N/N(C(=O)C/C=C/c3ccccc3)c3ccccc3)cc21 | 47 | 47 | [0.16086306 0.3746094 0.48769811 0.47773442] | [0.14802163 0.50078128 0.84836274 0.59843753] | 1H NMR | 400 MHz | CDCl3 | 8.24-8.15 (m, 1H), 8.06 (d, J = 7.6 Hz, 1H), 7.90-7.82 (m, 1H), 7.62-7.52 (m, 2H), 7.52-7.45 (m, 3H), 7.44-7.37 (m, 4H), 7.33-7.14 (m, 6H), 6.77-6.54 (m, 2H), 4.34 (q, J = 7.2 Hz, 2H), 4.12-3.95 (m, 2H), 1.48-1.36 (m, 3H) | null | [('m', [], '1H', 8.24, 8.15), ('d', ['7.6Hz'], '1H', 8.06, 8.06), ('m', [], '1H', 7.9, 7.82), ('m', [], '2H', 7.62, 7.52), ('m', [], '3H', 7.52, 7.45), ('m', [], '4H', 7.44, 7.37), ('m', [], '6H', 7.33, 7.14), ('m', [], '2H', 6.77, 6.54), ('q', ['7.2Hz'], '2H', 4.34, 4.34), ('m', [], '2H', 4.12, 3.95), ('m', [], '3H', ... | 27 | 19 | 27 |
10.1039_d3cc05531k | CCn1c2ccccc2c2ccc(/C=N/N(C(=O)C/C=C/c3ccccc3)c3ccccc3)cc21 | 47 | 47 | [0.16086306 0.3746094 0.48769811 0.47773442] | [0.14802163 0.50078128 0.84836274 0.59843753] | 13C NMR | 101 MHz | CDCl3 | 172.8, 143.3, 141.0, 140.4, 137.5, 133.1, 130.2, 129.5, 129.2, 128.5, 127.3, 126.3, 125.4, 124.5, 123.8, 123.1, 122.9, 120.6, 119.5, 108.9, 38.9, 37.8, 13.9 | null | [(172.8, None, None), (143.3, None, None), (141.0, None, None), (140.4, None, None), (137.5, None, None), (133.1, None, None), (130.2, None, None), (129.5, None, None), (129.2, None, None), (128.5, None, None), (127.3, None, None), (126.3, None, None), (125.4, None, None), (124.5, None, None), (123.8, None, None), (123... | 31 | 27 | 23 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1cccs1)c1ccccc1 | 48 | 48 | [0.16265809 0.12382814 0.41451578 0.21093752] | [0.1474693 0.23281251 0.84670582 0.33007812] | 1H NMR | 400 MHz | CDCl3 | 7.60-7.51 (m, 2H), 7.51-7.45 (m, 1H), 7.41 (d, J = 8.0 Hz, 3H), 7.36 (d, J = 5.2 Hz, 1H), 7.34-7.24 (m, 2H), 7.24-7.15 (m, 3H), 7.07-7.03 (m, 1H), 7.03-6.97 (m, 1H), 6.70 (d, J = 16.0 Hz, 1H), 6.62-6.47 (m, 1H), 4.01-3.75 (m, 2H) | null | [('m', [], '2H', 7.6, 7.51), ('m', [], '1H', 7.51, 7.45), ('d', ['8.0Hz'], '3H', 7.41, 7.41), ('d', ['5.2Hz'], '1H', 7.36, 7.36), ('m', [], '2H', 7.34, 7.24), ('m', [], '3H', 7.24, 7.15), ('m', [], '1H', 7.07, 7.03), ('m', [], '1H', 7.03, 6.97), ('d', ['16.0Hz'], '1H', 6.7, 6.7), ('m', [], '1H', 6.62, 6.47), ('m', [], ... | 18 | 13 | 18 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1cccs1)c1ccccc1 | 48 | 48 | [0.16265809 0.12382814 0.41451578 0.21093752] | [0.1474693 0.23281251 0.84670582 0.33007812] | 13C NMR | 101 MHz | CDCl3 | 172.7, 139.7, 137.4, 136.2, 135.7, 133.3, 130.3, 129.7, 129.5, 129.2, 128.5, 127.8, 127.5, 127.3, 126.3, 123.3, 38.8 | null | [(172.7, None, None), (139.7, None, None), (137.4, None, None), (136.2, None, None), (135.7, None, None), (133.3, None, None), (130.3, None, None), (129.7, None, None), (129.5, None, None), (129.2, None, None), (128.5, None, None), (127.8, None, None), (127.5, None, None), (127.3, None, None), (126.3, None, None), (123... | 21 | 17 | 17 |
10.1039_d3cc05531k | Cc1ccc(N(/N=C/c2ccccc2)C(=O)C/C=C/c2ccccc2)cc1 | 48 | 48 | [0.15851569 0.62265631 0.41700123 0.72890626] | [0.14802163 0.75234376 0.84725811 0.84921881] | 1H NMR | 400 MHz | CDCl3 | 7.67-7.54 (m, 2H), 7.43-7.25 (m, 10H), 7.24-7.16 (m, 1H), 7.09-7.00 (m, 2H), 6.66 (d, J = 16.0 Hz, 1H), 6.61-6.49 (m, 1H), 4.07-3.88 (m, 2H), 2.42 (s, 3H) | null | [('m', [], '2H', 7.67, 7.54), ('m', [], '10H', 7.43, 7.25), ('m', [], '1H', 7.24, 7.16), ('m', [], '2H', 7.09, 7.0), ('d', ['16.0Hz'], '1H', 6.66, 6.66), ('m', [], '1H', 6.61, 6.49), ('m', [], '2H', 4.07, 3.88), ('s', [], '3H', 2.42, 2.42)] | 22 | 13 | 22 |
10.1039_d3cc05531k | Cc1ccc(N(/N=C/c2ccccc2)C(=O)C/C=C/c2ccccc2)cc1 | 48 | 48 | [0.15851569 0.62265631 0.41700123 0.72890626] | [0.14802163 0.75234376 0.84725811 0.84921881] | 13C NMR | 101 MHz | CDCl3 | 173.0, 141.7, 139.4, 137.4, 134.4, 133.1, 130.9, 129.9, 129.0, 128.8, 128.5, 127.3, 126.3, 123.5, 38.8, 21.4 | null | [(173.0, None, None), (141.7, None, None), (139.4, None, None), (137.4, None, None), (134.4, None, None), (133.1, None, None), (130.9, None, None), (129.9, None, None), (129.0, None, None), (128.8, None, None), (128.5, None, None), (127.3, None, None), (126.3, None, None), (123.5, None, None), (38.8, None, None), (21.4... | 24 | 18 | 16 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1)c1ccc(Cl)cc1 | 49 | 49 | [0.15741106 0.3433594 0.41368732 0.45507816] | [0.14802163 0.47343753 0.84781045 0.57109378] | 1H NMR | 400 MHz | CDCl3 | 7.66-7.57 (m, 2H), 7.56-7.50 (m, 2H), 7.44-7.36 (m, 5H), 7.34-7.25 (m, 3H), 7.24-7.18 (m, 1H), 7.17-7.10 (m, 2H), 6.66 (d, J = 16.0 Hz, 1H), 6.59-6.47 (m, 1H), 4.04-3.85 (m, 2H) | null | [('m', [], '2H', 7.66, 7.57), ('m', [], '2H', 7.56, 7.5), ('m', [], '5H', 7.44, 7.36), ('m', [], '3H', 7.34, 7.25), ('m', [], '1H', 7.24, 7.18), ('m', [], '2H', 7.17, 7.1), ('d', ['16.0Hz'], '1H', 6.66, 6.66), ('m', [], '1H', 6.59, 6.47), ('m', [], '2H', 4.04, 3.85)] | 19 | 12 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1)c1ccc(Cl)cc1 | 49 | 49 | [0.15741106 0.3433594 0.41368732 0.45507816] | [0.14802163 0.47343753 0.84781045 0.57109378] | 13C NMR | 101 MHz | CDCl3 | 172.9, 142.0, 137.2, 135.4, 134.3, 134.0, 133.4, 130.7, 130.6, 130.2, 128.8, 128.5, 127.4, 127.2, 126.3, 123.0, 38.6 | null | [(172.9, None, None), (142.0, None, None), (137.2, None, None), (135.4, None, None), (134.3, None, None), (134.0, None, None), (133.4, None, None), (130.7, None, None), (130.6, None, None), (130.2, None, None), (128.8, None, None), (128.5, None, None), (127.4, None, None), (127.2, None, None), (126.3, None, None), (123... | 23 | 17 | 17 |
10.1039_d3cc05531k | Cc1ccccc1N(/N=C/c1ccccc1)C(=O)C/C=C/c1ccccc1 | 50 | 50 | [0.15948226 0.10058595 0.44572186 0.19746094] | [0.14802163 0.22304689 0.84836274 0.32070314] | 1H NMR | 400 MHz | CDCl3 | 7.59-7.49 (m, 2H), 7.33-7.23 (m, 8H), 7.23-7.18 (m, 2H), 7.17-7.07 (m, 1H), 7.05-6.99 (m, 2H), 6.61 (d, J = 16.0 Hz, 1H), 6.55-6.42 (m, 1H), 3.98-3.83 (m, 2H), 2.00 (s, 3H) | null | [('m', [], '2H', 7.59, 7.49), ('m', [], '8H', 7.33, 7.23), ('m', [], '2H', 7.23, 7.18), ('m', [], '1H', 7.17, 7.07), ('m', [], '2H', 7.05, 6.99), ('d', ['16.0Hz'], '1H', 6.61, 6.61), ('m', [], '1H', 6.55, 6.42), ('m', [], '2H', 3.98, 3.83), ('s', [], '3H', 2.0, 2.0)] | 22 | 15 | 22 |
10.1039_d3cc05531k | Cc1ccccc1N(/N=C/c1ccccc1)C(=O)C/C=C/c1ccccc1 | 50 | 50 | [0.15948226 0.10058595 0.44572186 0.19746094] | [0.14802163 0.22304689 0.84836274 0.32070314] | 13C NMR | 101 MHz | CDCl3 | 172.6, 141.1, 137.4, 136.9, 134.6, 134.4, 133.3, 131.5, 130.0, 129.8, 129.3, 128.8, 128.5, 127.8, 127.3, 126.3, 123.3, 38.7, 17.4 | null | [(172.6, None, None), (141.1, None, None), (137.4, None, None), (136.9, None, None), (134.6, None, None), (134.4, None, None), (133.3, None, None), (131.5, None, None), (130.0, None, None), (129.8, None, None), (129.3, None, None), (128.8, None, None), (128.5, None, None), (127.8, None, None), (127.3, None, None), (126... | 24 | 20 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1)c1cccc(Cl)c1 | 50 | 50 | [0.15796338 0.61015628 0.41479195 0.70312507] | [0.14802163 0.71875007 0.84725811 0.81718753] | 1H NMR | 400 MHz | CDCl3 | 7.57-7.49 (m, 2H), 7.44-7.34 (m, 2H), 7.33-7.26 (m, 5H), 7.24-7.17 (m, 3H), 7.15-7.08 (m, 2H), 7.03-6.98 (m, 1H), 6.57 (d, J = 16.0 Hz, 1H), 6.51-6.38 (m, 1H), 4.02-3.71 (m, 2H) | null | [('m', [], '2H', 7.57, 7.49), ('m', [], '2H', 7.44, 7.34), ('m', [], '5H', 7.33, 7.26), ('m', [], '3H', 7.24, 7.17), ('m', [], '2H', 7.15, 7.08), ('m', [], '1H', 7.03, 6.98), ('d', ['16.0Hz'], '1H', 6.57, 6.57), ('m', [], '1H', 6.51, 6.38), ('m', [], '2H', 4.02, 3.71)] | 19 | 14 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccccc1)N(/N=C/c1ccccc1)c1cccc(Cl)c1 | 50 | 50 | [0.15796338 0.61015628 0.41479195 0.70312507] | [0.14802163 0.71875007 0.84725811 0.81718753] | 13C NMR | 101 MHz | CDCl3 | 171.8, 141.1, 136.2, 136.0, 134.7, 132.9, 132.4, 130.1, 129.1, 128.7, 128.6, 127.8, 127.5, 126.6, 126.3, 126.2, 125.2, 121.9, 37.5 | null | [(171.8, None, None), (141.1, None, None), (136.2, None, None), (136.0, None, None), (134.7, None, None), (132.9, None, None), (132.4, None, None), (130.1, None, None), (129.1, None, None), (128.7, None, None), (128.6, None, None), (127.8, None, None), (127.5, None, None), (126.6, None, None), (126.3, None, None), (126... | 23 | 19 | 19 |
10.1039_d3cc05531k | O(c1ccc(N(/N=C/c2ccccc2)C(=O)C/C=C/c2ccccc2)cc1)C(F)(F)F | 51 | 51 | [0.15409714 0.28906252 0.41258267 0.39843754] | [0.14857395 0.41718751 0.83400247 0.51562504] | 1H NMR | 400 MHz | CDCl3 | 7.67-7.58 (m, 2H), 7.47-7.36 (m, 7H), 7.35-7.17 (m, 6H), 6.67 (d, J = 16.0 Hz, 1H), 6.59-6.47 (m, 1H), 4.06-3.80 (m, 2H) | null | [('m', [], '2H', 7.67, 7.58), ('m', [], '7H', 7.47, 7.36), ('m', [], '6H', 7.35, 7.17), ('d', ['16.0Hz'], '1H', 6.67, 6.67), ('m', [], '1H', 6.59, 6.47), ('m', [], '2H', 4.06, 3.8)] | 19 | 12 | 19 |
10.1039_d3cc05531k | O(c1ccc(N(/N=C/c2ccccc2)C(=O)C/C=C/c2ccccc2)cc1)C(F)(F)F | 51 | 51 | [0.15409714 0.28906252 0.41258267 0.39843754] | [0.14857395 0.41718751 0.83400247 0.51562504] | 13C NMR | 101 MHz | CDCl3 | 173.0, 149.5, 142.0, 137.2, 134.1, 134.0, 133.4, 131.0, 130.2, 128.8, 128.5, 127.4, 127.3, 126.3, 122.9, 122.5, 120.4 (q, J = 517.12, 258.56 Hz), 38.6 | null | [(173.0, None, None), (149.5, None, None), (142.0, None, None), (137.2, None, None), (134.1, None, None), (134.0, None, None), (133.4, None, None), (131.0, None, None), (130.2, None, None), (128.8, None, None), (128.5, None, None), (127.4, None, None), (127.3, None, None), (126.3, None, None), (122.9, None, None), (122... | 24 | 18 | 18 |
10.1039_d3cc05531k | O(c1ccc(N(/N=C/c2ccccc2)C(=O)C/C=C/c2ccccc2)cc1)C(F)(F)F | 51 | 51 | [0.15409714 0.28906252 0.41258267 0.39843754] | [0.14857395 0.41718751 0.83400247 0.51562504] | 19F NMR | 376 MHz | CDCl3 | -57.8 | null | [(-57.8, None, None)] | 3 | 1 | 1 |
10.1039_d3cc05531k | O(c1ccc(CN(/N=C/c2ccccc2)C(=O)C/C=C/c2ccccc2)cc1)C | 52 | 52 | [0.16017266 0.09980469 0.3938038 0.18066408] | [0.14802163 0.2046875 0.83400247 0.30273439] | 1H NMR | 400 MHz | CDCl3 | 7.66 (s, 1H), 7.63-7.56 (m, 2H), 7.42-7.31 (m, 5H), 7.31-7.23 (m, 2H), 7.22-7.14 (m, 1H), 7.14-7.09 (m, 2H), 6.84-6.79 (m, 2H), 6.63 (d, J = 16.0 Hz, 1H), 6.59-6.49 (m, 1H), 5.18 (s, 2H), 3.92 (d, J = 6.8 Hz, 2H), 3.71 (s, 3H) | null | [('s', [], '1H', 7.66, 7.66), ('m', [], '2H', 7.63, 7.56), ('m', [], '5H', 7.42, 7.31), ('m', [], '2H', 7.31, 7.23), ('m', [], '1H', 7.22, 7.14), ('m', [], '2H', 7.14, 7.09), ('m', [], '2H', 6.84, 6.79), ('d', ['16.0Hz'], '1H', 6.63, 6.63), ('m', [], '1H', 6.59, 6.49), ('s', [], '2H', 5.18, 5.18), ('d', ['6.8Hz'], '2H'... | 24 | 14 | 24 |
10.1039_d3cc05531k | O(c1ccc(CN(/N=C/c2ccccc2)C(=O)C/C=C/c2ccccc2)cc1)C | 52 | 52 | [0.16017266 0.09980469 0.3938038 0.18066408] | [0.14802163 0.2046875 0.83400247 0.30273439] | 13C NMR | 101 MHz | CDCl3 | 173.4, 158.9, 140.1, 137.4, 134.7, 133.2, 129.8, 128.8, 128.6, 127.9, 127.4, 127.1, 127.0, 126.4, 123.6, 114.4, 55.3, 44.2, 38.5 | null | [(173.4, None, None), (158.9, None, None), (140.1, None, None), (137.4, None, None), (134.7, None, None), (133.2, None, None), (129.8, None, None), (128.8, None, None), (128.6, None, None), (127.9, None, None), (127.4, None, None), (127.1, None, None), (127.0, None, None), (126.4, None, None), (123.6, None, None), (114... | 25 | 19 | 19 |
10.1039_d3cc05531k | Cc1ccc(/C=C/CC(=O)N(/N=C/c2ccccc2)c2ccccc2)cc1 | 52 | 52 | [0.15837762 0.59921877 0.42583834 0.68046878] | [0.14802163 0.70546876 0.84725811 0.80312501] | 1H NMR | 400 MHz | CDCl3 | 7.65-7.58 (m, 2H), 7.54 (t, J = 7.6 Hz, 2H), 7.46 (t, J = 7.2 Hz, 1H), 7.41-7.33 (m, 3H), 7.32-7.23 (m, 3H), 7.22-7.13 (m, 2H), 7.10 (d, J = 8.0 Hz, 2H), 6.63 (d, J = 16.0 Hz, 1H), 6.56-6.44 (m, 1H), 4.03-3.82 (m, 2H), 2.31 (s, 3H) | null | [('m', [], '2H', 7.65, 7.58), ('t', ['7.6Hz'], '2H', 7.54, 7.54), ('t', ['7.2Hz'], '1H', 7.46, 7.46), ('m', [], '3H', 7.41, 7.33), ('m', [], '3H', 7.32, 7.23), ('m', [], '2H', 7.22, 7.13), ('d', ['8.0Hz'], '2H', 7.1, 7.1), ('d', ['16.0Hz'], '1H', 6.63, 6.63), ('m', [], '1H', 6.56, 6.44), ('m', [], '2H', 4.03, 3.82), ('... | 22 | 13 | 22 |
10.1039_d3cc05531k | Cc1ccc(/C=C/CC(=O)N(/N=C/c2ccccc2)c2ccccc2)cc1 | 52 | 52 | [0.15837762 0.59921877 0.42583834 0.68046878] | [0.14802163 0.70546876 0.84725811 0.80312501] | 13C NMR | 101 MHz | CDCl3 | 173.1, 141.7, 137.1, 135.9, 134.6, 134.3, 133.1, 130.3, 130.0, 129.4, 129.3, 129.2, 128.8, 127.2, 126.2, 122.3, 38.7, 21.2 | null | [(173.1, None, None), (141.7, None, None), (137.1, None, None), (135.9, None, None), (134.6, None, None), (134.3, None, None), (133.1, None, None), (130.3, None, None), (130.0, None, None), (129.4, None, None), (129.3, None, None), (129.2, None, None), (128.8, None, None), (127.2, None, None), (126.2, None, None), (122... | 24 | 18 | 18 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccc(F)cc1)N(/N=C/c1ccccc1)c1ccccc1 | 53 | 53 | [0.16072498 0.3152344 0.44130329 0.41132813] | [0.1474693 0.42734377 0.84670582 0.52500002] | 1H NMR | 400 MHz | CDCl3 | 7.65-7.58 (m, 2H), 7.57-7.51 (m, 2H), 7.50-7.43 (m, 1H), 7.42-7.30 (m, 5H), 7.27 (s, 1H), 7.23-7.14 (m, 2H), 7.02-6.91 (m, 2H), 6.61 (d, J = 16.0 Hz, 1H), 6.52-6.38 (m, 1H), 4.08-3.82 (m, 2H) | null | [('m', [], '2H', 7.65, 7.58), ('m', [], '2H', 7.57, 7.51), ('m', [], '1H', 7.5, 7.43), ('m', [], '5H', 7.42, 7.3), ('s', [], '1H', 7.27, 7.27), ('m', [], '2H', 7.23, 7.14), ('m', [], '2H', 7.02, 6.91), ('d', ['16.0Hz'], '1H', 6.61, 6.61), ('m', [], '1H', 6.52, 6.38), ('m', [], '2H', 4.08, 3.82)] | 19 | 12 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccc(F)cc1)N(/N=C/c1ccccc1)c1ccccc1 | 53 | 53 | [0.16072498 0.3152344 0.44130329 0.41132813] | [0.1474693 0.42734377 0.84670582 0.52500002] | 13C NMR | 101 MHz | CDCl3 | 172.9, 162.2 (d, J = 247.45 Hz), 141.9, 135.8, 134.3, 133.6, 132.0, 130.3, 130.0, 129.4, 129.3, 128.8, 127.8 (d, J = 7.07 Hz), 127.2, 123.1, 115.4 (d, J = 22.22 Hz), 38.6 | null | [(172.9, None, None), (162.2, 'd', 247.45), (141.9, None, None), (135.8, None, None), (134.3, None, None), (133.6, None, None), (132.0, None, None), (130.3, None, None), (130.0, None, None), (129.4, None, None), (129.3, None, None), (128.8, None, None), (127.8, 'd', 7.07), (127.2, None, None), (123.1, None, None), (115... | 23 | 17 | 17 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccc(F)cc1)N(/N=C/c1ccccc1)c1ccccc1 | 53 | 53 | [0.16072498 0.3152344 0.44130329 0.41132813] | [0.1474693 0.42734377 0.84670582 0.52500002] | 19F NMR | 376 MHz | CDCl3 | -114.9 | null | [(-114.9, None, None)] | 1 | 1 | 1 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccc(Br)cc1)N(/N=C/c1ccccc1)c1ccccc1 | 54 | 54 | [0.15616834 0.09296876 0.44572186 0.18789064] | [0.1474693 0.20507814 0.84891508 0.30273439] | 1H NMR | 400 MHz | CDCl3 | 7.64-7.57 (m, 2H), 7.57-7.51 (m, 2H), 7.50-7.44 (m, 1H), 7.44-7.33 (m, 5H), 7.29-7.21 (m, 3H), 7.20-7.15 (m, 2H), 6.63-6.49 (m, 2H), 4.08-3.82 (m, 2H) | null | [('m', [], '2H', 7.64, 7.57), ('m', [], '2H', 7.57, 7.51), ('m', [], '1H', 7.5, 7.44), ('m', [], '5H', 7.44, 7.33), ('m', [], '3H', 7.29, 7.21), ('m', [], '2H', 7.2, 7.15), ('m', [], '2H', 6.63, 6.49), ('m', [], '2H', 4.08, 3.82)] | 19 | 12 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1ccc(Br)cc1)N(/N=C/c1ccccc1)c1ccccc1 | 54 | 54 | [0.15616834 0.09296876 0.44572186 0.18789064] | [0.1474693 0.20507814 0.84891508 0.30273439] | 13C NMR | 101 MHz | CDCl3 | 172.7, 141.9, 136.3, 135.8, 134.2, 132.0, 131.6, 130.3, 130.0, 129.4, 129.2, 128.8, 127.9, 127.2, 124.3, 121.0, 38.6 | null | [(172.7, None, None), (141.9, None, None), (136.3, None, None), (135.8, None, None), (134.2, None, None), (132.0, None, None), (131.6, None, None), (130.3, None, None), (130.0, None, None), (129.4, None, None), (129.2, None, None), (128.8, None, None), (127.9, None, None), (127.2, None, None), (124.3, None, None), (121... | 23 | 17 | 17 |
10.1039_d3cc05531k | O(c1ccccc1/C=C/CC(=O)N(/N=C/c1ccccc1)c1ccccc1)C | 54 | 54 | [0.16044882 0.59453128 0.41617275 0.68671879] | [0.14802163 0.70546876 0.84725811 0.80312501] | 1H NMR | 400 MHz | CDCl3 | 7.65-7.58 (m, 2H), 7.57-7.51 (m, 2H), 7.51-7.41 (m, 2H), 7.40-7.30 (m, 3H), 7.25 (s, 1H), 7.23-7.14 (m, 3H), 7.00 (d, J = 16.0 Hz, 1H), 6.92-6.86 (m, 1H), 6.85-6.81 (m, 1H), 6.52-6.50 (m, 1H), 4.05-3.94 (m, 2H), 3.79 (s, 3H) | null | [('m', [], '2H', 7.65, 7.58), ('m', [], '2H', 7.57, 7.51), ('m', [], '2H', 7.51, 7.41), ('m', [], '3H', 7.4, 7.3), ('s', [], '1H', 7.25, 7.25), ('m', [], '3H', 7.23, 7.14), ('d', ['16.0Hz'], '1H', 7.0, 7.0), ('m', [], '1H', 6.92, 6.86), ('m', [], '1H', 6.85, 6.81), ('m', [], '1H', 6.52, 6.5), ('m', [], '2H', 4.05, 3.94... | 22 | 15 | 22 |
10.1039_d3cc05531k | O(c1ccccc1/C=C/CC(=O)N(/N=C/c1ccccc1)c1ccccc1)C | 54 | 54 | [0.16044882 0.59453128 0.41617275 0.68671879] | [0.14802163 0.70546876 0.84725811 0.80312501] | 13C NMR | 101 MHz | CDCl3 | 173.1, 156.6, 134.4, 130.2, 129.9, 129.3, 128.8, 128.4, 128.0, 127.3, 126.9, 126.5, 124.0, 120.7, 110.8, 55.5, 39.2 | null | [(173.1, None, None), (156.6, None, None), (134.4, None, None), (130.2, None, None), (129.9, None, None), (129.3, None, None), (128.8, None, None), (128.4, None, None), (128.0, None, None), (127.3, None, None), (126.9, None, None), (126.5, None, None), (124.0, None, None), (120.7, None, None), (110.8, None, None), (55.... | 24 | 20 | 17 |
10.1039_d3cc05531k | O=C(C/C=C/c1cccc(C(F)(F)F)c1)N(/N=C/c1ccccc1)c1ccccc1 | 55 | 55 | [0.15796338 0.34531252 0.45400665 0.43281251] | [0.1474693 0.45507816 0.84836274 0.55273441] | 1H NMR | 400 MHz | CDCl3 | 7.67-7.53 (m, 6H), 7.52-7.44 (m, 2H), 7.43-7.35 (m, 4H), 7.29 (s, 1H), 7.23-7.16 (m, 2H), 6.75-6.57 (m, 2H), 4.16-3.84 (m, 2H) | null | [('m', [], '6H', 7.67, 7.53), ('m', [], '2H', 7.52, 7.44), ('m', [], '4H', 7.43, 7.35), ('s', [], '1H', 7.29, 7.29), ('m', [], '2H', 7.23, 7.16), ('m', [], '2H', 6.75, 6.57), ('m', [], '2H', 4.16, 3.84)] | 19 | 14 | 19 |
10.1039_d3cc05531k | O=C(C/C=C/c1cccc(C(F)(F)F)c1)N(/N=C/c1ccccc1)c1ccccc1 | 55 | 55 | [0.15796338 0.34531252 0.45400665 0.43281251] | [0.1474693 0.45507816 0.84836274 0.55273441] | 13C NMR | 101 MHz | CDCl3 | 172.6, 142.1, 138.1, 134.2, 131.8, 130.9 (q, J = 64.64, 32.32 Hz), 130.3, 130.1, 129.4, 129.2, 128.9, 128.8, 127.2, 125.6, 124.2 (q, J = 547.42, 273.71 Hz), 123.8 (q, J = 7.07, 3.03 Hz), 123.0 (q, J = 7.07, 4.04 Hz), 38.4 | null | [(172.6, None, None), (142.1, None, None), (138.1, None, None), (134.2, None, None), (131.8, None, None), (130.9, 'q', [64.64, 32.32]), (130.3, None, None), (130.1, None, None), (129.4, None, None), (129.2, None, None), (128.9, None, None), (128.8, None, None), (127.2, None, None), (125.6, None, None), (124.2, 'q', [54... | 24 | 20 | 18 |
10.1039_d3cc05531k | O=C(C/C=C/c1cccc(C(F)(F)F)c1)N(/N=C/c1ccccc1)c1ccccc1 | 55 | 55 | [0.15796338 0.34531252 0.45400665 0.43281251] | [0.1474693 0.45507816 0.84836274 0.55273441] | 19F NMR | 376 MHz | CDCl3 | -62.7 | null | [(-62.7, None, None)] | 3 | 1 | 1 |
10.1039_d3cc05531k | CCC/C=C/CC(=O)N(/N=C/c1ccccc1)c1ccccc1 | 56 | 56 | [0.16058689 0.09423829 0.43909399 0.18154298] | [0.1474693 0.20507814 0.84891508 0.30273439] | 1H NMR | 400 MHz | CDCl3 | 7.64-7.51 (m, 4H), 7.50-7.44 (m, 1H), 7.41-7.31 (m, 3H), 7.24 (d, J = 8.0 Hz, 1H), 7.20-7.12 (m, 2H), 5.85-5.55 (m, 2H), 3.90-3.66 (m, 2H), 2.25-1.98 (m, 2H), 1.52-1.33 (m, 2H), 1.02-0.84 (m, 3H) | null | [('m', [], '4H', 7.64, 7.51), ('m', [], '1H', 7.5, 7.44), ('m', [], '3H', 7.41, 7.31), ('d', ['8.0Hz'], '1H', 7.24, 7.24), ('m', [], '2H', 7.2, 7.12), ('m', [], '2H', 5.85, 5.55), ('m', [], '2H', 3.9, 3.66), ('m', [], '2H', 2.25, 1.98), ('m', [], '2H', 1.52, 1.33), ('m', [], '3H', 1.02, 0.84)] | 22 | 13 | 22 |
10.1039_d3cc05531k | CCC/C=C/CC(=O)N(/N=C/c1ccccc1)c1ccccc1 | 56 | 56 | [0.16058689 0.09423829 0.43909399 0.18154298] | [0.1474693 0.20507814 0.84891508 0.30273439] | 13C NMR | 101 MHz | CDCl3 | 173.7, 141.4, 136.0, 134.4, 132.9, 130.2, 129.8, 129.3, 128.7, 127.2, 123.0, 122.3, 38.4, 34.8, 22.7, 22.5, 13.9, 13.7 | null | [(173.7, None, None), (141.4, None, None), (136.0, None, None), (134.4, None, None), (132.9, None, None), (130.2, None, None), (129.8, None, None), (129.3, None, None), (128.7, None, None), (127.2, None, None), (123.0, None, None), (122.3, None, None), (38.4, None, None), (34.8, None, None), (22.7, None, None), (22.5, ... | 20 | 16 | 18 |
10.1039_d3cc05531k | c1(/C=N/N(c2ccccc2)CCCc2ccccc2)ccccc1 | 57 | 57 | [0.63019655 0.16054689 0.7925785 0.19394532] | [0.15078323 0.5933594 0.83345013 0.6355469 ] | 1H NMR | 400 MHz | CDCl3 | 7.62-7.55 (m, 2H), 7.38-7.17 (m, 13H), 6.90 (m, 1H), 3.93-3.79 (m, 2H), 2.73 (m, 2H), 2.00 (m, 2H) | null | [('m', [], '2H', 7.62, 7.55), ('m', [], '13H', 7.38, 7.17), ('m', [], '1H', 6.9, 6.9), ('m', [], '2H', 3.93, 3.79), ('m', [], '2H', 2.73, 2.73), ('m', [], '2H', 2.0, 2.0)] | 22 | 13 | 22 |
10.1039_d3cc05531k | c1(/C=N/N(c2ccccc2)CCCc2ccccc2)ccccc1 | 57 | 57 | [0.63019655 0.16054689 0.7925785 0.19394532] | [0.15078323 0.5933594 0.83345013 0.6355469 ] | 13C NMR | 101 MHz | CDCl3 | 147.1, 141.1, 136.8, 131.2, 129.2, 128.7, 128.6, 127.7, 126.4, 126.1, 120.4, 114.8, 44.3, 33.1, 25.9 | null | [(147.1, None, None), (141.1, None, None), (136.8, None, None), (131.2, None, None), (129.2, None, None), (128.7, None, None), (128.6, None, None), (127.7, None, None), (126.4, None, None), (126.1, None, None), (120.4, None, None), (114.8, None, None), (44.3, None, None), (33.1, None, None), (25.9, None, None)] | 22 | 16 | 15 |
10.1039_d3cc05531k | c1ccc(C=CCN(c2ccccc2)NCc2ccccc2)cc1 | 57 | 58 | [0.63295814 0.79765628 0.79644473 0.83828126] | [0.14967859 0.34257815 0.84449651 0.41406254] | 1H NMR | 400 MHz | CDCl3 | 7.41-7.36 (m, 2H), 7.35-7.22 (m, 9H), 7.21-7.16 (m, 1H), 7.11-7.05 (m, 2H), 6.78 (m, 1H), 6.55 (dd, J = 16.0, 1.5 Hz, 1H), 6.19 (m, 1H), 4.21 (m, 2H), 4.01 (s, 2H), 3.75 (s, 1H) | null | [('m', [], '2H', 7.41, 7.36), ('m', [], '9H', 7.35, 7.22), ('m', [], '1H', 7.21, 7.16), ('m', [], '2H', 7.11, 7.05), ('m', [], '1H', 6.78, 6.78), ('dd', ['16.0Hz', '1.5Hz'], '1H', 6.55, 6.55), ('m', [], '1H', 6.19, 6.19), ('m', [], '2H', 4.21, 4.21), ('s', [], '2H', 4.01, 4.01), ('s', [], '1H', 3.75, 3.75)] | 22 | 14 | 22 |
10.1039_d3cc05531k | c1ccc(C=CCN(c2ccccc2)NCc2ccccc2)cc1 | 57 | 58 | [0.63295814 0.79765628 0.79644473 0.83828126] | [0.14967859 0.34257815 0.84449651 0.41406254] | 13C NMR | 101 MHz | CDCl3 | 150.3, 138.5, 136.8, 133.5, 129.4, 129.2, 128.8, 128.7, 127.9, 127.6, 126.7, 124.7, 118.6, 114.0, 53.5, 52.8 | null | [(150.3, None, None), (138.5, None, None), (136.8, None, None), (133.5, None, None), (129.4, None, None), (129.2, None, None), (128.8, None, None), (128.7, None, None), (127.9, None, None), (127.6, None, None), (126.7, None, None), (124.7, None, None), (118.6, None, None), (114.0, None, None), (53.5, None, None), (52.8... | 22 | 16 | 16 |
10.1039_d3cc05531k | c1(CCCNc2ccccc2)ccccc1 | 58 | 59 | [0.67217285 0.52109377 0.80693878 0.54921876] | [0.1502309 0.09267579 0.83897332 0.16337892] | 1H NMR | 400 MHz | CDCl3 | 7.33-7.24 (m, 2H), 7.23-7.11 (m, 5H), 6.68 (m, 1H), 6.60-6.52 (m, 2H), 3.56 (s, 1H), 3.13 (m, 2H), 2.78-2.66 (m, 2H), 2.00-1.84 (m, 2H) | null | [('m', [], '2H', 7.33, 7.24), ('m', [], '5H', 7.23, 7.11), ('m', [], '1H', 6.68, 6.68), ('m', [], '2H', 6.6, 6.52), ('s', [], '1H', 3.56, 3.56), ('m', [], '2H', 3.13, 3.13), ('m', [], '2H', 2.78, 2.66), ('m', [], '2H', 2.0, 1.84)] | 17 | 10 | 17 |
10.1039_d3cc05531k | c1(CCCNc2ccccc2)ccccc1 | 58 | 59 | [0.67217285 0.52109377 0.80693878 0.54921876] | [0.1502309 0.09267579 0.83897332 0.16337892] | 13C NMR | 101 MHz | CDCl3 | 148.4, 141.7, 129.3, 128.5, 126.0, 117.3, 112.8, 43.4, 33.5, 31.1 | null | [(148.4, None, None), (141.7, None, None), (129.3, None, None), (128.5, None, None), (126.0, None, None), (117.3, None, None), (112.8, None, None), (43.4, None, None), (33.5, None, None), (31.1, None, None)] | 15 | 11 | 10 |
10.1039_d3cc05531k | c1ccc(C=NNc2ccccc2)cc1 | 59 | 59 | [0.68100998 0.34257815 0.79589239 0.37148439] | [0.15133554 0.64765629 0.84725811 0.69140632] | 1H NMR | 400 MHz | CDCl3 | 7.67-7.62 (m, 3H), 7.36 (t, J = 7.2 Hz, 2H), 7.31-7.23 (m, 3H), 7.11 (d, J = 7.6 Hz, 2H), 6.87 (t, J = 7.2 Hz, 1H), 13 | null | [('m', [], '3H', 7.67, 7.62), ('t', ['7.2Hz'], '2H', 7.36, 7.36), ('m', [], '3H', 7.31, 7.23), ('d', ['7.6Hz'], '2H', 7.11, 7.11), ('t', ['7.2Hz'], '1H', 6.87, 6.87)] | 12 | 8 | 11 |
10.1039_d3cc05531k | c1(/C=C/CC(=O)Nc2ccccc2)ccccc1 | 60 | 60 | [0.64179528 0.0975586 0.79865399 0.1444336 ] | [0.14912627 0.44140629 0.84836274 0.51171879] | 1H NMR | 400 MHz | DMSO-d6 | 10.04 (s, 1H), 7.66-7.57 (m, 2H), 7.48-7.40 (m, 2H), 7.38-7.26 (m, 4H), 7.28-7.19 (m, 1H), 7.09-7.00 (m, 1H), 6.55 (d, J = 16.0 Hz, 1H), 6.49-6.36 (m, 1H), 3.32-3.23 (m, 2H) | null | [('s', [], '1H', 10.04, 10.04), ('m', [], '2H', 7.66, 7.57), ('m', [], '2H', 7.48, 7.4), ('m', [], '4H', 7.38, 7.26), ('m', [], '1H', 7.28, 7.19), ('m', [], '1H', 7.09, 7.0), ('d', ['16.0Hz'], '1H', 6.55, 6.55), ('m', [], '1H', 6.49, 6.36), ('m', [], '2H', 3.32, 3.23)] | 15 | 10 | 15 |
10.1039_d3cc05531k | c1(/C=C/CC(=O)Nc2ccccc2)ccccc1 | 60 | 60 | [0.64179528 0.0975586 0.79865399 0.1444336 ] | [0.14912627 0.44140629 0.84836274 0.51171879] | 13C NMR | 101 MHz | DMSO-d6 | 169.5, 139.6, 137.2, 132.7, 129.2, 129.1, 127.8, 126.5, 124.6, 123.6, 119.6, 41.1 | null | [(169.5, None, None), (139.6, None, None), (137.2, None, None), (132.7, None, None), (129.2, None, None), (129.1, None, None), (127.8, None, None), (126.5, None, None), (124.6, None, None), (123.6, None, None), (119.6, None, None), (41.1, None, None)] | 16 | 12 | 12 |
10.1039_d3cc05531k | c1ccc(CCCC(=O)N(c2ccccc2)NCc2ccccc2)cc1 | 60 | 61 | [0.63958597 0.66093753 0.83842103 0.71718751] | [0.1502309 0.28789064 0.82295608 0.3855469 ] | 1H NMR | 400 MHz | CDCl3 | 7.40-7.11 (m, 13H), 7.10-7.01 (m, 2H), 6.14 (s, 1H), 3.95 (s, 2H), 2.60-2.45 (m, 2H), 2.24-2.09 (m, 2H), 1.97-1.83 (m, 2H) | null | [('m', [], '13H', 7.4, 7.11), ('m', [], '2H', 7.1, 7.01), ('s', [], '1H', 6.14, 6.14), ('s', [], '2H', 3.95, 3.95), ('m', [], '2H', 2.6, 2.45), ('m', [], '2H', 2.24, 2.09), ('m', [], '2H', 1.97, 1.83)] | 24 | 14 | 24 |
10.1039_d3cc05531k | c1ccc(CCCC(=O)N(c2ccccc2)NCc2ccccc2)cc1 | 60 | 61 | [0.63958597 0.66093753 0.83842103 0.71718751] | [0.1502309 0.28789064 0.82295608 0.3855469 ] | 13C NMR | 101 MHz | CDCl3 | 171.2, 141.5, 141.1, 137.1, 129.2, 129.1, 128.4, 128.3, 127.8, 127.5, 125.8, 54.1, 35.1, 32.9, 26.9 | null | [(171.2, None, None), (141.5, None, None), (141.1, None, None), (137.1, None, None), (129.2, None, None), (129.1, None, None), (128.4, None, None), (128.3, None, None), (127.8, None, None), (127.5, None, None), (125.8, None, None), (54.1, None, None), (35.1, None, None), (32.9, None, None), (26.9, None, None)] | 23 | 17 | 15 |
10.1039_d3cc05531k | c1ccc(C=CCCN(c2ccccc2)N=Cc2ccccc2)cc1 | 61 | 61 | [0.64124294 0.50625001 0.84007795 0.54375003] | [0.14967859 0.83281253 0.84891508 0.90468751] | 1H NMR | 400 MHz | CDCl3 | 7.74-7.68 (m, 2H), 7.59 (s, 1H), 7.45-7.19 (m, 12H), 6.99-6.89 (m, 1H), 6.55 (d, J = 16.0 Hz, 1H), 6.33-6.20 (m, 1H), 4.16-3.99 (m, 2H), 2.67-2.48 (m, 2H) | null | [('m', [], '2H', 7.74, 7.68), ('s', [], '1H', 7.59, 7.59), ('m', [], '12H', 7.45, 7.19), ('m', [], '1H', 6.99, 6.89), ('d', ['16.0Hz'], '1H', 6.55, 6.55), ('m', [], '1H', 6.33, 6.2), ('m', [], '2H', 4.16, 3.99), ('m', [], '2H', 2.67, 2.48)] | 22 | 14 | 22 |
10.1002_asia.201900577 | Oc1cccc(-c2cccc(-c3ccccn3)n2)n1 | 1 | 1 | [0.15105939 0.21914064 0.32117378 0.30117189] | [0.14691699 0.29375001 0.84891508 0.47265629] | 1H NMR | not_known | DMSO-d6 | 11.37 (s, 1H), 8.83-8.65 (m, 2H), 8.49-8.39 (d, J = 7.6 Hz, 1H), 8.20 (d, J = 7.6 Hz, 1H), 8.10 (t, J = 8.0 Hz, 1H), 8.02 (td, J = 7.8, 1.6 Hz, 1H), 7.66 (t, J = 8.0 Hz, 1H), 7.51 (dd, J = 7.2, 5.2 Hz, 1H), 7.32 (s, 1H), 6.55 (d, J = 8.9 Hz, 1H) | null | [('s', [], '1H', 11.37, 11.37), ('m', [], '2H', 8.83, 8.65), ('d', ['7.6Hz'], '1H', 8.49, 8.39), ('d', ['7.6Hz'], '1H', 8.2, 8.2), ('t', ['8.0Hz'], '1H', 8.1, 8.1), ('td', ['7.8Hz', '1.6Hz'], '1H', 8.02, 8.02), ('t', ['8.0Hz'], '1H', 7.66, 7.66), ('dd', ['7.2Hz', '5.2Hz'], '1H', 7.51, 7.51), ('s', [], '1H', 7.32, 7.32)... | 11 | 11 | 11 |
10.1002_asia.201900577 | CC(C)(C)Oc1cccc(C(=O)c2cccc(-c3ccccn3)n2)n1 | 1 | 1 | [0.15133554 0.50156252 0.30432805 0.59218751] | [0.1474693 0.58437501 0.85167668 0.82421882] | 1H NMR | 400 MHz | CDCl3 | 8.69-8.63 (m, 1H), 8.60 (dd, J = 8, 0.8 Hz, 1H), 8.34 (d, J = 8 Hz, 1H), 7.98 (t, J = 7.8 Hz, 1H), 7.90-7.85 (m, 1H), 7.77-7.70 (m, 3H), 7.32-7.26 (m, 1H), 6.87-6.81 (m, 1H), 1.36 (s, 9H) | null | [('m', [], '1H', 8.69, 8.63), ('dd', ['8Hz', '0.8Hz'], '1H', 8.6, 8.6), ('d', ['8Hz'], '1H', 8.34, 8.34), ('t', ['7.8Hz'], '1H', 7.98, 7.98), ('m', [], '1H', 7.9, 7.85), ('m', [], '3H', 7.77, 7.7), ('m', [], '1H', 7.32, 7.26), ('m', [], '1H', 6.87, 6.81), ('s', [], '9H', 1.36, 1.36)] | 19 | 11 | 19 |
10.1002_asia.201900577 | CC(C)(C)Oc1cccc(C(=O)c2cccc(-c3ccccn3)n2)n1 | 1 | 1 | [0.15133554 0.50156252 0.30432805 0.59218751] | [0.1474693 0.58437501 0.85167668 0.82421882] | 13C NMR | 100 MHz | CDCl3 | 193.8, 162.6, 155.4, 155.2, 155.1, 149.0, 138.6, 137.2, 136.8, 124.0 (d), 122.8, 121.5, 117.4, 116.9, 80.1, 28.3 | null | [(193.8, None, None), (162.6, None, None), (155.4, None, None), (155.2, None, None), (155.1, None, None), (149.0, None, None), (138.6, None, None), (137.2, None, None), (136.8, None, None), (124.0, None, None), (122.8, None, None), (121.5, None, None), (117.4, None, None), (116.9, None, None), (80.1, None, None), (28.3... | 20 | 18 | 16 |
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