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_c6ob02285e | COC(=O)c1cccc2c1C(=O)C1(CC#N)c3c[nH]c4cccc(c34)C(=O)N21 | 5 | 5 | [0.38993757 0.36835938 0.60755148 0.45195315] | [0.14636467 0.45937501 0.84781045 0.58515629] | 13C NMR | 100 MHz | DMSO-d6 | 194.7, 166.7, 162.7, 153.9, 138.5, 134.0, 131.0, 128.4, 124.2, 123.7, 122.8, 120.1, 119.9, 118.8, 118.0, 117.4, 116.4, 104.4, 69.3, 53.1, 32.1 | null | [(194.7, None, None), (166.7, None, None), (162.7, None, None), (153.9, None, None), (138.5, None, None), (134.0, None, None), (131.0, None, None), (128.4, None, None), (124.2, None, None), (123.7, None, None), (122.8, None, None), (120.1, None, None), (119.9, None, None), (118.8, None, None), (118.0, None, None), (117... | 21 | 21 | 21 |
10.1039_c6ob02285e | O=C1C(c2c[nH]c3ccccc23)=Nc2ccccc21 | 5 | 5 | [0.41534426 0.60585943 0.57883082 0.67539068] | [0.1474693 0.68281254 0.84891508 0.78906257] | 1H NMR | 400 MHz | DMSO-d6 | 12.14 (s, 1H, NH), 8.50 (d, J = 3.0 Hz, 1H, Ar-H), 8.40 (dd, J = 7.0, 2.5 Hz, 1H, Ar-H), 7.59-7.50 (m, 3H, Ar-H ), 7.34 (d, J = 7.5 Hz, 1H, Ar-H), 7.28-7.24 (m, 2H, Ar-H), 7.18 (dt, J = 0.5, 7.5 Hz, 1H, Ar-H) | null | [('s', [], '1H', 12.14, 12.14), ('d', ['3.0Hz'], '1H', 8.5, 8.5), ('dd', ['7.0Hz', '2.5Hz'], '1H', 8.4, 8.4), ('m', [], '3H', 7.59, 7.5), ('d', ['7.5Hz'], '1H', 7.34, 7.34), ('m', [], '2H', 7.28, 7.24), ('dt', ['0.5Hz', '7.5Hz'], '1H', 7.18, 7.18)] | 10 | 10 | 10 |
10.1039_c6ob02285e | O=C1C(c2c[nH]c3ccccc23)=Nc2ccccc21 | 5 | 5 | [0.41534426 0.60585943 0.57883082 0.67539068] | [0.1474693 0.68281254 0.84891508 0.78906257] | 13C NMR | 100 MHz | DMSO-d6 | 195.7, 163.4, 158.5, 137.8, 137.3, 133.7, 126.8, 126.4, 124.9, 123.9, 123.0, 122.9, 122.2, 121.1, 113.0, 106.9 | null | [(195.7, None, None), (163.4, None, None), (158.5, None, None), (137.8, None, None), (137.3, None, None), (133.7, None, None), (126.8, None, None), (126.4, None, None), (124.9, None, None), (123.9, None, None), (123.0, None, None), (122.9, None, None), (122.2, None, None), (121.1, None, None), (113.0, None, None), (106... | 16 | 16 | 16 |
10.1002_ejoc.202401100 | Cn1cnc2ccccc2c1=O | 2 | 2 | [0.15105939 0.64296876 0.25268619 0.69921882] | [0.14857395 0.71406254 0.84836274 0.86718757] | 13C NMR | 151 MHz | CDCl3 | 161.50, 148.21, 146.78, 134.11, 127.39, 127.24, 126.46, 121.91, 34.03 | null | [(161.5, None, None), (148.21, None, None), (146.78, None, None), (134.11, None, None), (127.39, None, None), (127.24, None, None), (126.46, None, None), (121.91, None, None), (34.03, None, None)] | 9 | 9 | 9 |
10.1002_ejoc.202401100 | Cc1ccc2ncn(C)c(=O)c2c1 | 3 | 3 | [0.1502309 0.09306641 0.28168296 0.15400391] | [0.14857395 0.16591798 0.84891508 0.29335939] | 1H NMR | 600 MHz | CDCl3 | 8.12 (s, 1H), 8.02 (t, J = 1.9 Hz, 1H), 7.72-7.54 (m, 2H), 3.67-3.53 (m, 3H), 2.51 (d, J = 2.6 Hz, 3H) | null | [('s', [], '1H', 8.12, 8.12), ('t', ['1.9Hz'], '1H', 8.02, 8.02), ('m', [], '2H', 7.72, 7.54), ('m', [], '3H', 3.67, 3.53), ('d', ['2.6Hz'], '3H', 2.51, 2.51)] | 10 | 6 | 10 |
10.1002_ejoc.202401100 | Cc1ccc2ncn(C)c(=O)c2c1 | 3 | 3 | [0.1502309 0.09306641 0.28168296 0.15400391] | [0.14857395 0.16591798 0.84891508 0.29335939] | 13C NMR | 101 MHz | CDCl3 | 161.61, 146.21, 146.03, 137.61, 135.65, 127.22, 125.93, 121.67, 34.09, 21.38 | null | [(161.61, None, None), (146.21, None, None), (146.03, None, None), (137.61, None, None), (135.65, None, None), (127.22, None, None), (125.93, None, None), (121.67, None, None), (34.09, None, None), (21.38, None, None)] | 10 | 10 | 10 |
10.1002_ejoc.202401100 | Cc1ccc2c(=O)n(C)cnc2c1 | 3 | 3 | [0.15078323 0.33242189 0.28140679 0.39570313] | [0.14912627 0.40703128 0.84836274 0.53515629] | 1H NMR | 400 MHz | CDCl3 | 8.21 (d, J = 8.1 Hz, 1H), 8.04 (s, 1H), 7.56-7.48 (m, 1H), 7.34 (dd, J = 8.2, 1.6 Hz, 1H), 3.60 (s, 3H), 2.52 (s, 3H) | null | [('d', ['8.1Hz'], '1H', 8.21, 8.21), ('s', [], '1H', 8.04, 8.04), ('m', [], '1H', 7.56, 7.48), ('dd', ['8.2Hz', '1.6Hz'], '1H', 7.34, 7.34), ('s', [], '3H', 3.6, 3.6), ('s', [], '3H', 2.52, 2.52)] | 10 | 6 | 10 |
10.1002_ejoc.202401100 | Cc1ccc2c(=O)n(C)cnc2c1 | 3 | 3 | [0.15078323 0.33242189 0.28140679 0.39570313] | [0.14912627 0.40703128 0.84836274 0.53515629] | 13C NMR | 101 MHz | CDCl3 | 161.54, 148.36, 146.87, 145.20, 128.91, 127.14, 126.35, 119.55, 34.02, 21.90 | null | [(161.54, None, None), (148.36, None, None), (146.87, None, None), (145.2, None, None), (128.91, None, None), (127.14, None, None), (126.35, None, None), (119.55, None, None), (34.02, None, None), (21.9, None, None)] | 10 | 10 | 10 |
10.1002_ejoc.202401100 | Cc1cccc2c(=O)n(C)cnc12 | 3 | 3 | [0.15050707 0.57109378 0.2532385 0.63984379] | [0.1474693 0.64765629 0.84836274 0.80156253] | 1H NMR | 600 MHz | CDCl3 | 8.13 (d, J = 8.0 Hz, 1H), 8.03 (s, 1H), 7.56 (d, J = 7.3 Hz, 1H), 7.41-7.32 (m, 1H), 3.57 (d, J = 1.6 Hz, 3H), 2.58 (s, 3H) | null | [('d', ['8.0Hz'], '1H', 8.13, 8.13), ('s', [], '1H', 8.03, 8.03), ('d', ['7.3Hz'], '1H', 7.56, 7.56), ('m', [], '1H', 7.41, 7.32), ('d', ['1.6Hz'], '3H', 3.57, 3.57), ('s', [], '3H', 2.58, 2.58)] | 10 | 6 | 10 |
10.1002_ejoc.202401100 | Cc1cccc2c(=O)n(C)cnc12 | 3 | 3 | [0.15050707 0.57109378 0.2532385 0.63984379] | [0.1474693 0.64765629 0.84836274 0.80156253] | 13C NMR | 101 MHz | CDCl3 | 161.85, 146.81, 145.58, 135.76, 134.76, 126.83, 124.17, 121.85, 34.00, 17.46 | null | [(161.85, None, None), (146.81, None, None), (145.58, None, None), (135.76, None, None), (134.76, None, None), (126.83, None, None), (124.17, None, None), (121.85, None, None), (34.0, None, None), (17.46, None, None)] | 10 | 10 | 10 |
10.1002_ejoc.202401100 | COc1ccc2ncn(C)c(=O)c2c1 | 3 | 4 | [0.15105939 0.84140631 0.30405188 0.90546879] | [0.14802163 0.09160156 0.85057205 0.2185547 ] | 1H NMR | 600 MHz | CDCl3 | 7.93 (s, 1H), 7.66-7.48 (m, 2H), 7.30 (dd, J = 7.5, 3.1, 1H), 3.89 (s, 3H), 3.57 (s, 3H) | null | [('s', [], '1H', 7.93, 7.93), ('m', [], '2H', 7.66, 7.48), ('dd', "['7.5Hz', '3.1Hz']", '1H', 7.3, 7.3), ('s', [], '3H', 3.89, 3.89), ('s', [], '3H', 3.57, 3.57)] | 10 | 6 | 10 |
10.1002_ejoc.202401100 | COc1ccc2ncn(C)c(=O)c2c1 | 3 | 4 | [0.15105939 0.84140631 0.30405188 0.90546879] | [0.14802163 0.09160156 0.85057205 0.2185547 ] | 13C NMR | 101 MHz | CDCl3 | 161.37, 158.68, 144.66, 142.75, 128.93, 124.38, 122.71, 105.77, 55.82, 34.09 | null | [(161.37, None, None), (158.68, None, None), (144.66, None, None), (142.75, None, None), (128.93, None, None), (124.38, None, None), (122.71, None, None), (105.77, None, None), (55.82, None, None), (34.09, None, None)] | 10 | 10 | 10 |
10.1002_ejoc.202401100 | Cn1cnc2ccc(F)cc2c1=O | 4 | 4 | [0.15105939 0.25859376 0.28085448 0.32265626] | [0.14857395 0.33339845 0.84781045 0.48828129] | 1H NMR | 600 MHz | CDCl3 | 8.00 (s, 1H), 7.89 (d, J = 8.5, 1H), 7.68 (dd, J = 9.1, 4.8 Hz, 1H), 7.44 (d, J = 8.3, 1H), 3.58 (d, J = 1.5 Hz, 3H) | null | [('s', [], '1H', 8.0, 8.0), ('d', "['8.5Hz']", '1H', 7.89, 7.89), ('dd', ['9.1Hz', '4.8Hz'], '1H', 7.68, 7.68), ('d', "['8.3Hz']", '1H', 7.44, 7.44), ('d', ['1.5Hz'], '3H', 3.58, 3.58)] | 7 | 5 | 7 |
10.1002_ejoc.202401100 | Cn1cnc2ccc(F)cc2c1=O | 4 | 4 | [0.15105939 0.25859376 0.28085448 0.32265626] | [0.14857395 0.33339845 0.84781045 0.48828129] | 13C NMR | 101 MHz | CDCl3 | 161.07 (d, J = 247.0 Hz), 160.82, 160.78, 146.09, 146.07, 144.90 (d, J = 2.0 Hz), 129.92, 129.84, 122.72 (d, J = 12.0 Hz), 111.49, 111.26, 34.09 | null | [(161.07, 'd', 247.0), (160.82, None, None), (160.78, None, None), (146.09, None, None), (146.07, None, None), (144.9, 'd', 2.0), (129.92, None, None), (129.84, None, None), (122.72, 'd', 12.0), (111.49, None, None), (111.26, None, None), (34.09, None, None)] | 9 | 9 | 12 |
10.1002_ejoc.202401100 | Cn1cnc2ccc(F)cc2c1=O | 4 | 4 | [0.15105939 0.25859376 0.28085448 0.32265626] | [0.14857395 0.33339845 0.84781045 0.48828129] | 19F NMR | 377 MHz | CDCl3 | -111.86 | null | [(-111.86, None, None)] | 1 | 1 | 1 |
10.1002_ejoc.202401100 | Cn1cnc2cc(F)ccc2c1=O | 4 | 4 | [0.1516117 0.52734379 0.28085448 0.59140627] | [0.14857395 0.60195318 0.84891508 0.78242192] | 1H NMR | 600 MHz | CDCl3 | 8.29 (ddd, J = 8.8, 6.1, 2.4 Hz, 1H), 8.05 (s, 1H), 7.32 (dd, J = 9.6, 2.4 Hz, 1H), 7.19 (d, J = 8.6, 1H), 3.58 (d, J = 1.5 Hz, 3H) | null | [('ddd', ['8.8Hz', '6.1Hz', '2.4Hz'], '1H', 8.29, 8.29), ('s', [], '1H', 8.05, 8.05), ('dd', ['9.6Hz', '2.4Hz'], '1H', 7.32, 7.32), ('d', "['8.6Hz']", '1H', 7.19, 7.19), ('d', ['1.5Hz'], '3H', 3.58, 3.58)] | 7 | 5 | 7 |
10.1002_ejoc.202401100 | Cn1cnc2cc(F)ccc2c1=O | 4 | 4 | [0.1516117 0.52734379 0.28085448 0.59140627] | [0.14857395 0.60195318 0.84891508 0.78242192] | 13C NMR | 101 MHz | CDCl3 | 166.23 (d, J = 252.0 Hz), 160.79, 150.36 (d, J = 13.0 Hz), 147.97, 129.29, 129.19, 118.67 (d, J = 2.0 Hz), 116.18, 115.95, 112.86, 112.64, 34.07 | null | [(166.23, 'd', 252.0), (160.79, None, None), (150.36, 'd', 13.0), (147.97, None, None), (129.29, None, None), (129.19, None, None), (118.67, 'd', 2.0), (116.18, None, None), (115.95, None, None), (112.86, None, None), (112.64, None, None), (34.07, None, None)] | 9 | 9 | 12 |
10.1002_ejoc.202401100 | Cn1cnc2cc(F)ccc2c1=O | 4 | 4 | [0.1516117 0.52734379 0.28085448 0.59140627] | [0.14857395 0.60195318 0.84891508 0.78242192] | 19F NMR | 377 MHz | CDCl3 | -103.50 | null | [(-103.5, None, None)] | 1 | 1 | 1 |
10.1002_ejoc.202401100 | Cn1cnc2cc(C(F)(F)F)ccc2c1=O | 4 | 5 | [0.15188787 0.82265626 0.30405188 0.88671882] | [0.14802163 0.09174805 0.84836274 0.24726563] | 1H NMR | 600 MHz | CDCl3 | 8.40 (d, J = 8.4 Hz, 1H), 8.12 (s, 1H), 7.97 (s, 1H), 7.69 (d, J = 8.3 Hz, 1H), 3.62 (d, J = 1.5 Hz, 3H) | null | [('d', ['8.4Hz'], '1H', 8.4, 8.4), ('s', [], '1H', 8.12, 8.12), ('s', [], '1H', 7.97, 7.97), ('d', ['8.3Hz'], '1H', 7.69, 7.69), ('d', ['1.5Hz'], '3H', 3.62, 3.62)] | 7 | 5 | 7 |
10.1002_ejoc.202401100 | Cn1cnc2cc(C(F)(F)F)ccc2c1=O | 4 | 5 | [0.15188787 0.82265626 0.30405188 0.88671882] | [0.14802163 0.09174805 0.84836274 0.24726563] | 13C NMR | 101 MHz | CDCl3 | 160.70, 147.99, 135.87, 135.55, 132.11, 127.72, 125.09, 125.05, 125.01, 124.97, 124.69, 124.21, 123.30, 123.27, 34.24 | null | [(160.7, None, None), (147.99, None, None), (135.87, None, None), (135.55, None, None), (132.11, None, None), (127.72, None, None), (125.09, None, None), (125.05, None, None), (125.01, None, None), (124.97, None, None), (124.69, None, None), (124.21, None, None), (123.3, None, None), (123.27, None, None), (34.24, None,... | 10 | 10 | 15 |
10.1002_ejoc.202401100 | Cn1cnc2cc(C(F)(F)F)ccc2c1=O | 4 | 5 | [0.15188787 0.82265626 0.30405188 0.88671882] | [0.14802163 0.09174805 0.84836274 0.24726563] | 19F NMR | 377 MHz | CDCl3 | -63.22 | null | [(-63.22, None, None)] | 3 | 1 | 1 |
10.1002_ejoc.202401100 | COc1cc2ncn(Cc3ccccc3)c(=O)c2cc1OC | 5 | 5 | [0.15050707 0.54609379 0.36756862 0.60859379] | [0.14802163 0.6199219 0.84836274 0.77304693] | 1H NMR | 400 MHz | CDCl3 | 8.10 (s, 1H), 7.67 (s, 1H), 7.41-7.29 (m, 5H), 7.14 (s, 1H), 5.23 (s, 2H), 4.02 (d, J = 1.1 Hz, 6H) | null | [('s', [], '1H', 8.1, 8.1), ('s', [], '1H', 7.67, 7.67), ('m', [], '5H', 7.41, 7.29), ('s', [], '1H', 7.14, 7.14), ('s', [], '2H', 5.23, 5.23), ('d', ['1.1Hz'], '6H', 4.02, 4.02)] | 16 | 9 | 16 |
10.1002_ejoc.202401100 | COc1cc2ncn(Cc3ccccc3)c(=O)c2cc1OC | 5 | 5 | [0.15050707 0.54609379 0.36756862 0.60859379] | [0.14802163 0.6199219 0.84836274 0.77304693] | 13C NMR | 101 MHz | CDCl3 | 160.49, 154.88, 149.40, 145.15, 144.31, 135.94, 129.00, 128.24, 127.97, 115.58, 107.85, 105.73, 56.33, 49.65 | null | [(160.49, None, None), (154.88, None, None), (149.4, None, None), (145.15, None, None), (144.31, None, None), (135.94, None, None), (129.0, None, None), (128.24, None, None), (127.97, None, None), (115.58, None, None), (107.85, None, None), (105.73, None, None), (56.33, None, None), (49.65, None, None)] | 17 | 15 | 14 |
10.1002_ejoc.202401100 | CCn1cnc2ccccc2c1=O | 5 | 6 | [0.15133554 0.81406256 0.2833399 0.87656256] | [0.14802163 0.0918457 0.84836274 0.24531251] | 1H NMR | 400 MHz | CDCl3 | 8.32 (d, J = 8.0, 1.0 Hz, 1H), 8.07 (s, 1H), 7.85-7.65 (m, 2H), 7.51 (ddd, J = 8.2, 6.9, 1.5 Hz, 1H), 4.08 (q, J = 7.2 Hz, 2H), 1.43 (t, J = 7.2 Hz, 3H) | null | [('d', ['8.0Hz', '1.0Hz'], '1H', 8.32, 8.32), ('s', [], '1H', 8.07, 8.07), ('m', [], '2H', 7.85, 7.65), ('ddd', ['8.2Hz', '6.9Hz', '1.5Hz'], '1H', 7.51, 7.51), ('q', ['7.2Hz'], '2H', 4.08, 4.08), ('t', ['7.2Hz'], '3H', 1.43, 1.43)] | 10 | 7 | 10 |
10.1002_ejoc.202401100 | CCn1cnc2ccccc2c1=O | 5 | 6 | [0.15133554 0.81406256 0.2833399 0.87656256] | [0.14802163 0.0918457 0.84836274 0.24531251] | 13C NMR | 101 MHz | CDCl3 | 160.93, 148.12, 146.30, 134.16, 127.38, 127.25, 126.64, 122.16, 42.15, 14.91 | null | [(160.93, None, None), (148.12, None, None), (146.3, None, None), (134.16, None, None), (127.38, None, None), (127.25, None, None), (126.64, None, None), (122.16, None, None), (42.15, None, None), (14.91, None, None)] | 10 | 10 | 10 |
10.1002_ejoc.202401100 | CCCCn1cnc2ccccc2c1=O | 6 | 6 | [0.15105939 0.28574221 0.31675524 0.34941409] | [0.14691699 0.36015628 0.84836274 0.54218754] | 1H NMR | 400 MHz | CDCl3 | 8.32 (dd, J = 7.9, 1.5 Hz, 1H), 8.04 (s, 1H), 7.84-7.66 (m, 2H), 7.51 (ddd, J = 8.1, 6.9, 1.4 Hz, 1H), 4.01 (t, J = 7.4 Hz, 2H), 1.91-1.67 (m, 2H), 1.42 (h, J = 7.4 Hz, 2H), 0.98 (t, J = 7.4 Hz, 3H) | null | [('dd', ['7.9Hz', '1.5Hz'], '1H', 8.32, 8.32), ('s', [], '1H', 8.04, 8.04), ('m', [], '2H', 7.84, 7.66), ('ddd', ['8.1Hz', '6.9Hz', '1.4Hz'], '1H', 7.51, 7.51), ('t', ['7.4Hz'], '2H', 4.01, 4.01), ('m', [], '2H', 1.91, 1.67), ('hept', ['7.4Hz'], '2H', 1.42, 1.42), ('t', ['7.4Hz'], '3H', 0.98, 0.98)] | 14 | 9 | 14 |
10.1002_ejoc.202401100 | CCCCn1cnc2ccccc2c1=O | 6 | 6 | [0.15105939 0.28574221 0.31675524 0.34941409] | [0.14691699 0.36015628 0.84836274 0.54218754] | 13C NMR | 101 MHz | CDCl3 | 161.06, 148.10, 146.60, 134.13, 127.38, 127.22, 126.68, 122.18, 46.82, 31.42, 19.91, 13.66 | null | [(161.06, None, None), (148.1, None, None), (146.6, None, None), (134.13, None, None), (127.38, None, None), (127.22, None, None), (126.68, None, None), (122.18, None, None), (46.82, None, None), (31.42, None, None), (19.91, None, None), (13.66, None, None)] | 12 | 12 | 12 |
10.1002_ejoc.202401100 | O=c1c2ccccc2ncn1-c1ccccc1 | 6 | 6 | [0.15133554 0.5808594 0.30405188 0.64648438] | [0.14857395 0.65703128 0.84836274 0.81093751] | 1H NMR | 400 MHz | CDCl3 | 8.39 (dd, J = 8.0, 1.4 Hz, 1H), 8.16 (s, 1H), 7.81 (dd, J = 8.2, 3.7 Hz, 2H), 7.63-7.48 (m, 4H), 7.48-7.37 (m, 2H) | null | [('dd', ['8.0Hz', '1.4Hz'], '1H', 8.39, 8.39), ('s', [], '1H', 8.16, 8.16), ('dd', ['8.2Hz', '3.7Hz'], '2H', 7.81, 7.81), ('m', [], '4H', 7.63, 7.48), ('m', [], '2H', 7.48, 7.37)] | 10 | 8 | 10 |
10.1002_ejoc.202401100 | O=c1c2ccccc2ncn1-c1ccccc1 | 6 | 6 | [0.15133554 0.5808594 0.30405188 0.64648438] | [0.14857395 0.65703128 0.84836274 0.81093751] | 13C NMR | 101 MHz | CDCl3 | 160.82, 147.87, 146.12, 137.48, 134.65, 129.70, 129.17, 127.72, 127.60, 127.21, 127.04, 122.37 | null | [(160.82, None, None), (147.87, None, None), (146.12, None, None), (137.48, None, None), (134.65, None, None), (129.7, None, None), (129.17, None, None), (127.72, None, None), (127.6, None, None), (127.21, None, None), (127.04, None, None), (122.37, None, None)] | 14 | 12 | 12 |
10.1002_ejoc.202401100 | Cc1ccc(-n2cnc3ccccc3c2=O)cc1 | 7 | 7 | [0.15133554 0.08959962 0.32172612 0.15527344] | [0.14857395 0.16611328 0.84836274 0.32148438] | 1H NMR | 600 MHz | CDCl3 | 8.39 (dd, J = 7.9, 1.4 Hz, 1H), 8.13 (s, 1H), 7.86-7.74 (m, 2H), 7.56 (ddd, J = 8.1, 6.9, 1.4 Hz, 1H), 7.37 (d, J = 8.1 Hz, 2H), 7.32 (d, J = 8.4 Hz, 2H), 2.46 (s, 3H) | null | [('dd', ['7.9Hz', '1.4Hz'], '1H', 8.39, 8.39), ('s', [], '1H', 8.13, 8.13), ('m', [], '2H', 7.86, 7.74), ('ddd', ['8.1Hz', '6.9Hz', '1.4Hz'], '1H', 7.56, 7.56), ('d', ['8.1Hz'], '2H', 7.37, 7.37), ('d', ['8.4Hz'], '2H', 7.32, 7.32), ('s', [], '3H', 2.46, 2.46)] | 12 | 8 | 12 |
10.1002_ejoc.202401100 | Cc1ccc(-n2cnc3ccccc3c2=O)cc1 | 7 | 7 | [0.15133554 0.08959962 0.32172612 0.15527344] | [0.14857395 0.16611328 0.84836274 0.32148438] | 13C NMR | 151 MHz | CDCl3 | 160.88, 147.93, 146.30, 139.23, 134.94, 134.50, 130.24, 127.56, 127.18, 126.74, 122.43, 21.20 | null | [(160.88, None, None), (147.93, None, None), (146.3, None, None), (139.23, None, None), (134.94, None, None), (134.5, None, None), (130.24, None, None), (127.56, None, None), (127.18, None, None), (126.74, None, None), (122.43, None, None), (21.2, None, None)] | 15 | 13 | 12 |
10.1002_ejoc.202401100 | O=c1c2ccccc2ncn1-c1ccc(F)cc1 | 7 | 7 | [0.1516117 0.35742191 0.32614466 0.42695313] | [0.1474693 0.43515627 0.85001971 0.64296876] | 1H NMR | 600 MHz | CDCl3 | 8.35 (dd, J = 8.0, 1.5 Hz, 1H), 8.10 (s, 1H), 7.81 (dd, J = 8.4, 7.0 Hz, 1H), 7.76 (dd, J = 8.2, 1.2 Hz, 1H), 7.55 (dd, J = 8.1, 7.0 Hz, 1H), 7.47-7.38 (m, 2H), 7.27-7.18 (m, 2H) | null | [('dd', ['8.0Hz', '1.5Hz'], '1H', 8.35, 8.35), ('s', [], '1H', 8.1, 8.1), ('dd', ['8.4Hz', '7.0Hz'], '1H', 7.81, 7.81), ('dd', ['8.2Hz', '1.2Hz'], '1H', 7.76, 7.76), ('dd', ['8.1Hz', '7.0Hz'], '1H', 7.55, 7.55), ('m', [], '2H', 7.47, 7.38), ('m', [], '2H', 7.27, 7.18)] | 9 | 7 | 9 |
10.1002_ejoc.202401100 | O=c1c2ccccc2ncn1-c1ccc(F)cc1 | 7 | 7 | [0.1516117 0.35742191 0.32614466 0.42695313] | [0.1474693 0.43515627 0.85001971 0.64296876] | 13C NMR | 151 MHz | CDCl3 | 161.6 (d, J = 256.7 Hz), 160.77, 147.83, 145.84, 134.67, 133.41 (d, J = 3.2 Hz), 128.95, 128.90, 127.75, 127.64, 127.14, 122.26, 116.66 (d, J = 22.7 Hz) | null | [(161.6, 'd', 256.7), (160.77, None, None), (147.83, None, None), (145.84, None, None), (134.67, None, None), (133.41, 'd', 3.2), (128.95, None, None), (128.9, None, None), (127.75, None, None), (127.64, None, None), (127.14, None, None), (122.26, None, None), (116.66, 'd', 22.7)] | 14 | 12 | 13 |
10.1002_ejoc.202401100 | O=c1c2ccccc2ncn1-c1ccc(F)cc1 | 7 | 7 | [0.1516117 0.35742191 0.32614466 0.42695313] | [0.1474693 0.43515627 0.85001971 0.64296876] | 19F NMR | 377 MHz | CDCl3 | -111.60 | null | [(-111.6, None, None)] | 1 | 1 | 1 |
10.1002_ejoc.202401100 | COc1ccccc1-n1cnc2ccccc2c1=O | 7 | 7 | [0.1516117 0.68867192 0.30267108 0.76210939] | [0.14802163 0.77812503 0.84836274 0.90468751] | 1H NMR | 600 MHz | CDCl3 | 8.41-8.35 (m, 1H), 7.99 (s, 1H), 7.85-7.74 (m, 2H), 7.54 (dd, J = 8.2, 6.8 Hz, 1H), 7.49 (dd, J = 8.3, 7.6 Hz, 1H), 7.36 (dd, J = 7.7, 1.7 Hz, 1H), 7.16-7.06 (m, 2H), 3.83 (s, 3H) | null | [('m', [], '1H', 8.41, 8.35), ('s', [], '1H', 7.99, 7.99), ('m', [], '2H', 7.85, 7.74), ('dd', ['8.2Hz', '6.8Hz'], '1H', 7.54, 7.54), ('dd', ['8.3Hz', '7.6Hz'], '1H', 7.49, 7.49), ('dd', ['7.7Hz', '1.7Hz'], '1H', 7.36, 7.36), ('m', [], '2H', 7.16, 7.06), ('s', [], '3H', 3.83, 3.83)] | 12 | 10 | 12 |
10.1002_ejoc.202401100 | COc1ccccc1-n1cnc2ccccc2c1=O | 7 | 7 | [0.1516117 0.68867192 0.30267108 0.76210939] | [0.14802163 0.77812503 0.84836274 0.90468751] | 13C NMR | 151 MHz | CDCl3 | 160.67, 154.71, 148.08, 147.21, 134.38, 130.93, 129.16, 127.51, 127.30, 127.17, 126.04, 122.72, 121.01, 112.31, 55.86 | null | [(160.67, None, None), (154.71, None, None), (148.08, None, None), (147.21, None, None), (134.38, None, None), (130.93, None, None), (129.16, None, None), (127.51, None, None), (127.3, None, None), (127.17, None, None), (126.04, None, None), (122.72, None, None), (121.01, None, None), (112.31, None, None), (55.86, None... | 15 | 15 | 15 |
10.1002_ejoc.202401100 | O(c1c(OC)cc(-n2cnc3ccccc3c2=O)cc1OC)C | 8 | 8 | [0.15133554 0.1725586 0.3507229 0.26015626] | [0.14857395 0.26796876 0.85057205 0.42304688] | 1H NMR | 600 MHz | CDCl3 | 8.36 (dd, J = 8.0, 1.5 Hz, 1H), 8.13 (s, 1H), 7.81 (dd, J = 8.4, 7.1 Hz, 1H), 7.78-7.74 (m, 1H), 7.56 (dd, J = 8.2, 7.1 Hz, 1H), 6.64 (s, 2H), 3.91 (s, 3H), 3.89 (s, 6H) | null | [('dd', ['8.0Hz', '1.5Hz'], '1H', 8.36, 8.36), ('s', [], '1H', 8.13, 8.13), ('dd', ['8.4Hz', '7.1Hz'], '1H', 7.81, 7.81), ('m', [], '1H', 7.78, 7.74), ('dd', ['8.2Hz', '7.1Hz'], '1H', 7.56, 7.56), ('s', [], '2H', 6.64, 6.64), ('s', [], '3H', 3.91, 3.91), ('s', [], '6H', 3.89, 3.89)] | 16 | 8 | 16 |
10.1002_ejoc.202401100 | O(c1c(OC)cc(-n2cnc3ccccc3c2=O)cc1OC)C | 8 | 8 | [0.15133554 0.1725586 0.3507229 0.26015626] | [0.14857395 0.26796876 0.85057205 0.42304688] | 13C NMR | 151 MHz | CDCl3 | 160.87, 153.83, 147.83, 146.12, 138.58, 134.62, 133.02, 127.69, 127.59, 127.11, 122.29, 104.74, 60.90, 56.34 | null | [(160.87, None, None), (153.83, None, None), (147.83, None, None), (146.12, None, None), (138.58, None, None), (134.62, None, None), (133.02, None, None), (127.69, None, None), (127.59, None, None), (127.11, None, None), (122.29, None, None), (104.74, None, None), (60.9, None, None), (56.34, None, None)] | 17 | 14 | 14 |
10.1002_ejoc.202401100 | CCCCn1cnc(C)c(C)c1=O | 8 | 8 | [0.1502309 0.46171878 0.30349957 0.52578126] | [0.1474693 0.53671877 0.84725811 0.69296881] | 1H NMR | 400 MHz | CDCl3 | 7.90 (s, 1H), 3.87 (t, J = 7.3 Hz, 2H), 2.28 (d, J = 1.9 Hz, 3H), 2.06 (d, J = 2.0 Hz, 3H), 1.71 (pd, J = 7.6, 1.7 Hz, 2H), 1.36 (hd, J = 7.4, 1.9 Hz, 2H), 0.94 (td, J = 7.3, 1.8 Hz, 3H) | null | [('s', [], '1H', 7.9, 7.9), ('t', ['7.3Hz'], '2H', 3.87, 3.87), ('d', ['1.9Hz'], '3H', 2.28, 2.28), ('d', ['2.0Hz'], '3H', 2.06, 2.06), ('pd', ['7.6Hz', '1.7Hz'], '2H', 1.71, 1.71), ('hd', ['7.4Hz', '1.9Hz'], '2H', 1.36, 1.36), ('td', ['7.3Hz', '1.8Hz'], '3H', 0.94, 0.94)] | 16 | 7 | 16 |
10.1002_ejoc.202401100 | CCCCn1cnc(C)c(C)c1=O | 8 | 8 | [0.1502309 0.46171878 0.30349957 0.52578126] | [0.1474693 0.53671877 0.84725811 0.69296881] | 13C NMR | 151 MHz | CDCl3 | 161.71, 158.52, 146.72, 120.91, 47.17, 31.17, 21.55, 19.82, 13.58, 11.51 | null | [(161.71, None, None), (158.52, None, None), (146.72, None, None), (120.91, None, None), (47.17, None, None), (31.17, None, None), (21.55, None, None), (19.82, None, None), (13.58, None, None), (11.51, None, None)] | 10 | 10 | 10 |
10.1002_ejoc.202401100 | CCCCn1cnccc1=O | 8 | 8 | [0.15078323 0.70234379 0.28278759 0.76640628] | [0.14802163 0.77812503 0.84946742 0.90468751] | 1H NMR | 400 MHz | CDCl3 | 8.10 (s, 1H), 7.87 (d, J = 6.6 Hz, 1H), 6.44 (d, J = 6.6 Hz, 1H), 3.92 (td, J = 7.4, 1.1 Hz, 2H), 1.87-1.65 (m, 2H), 1.49-1.30 (m, 2H), 0.96 (td, J = 7.3, 1.1 Hz, 3H) | null | [('s', [], '1H', 8.1, 8.1), ('d', ['6.6Hz'], '1H', 7.87, 7.87), ('d', ['6.6Hz'], '1H', 6.44, 6.44), ('td', ['7.4Hz', '1.1Hz'], '2H', 3.92, 3.92), ('m', [], '2H', 1.87, 1.65), ('m', [], '2H', 1.49, 1.3), ('td', ['7.3Hz', '1.1Hz'], '3H', 0.96, 0.96)] | 12 | 7 | 12 |
10.1002_ejoc.202401100 | CCCCn1cnccc1=O | 8 | 8 | [0.15078323 0.70234379 0.28278759 0.76640628] | [0.14802163 0.77812503 0.84946742 0.90468751] | 13C NMR | 151 MHz | CDCl3 | 160.90, 153.14, 151.17, 116.03, 47.12, 31.15, 19.79, 13.58 | null | [(160.9, None, None), (153.14, None, None), (151.17, None, None), (116.03, None, None), (47.12, None, None), (31.15, None, None), (19.79, None, None), (13.58, None, None)] | 8 | 8 | 8 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccccc3c(=O)n2C)ccccc1 | 11 | 11 | [0.15133554 0.09628907 0.29190087 0.18769532] | [0.14802163 0.20351564 0.84946742 0.38632815] | 1H NMR | 400 MHz | CDCl3 | 8.40 (d, J = 8.0 Hz, 1H), 7.80 (d, J = 4.1 Hz, 2H), 7.65-7.53 (m, 1H), 7.52-7.45 (m, 2H), 7.42-7.37 (m, 3H), 7.32 (s, 1H), 7.26-7.14 (m, 5H), 3.43 (s, 3H) | null | [('d', ['8.0Hz'], '1H', 8.4, 8.4), ('d', ['4.1Hz'], '2H', 7.8, 7.8), ('m', [], '1H', 7.65, 7.53), ('m', [], '2H', 7.52, 7.45), ('m', [], '3H', 7.42, 7.37), ('s', [], '1H', 7.32, 7.32), ('m', [], '5H', 7.26, 7.14), ('s', [], '3H', 3.43, 3.43)] | 18 | 12 | 18 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccccc3c(=O)n2C)ccccc1 | 11 | 11 | [0.15133554 0.09628907 0.29190087 0.18769532] | [0.14802163 0.20351564 0.84946742 0.38632815] | 13C NMR | 101 MHz | CDCl3 | 162.48, 154.75, 147.37, 137.50, 135.09, 134.60, 134.41, 131.42, 131.31, 129.13, 129.09, 128.90, 128.74, 128.62, 128.49, 128.46, 127.78, 127.32, 126.83, 126.59, 126.03, 120.80, 31.62 | null | [(162.48, None, None), (154.75, None, None), (147.37, None, None), (137.5, None, None), (135.09, None, None), (134.6, None, None), (134.41, None, None), (131.42, None, None), (131.31, None, None), (129.13, None, None), (129.09, None, None), (128.9, None, None), (128.74, None, None), (128.62, None, None), (128.49, None,... | 23 | 19 | 23 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccc(C)cc3c(=O)n2C)ccccc1 | 11 | 11 | [0.15105939 0.42968754 0.31703139 0.52109377] | [0.14802163 0.53710941 0.84836274 0.71914064] | 1H NMR | 400 MHz | CDCl3 | 8.21-8.10 (m, 1H), 7.70 (d, J = 8.3 Hz, 1H), 7.62 (dd, J = 8.3, 2.1 Hz, 1H), 7.52-7.44 (m, 2H), 7.43-7.30 (m, 4H), 7.27-7.13 (m, 5H), 3.42 (s, 3H), 2.55 (s, 3H) | null | [('m', [], '1H', 8.21, 8.1), ('d', ['8.3Hz'], '1H', 7.7, 7.7), ('dd', ['8.3Hz', '2.1Hz'], '1H', 7.62, 7.62), ('m', [], '2H', 7.52, 7.44), ('m', [], '4H', 7.43, 7.3), ('m', [], '5H', 7.27, 7.13), ('s', [], '3H', 3.42, 3.42), ('s', [], '3H', 2.55, 2.55)] | 20 | 12 | 20 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccc(C)cc3c(=O)n2C)ccccc1 | 11 | 11 | [0.15105939 0.42968754 0.31703139 0.52109377] | [0.14802163 0.53710941 0.84836274 0.71914064] | 13C NMR | 151 MHz | CDCl3 | 162.46, 153.85, 145.31, 137.60, 135.89, 135.14, 134.62, 131.42, 131.30, 129.51, 129.09, 128.86, 128.68, 128.56, 128.49, 127.54, 126.56, 126.17, 126.02, 120.51, 31.58, 21.43 | null | [(162.46, None, None), (153.85, None, None), (145.31, None, None), (137.6, None, None), (135.89, None, None), (135.14, None, None), (134.62, None, None), (131.42, None, None), (131.3, None, None), (129.51, None, None), (129.09, None, None), (128.86, None, None), (128.68, None, None), (128.56, None, None), (128.49, None... | 24 | 20 | 22 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(C)ccc3c(=O)n2C)ccccc1 | 11 | 11 | [0.15133554 0.76367195 0.31482213 0.85468754] | [0.18834095 0.86953126 0.84670582 0.88750003] | 1H NMR | 400 MHz | CDCl3 | 8.27 (dd, J = 8.1, 1.6 Hz, 1H), 7.58 (d, J = 1.6 Hz, 1H), 7.51-7.45 (m, 2H), 7.44-7.34 (m, 4H), 7.30 (s, 1H), 7.26-7.12 (m, 5H), 3.41 (d, J = 1.0 Hz, 3H), 2.53 (s, 3H) | null | [('dd', ['8.1Hz', '1.6Hz'], '1H', 8.27, 8.27), ('d', ['1.6Hz'], '1H', 7.58, 7.58), ('m', [], '2H', 7.51, 7.45), ('m', [], '4H', 7.44, 7.34), ('s', [], '1H', 7.3, 7.3), ('m', [], '5H', 7.26, 7.12), ('d', ['1.0Hz'], '3H', 3.41, 3.41), ('s', [], '3H', 2.53, 2.53)] | 20 | 12 | 20 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(C)ccc3c(=O)n2C)ccccc1 | 11 | 11 | [0.15133554 0.76367195 0.31482213 0.85468754] | [0.18834095 0.86953126 0.84670582 0.88750003] | 13C NMR | 151 MHz | CDCl3 | 162.36, 154.82, 147.33, 145.45, 137.51, 135.12, 134.58, 131.26, 129.10, 128.96, 128.88, 128.69, 128.58, 128.48, 127.38, 126.65, 126.02, 118.37, 31.49, 21.96 | null | [(162.36, None, None), (154.82, None, None), (147.33, None, None), (145.45, None, None), (137.51, None, None), (135.12, None, None), (134.58, None, None), (131.26, None, None), (129.1, None, None), (128.96, None, None), (128.88, None, None), (128.69, None, None), (128.58, None, None), (128.48, None, None), (127.38, Non... | 24 | 20 | 20 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3c(C)cccc3c(=O)n2C)ccccc1 | 12 | 12 | [0.15133554 0.28398439 0.2916247 0.37070315] | [0.14857395 0.37968753 0.84836274 0.56171879] | 1H NMR | 400 MHz | CDCl3 | 8.27 (d, J = 8.1 Hz, 1H), 7.58 (s, 1H), 7.51-7.42 (m, 2H), 7.41-7.36 (m, 3H), 7.31 (d, J = 5.7 Hz, 2H), 7.27-7.15 (m, 5H), 3.41 (s, 3H), 2.53 (s, 3H) | null | [('d', ['8.1Hz'], '1H', 8.27, 8.27), ('s', [], '1H', 7.58, 7.58), ('m', [], '2H', 7.51, 7.42), ('m', [], '3H', 7.41, 7.36), ('d', ['5.7Hz'], '2H', 7.31, 7.31), ('m', [], '5H', 7.27, 7.15), ('s', [], '3H', 3.41, 3.41), ('s', [], '3H', 2.53, 2.53)] | 20 | 12 | 20 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccc(OC)cc3c(=O)n2C)ccccc1 | 12 | 12 | [0.1516117 0.60546879 0.34133345 0.69765626] | [0.1474693 0.71328126 0.84836274 0.89453132] | 1H NMR | 400 MHz | CDCl3 | 7.79-7.67 (m, 2H), 7.52-7.44 (m, 2H), 7.43-7.34 (m, 4H), 7.31 (s, 1H), 7.26-7.19 (m, 3H), 7.16 (dd, J = 6.7, 3.1 Hz, 2H), 3.98 (s, 3H), 3.43 (s, 3H) | null | [('m', [], '2H', 7.79, 7.67), ('m', [], '2H', 7.52, 7.44), ('m', [], '4H', 7.43, 7.34), ('s', [], '1H', 7.31, 7.31), ('m', [], '3H', 7.26, 7.19), ('dd', ['6.7Hz', '3.1Hz'], '2H', 7.16, 7.16), ('s', [], '3H', 3.98, 3.98), ('s', [], '3H', 3.43, 3.43)] | 20 | 12 | 20 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccc(OC)cc3c(=O)n2C)ccccc1 | 12 | 12 | [0.1516117 0.60546879 0.34133345 0.69765626] | [0.1474693 0.71328126 0.84836274 0.89453132] | 13C NMR | 101 MHz | CDCl3 | 162.28, 158.87, 152.41, 141.81, 137.64, 135.15, 134.48, 131.53, 129.27, 129.10, 128.86, 128.69, 128.57, 128.49, 126.03, 124.82, 121.55, 106.07, 55.93, 31.70 | null | [(162.28, None, None), (158.87, None, None), (152.41, None, None), (141.81, None, None), (137.64, None, None), (135.15, None, None), (134.48, None, None), (131.53, None, None), (129.27, None, None), (129.1, None, None), (128.86, None, None), (128.69, None, None), (128.57, None, None), (128.49, None, None), (126.03, Non... | 24 | 20 | 20 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccc(F)cc3c(=O)n2C)ccccc1 | 13 | 13 | [0.15188787 0.12460938 0.31703139 0.21484377] | [0.1474693 0.23125001 0.84836274 0.44218753] | 1H NMR | 400 MHz | CDCl3 | 8.01 (dd, J = 8.5, 2.9 Hz, 1H), 7.80 (dd, J = 8.9, 4.8 Hz, 1H), 7.52 (d, J = 8.1 Hz, 1H), 7.49-7.44 (m, 2H), 7.44-7.38 (m, 3H), 7.32 (s, 1H), 7.26-7.22 (m, 3H), 7.18-7.14 (m, 2H), 3.43 (s, 3H) | null | [('dd', ['8.5Hz', '2.9Hz'], '1H', 8.01, 8.01), ('dd', ['8.9Hz', '4.8Hz'], '1H', 7.8, 7.8), ('d', ['8.1Hz'], '1H', 7.52, 7.52), ('m', [], '2H', 7.49, 7.44), ('m', [], '3H', 7.44, 7.38), ('s', [], '1H', 7.32, 7.32), ('m', [], '3H', 7.26, 7.22), ('m', [], '2H', 7.18, 7.14), ('s', [], '3H', 3.43, 3.43)] | 17 | 11 | 17 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccc(F)cc3c(=O)n2C)ccccc1 | 13 | 13 | [0.15188787 0.12460938 0.31703139 0.21484377] | [0.1474693 0.23125001 0.84836274 0.44218753] | 13C NMR | 101 MHz | CDCl3 | 161.24 (d, J = 247.0 Hz), 161.80 (d, J = 4.0 Hz), 154.06, 144.03, 137.42, 135.03, 134.43, 131.56, 130.31, 130.23, 129.17, 128.92, 128.81, 128.68, 128.45, 126.01, 123.23, 122.99, 111.65 (d, J = 23.0 Hz), 31.74 | null | [(161.24, 'd', 247.0), (161.8, 'd', 4.0), (154.06, None, None), (144.03, None, None), (137.42, None, None), (135.03, None, None), (134.43, None, None), (131.56, None, None), (130.31, None, None), (130.23, None, None), (129.17, None, None), (128.92, None, None), (128.81, None, None), (128.68, None, None), (128.45, None,... | 23 | 19 | 20 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccc(F)cc3c(=O)n2C)ccccc1 | 13 | 13 | [0.15188787 0.12460938 0.31703139 0.21484377] | [0.1474693 0.23125001 0.84836274 0.44218753] | 19F NMR | 377 MHz | CDCl3 | -111.93 | null | [(-111.93, None, None)] | 1 | 1 | 1 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(F)ccc3c(=O)n2C)ccccc1 | 13 | 13 | [0.15133554 0.48515628 0.31537444 0.57656251] | [0.14857395 0.59218751 0.84946742 0.80312501] | 1H NMR | 400 MHz | CDCl3 | 8.40 (d, J = 8.9 Hz, 1H), 7.51-7.45 (m, 2H), 7.45-7.35 (m, 4H), 7.32 (s, 1H), 7.30-7.27 (m, 1H), 7.26-7.23 (m, 3H), 7.21-7.14 (m, 2H), 3.42 (s, 3H) | null | [('d', ['8.9Hz'], '1H', 8.4, 8.4), ('m', [], '2H', 7.51, 7.45), ('m', [], '4H', 7.45, 7.35), ('s', [], '1H', 7.32, 7.32), ('m', [], '1H', 7.3, 7.27), ('m', [], '3H', 7.26, 7.23), ('m', [], '2H', 7.21, 7.14), ('s', [], '3H', 3.42, 3.42)] | 17 | 11 | 17 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(F)ccc3c(=O)n2C)ccccc1 | 13 | 13 | [0.15133554 0.48515628 0.31537444 0.57656251] | [0.14857395 0.59218751 0.84946742 0.80312501] | 13C NMR | 101 MHz | CDCl3 | 166.48 (d, J = 253.0 Hz), 161.75, 156.16, 136.14 (d, J = 229.0 Hz), 134.47, 131.42, 129.65, 129.55, 129.18, 128.94, 128.84, 128.72, 128.43, 125.99, 117.54, 117.52, 116.19 (d, J = 24.0 Hz), 113.01 (d, J = 22.0 Hz), 31.62 | null | [(166.48, 'd', 253.0), (161.75, None, None), (156.16, None, None), (136.14, 'd', 229.0), (134.47, None, None), (131.42, None, None), (129.65, None, None), (129.55, None, None), (129.18, None, None), (128.94, None, None), (128.84, None, None), (128.72, None, None), (128.43, None, None), (125.99, None, None), (117.54, No... | 23 | 19 | 19 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(F)ccc3c(=O)n2C)ccccc1 | 13 | 13 | [0.15133554 0.48515628 0.31537444 0.57656251] | [0.14857395 0.59218751 0.84946742 0.80312501] | 19F NMR | 377 MHz | CDCl3 | -103.05 | null | [(-103.05, None, None)] | 1 | 1 | 1 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(C(F)(F)F)ccc3c(=O)n2C)ccccc1 | 14 | 14 | [0.15244018 0.09614259 0.34354273 0.18789064] | [0.1474693 0.20351564 0.85278131 0.44062501] | 1H NMR | 400 MHz | CDCl3 | 8.50 (d, J = 8.4 Hz, 1H), 8.15-7.98 (m, 1H), 7.76 (dd, J = 8.3, 1.7 Hz, 1H), 7.51-7.36 (m, 5H), 7.33 (s, 1H), 7.26-7.24 (m, 2H), 7.18 (dd, J = 6.8, 3.1 Hz, 2H), 6.87 (d, J = 1.0 Hz, 1H), 3.44 (s, 3H) | null | [('d', ['8.4Hz'], '1H', 8.5, 8.5), ('m', [], '1H', 8.15, 7.98), ('dd', ['8.3Hz', '1.7Hz'], '1H', 7.76, 7.76), ('m', [], '5H', 7.51, 7.36), ('s', [], '1H', 7.33, 7.33), ('m', [], '2H', 7.26, 7.24), ('dd', ['6.8Hz', '3.1Hz'], '2H', 7.18, 7.18), ('d', ['1.0Hz'], '1H', 6.87, 6.87), ('s', [], '3H', 3.44, 3.44)] | 17 | 11 | 17 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(C(F)(F)F)ccc3c(=O)n2C)ccccc1 | 14 | 14 | [0.15244018 0.09614259 0.34354273 0.18789064] | [0.1474693 0.20351564 0.85278131 0.44062501] | 13C NMR | 101 MHz | CDCl3 | 161.69, 156.33, 147.32, 137.26, 136.00 (q, J = 33.0 Hz), 134.96, 134.38, 131.62, 131.42, 129.21, 128.98, 128.89, 128.79, 128.37, 128.05, 126.56, 126.00, 125.41 (q, J = 3.5 Hz), 124.07 (q, J = 224.1 Hz), 123.26 (q, J =3.5Hz), 31.82 | null | [(161.69, None, None), (156.33, None, None), (147.32, None, None), (137.26, None, None), (136.0, 'q', 33.0), (134.96, None, None), (134.38, None, None), (131.62, None, None), (131.42, None, None), (129.21, None, None), (128.98, None, None), (128.89, None, None), (128.79, None, None), (128.37, None, None), (128.05, None... | 24 | 20 | 21 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(C(F)(F)F)ccc3c(=O)n2C)ccccc1 | 14 | 14 | [0.15244018 0.09614259 0.34354273 0.18789064] | [0.1474693 0.20351564 0.85278131 0.44062501] | 19F NMR | 377 MHz | CDCl3 | -63.23 | null | [(-63.23, None, None)] | 3 | 1 | 1 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3cc(C(=O)OC)ccc3c(=O)n2C)ccccc1 | 14 | 14 | [0.15133554 0.51406251 0.35458912 0.60468754] | [0.1474693 0.61953126 0.84781045 0.80312501] | 1H NMR | 400 MHz | CDCl3 | 8.56-8.35 (m, 2H), 8.17 (d, J = 8.4 Hz, 1H), 7.48 (d, J = 7.4 Hz, 2H), 7.44-7.37 (m, 3H), 7.32 (s, 1H), 7.26-7.20 (m, 3H), 6.86 (s, 2H), 3.98 (s, 3H), 3.43 (s, 3H) | null | [('m', [], '2H', 8.56, 8.35), ('d', ['8.4Hz'], '1H', 8.17, 8.17), ('d', ['7.4Hz'], '2H', 7.48, 7.48), ('m', [], '3H', 7.44, 7.37), ('s', [], '1H', 7.32, 7.32), ('m', [], '3H', 7.26, 7.2), ('s', [], '2H', 6.86, 6.86), ('s', [], '3H', 3.98, 3.98), ('s', [], '3H', 3.43, 3.43)] | 20 | 12 | 20 |
10.1002_ejoc.202401100 | c1ccc(Cn2c(C(c3ccccc3)=Cc3ccccc3)nc3cc(OC)c(OC)cc3c2=O)cc1 | 15 | 15 | [0.15050707 0.0963379 0.34133345 0.18769532] | [0.14857395 0.20351564 0.84946742 0.41406254] | 1H NMR | 400 MHz | CDCl3 | 7.76 (s, 1H), 7.46-7.35 (m, 2H), 7.35-7.29 (m, 2H), 7.22 (d, J = 2.5 Hz, 2H), 7.13 (dt, J = 14.4, 7.0 Hz, 3H), 7.01 (dd, J = 8.0, 5.1 Hz, 6H), 6.86 (s, 2H), 5.36-5.23 (m, 1H), 4.99 (d, J = 15.0 Hz, 1H), 4.07 (s, 3H), 4.01 (s, 3H) | null | [('s', [], '1H', 7.76, 7.76), ('m', [], '2H', 7.46, 7.35), ('m', [], '2H', 7.35, 7.29), ('d', ['2.5Hz'], '2H', 7.22, 7.22), ('dt', ['14.4Hz', '7.0Hz'], '3H', 7.13, 7.13), ('dd', ['8.0Hz', '5.1Hz'], '6H', 7.01, 7.01), ('s', [], '2H', 6.86, 6.86), ('m', [], '1H', 5.36, 5.23), ('d', ['15.0Hz'], '1H', 4.99, 4.99), ('s', []... | 26 | 15 | 26 |
10.1002_ejoc.202401100 | c1ccc(Cn2c(C(c3ccccc3)=Cc3ccccc3)nc3cc(OC)c(OC)cc3c2=O)cc1 | 15 | 15 | [0.15050707 0.0963379 0.34133345 0.18769532] | [0.14857395 0.20351564 0.84946742 0.41406254] | 13C NMR | 151 MHz | CDCl3 | 162.08, 155.22, 153.23, 149.64, 140.61, 140.30, 137.97, 135.74, 134.94, 131.41, 128.89, 128.79, 128.51, 128.43, 128.33, 128.08, 127.77, 127.24, 126.78, 126.56, 126.14, 125.17, 114.58, 108.10, 105.97, 56.40, 48.15 | null | [(162.08, None, None), (155.22, None, None), (153.23, None, None), (149.64, None, None), (140.61, None, None), (140.3, None, None), (137.97, None, None), (135.74, None, None), (134.94, None, None), (131.41, None, None), (128.89, None, None), (128.79, None, None), (128.51, None, None), (128.43, None, None), (128.33, Non... | 31 | 25 | 27 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccccc3c(=O)n2CC)ccccc1 | 15 | 15 | [0.1516117 0.45078127 0.29300549 0.53828129] | [0.14857395 0.5464844 0.85001971 0.75585945] | 1H NMR | 600 MHz | CDCl3 | 8.40 (d, J = 8.0 Hz, 1H), 7.92-7.76 (m, 2H), 7.60-7.45 (m, 3H), 7.40 (t, J = 7.5 Hz, 2H), 7.37 (d, J = 7.1 Hz, 1H), 7.29 (s, 1H), 7.22 (s, 5H), 4.08 (dd, J = 13.7, 7.0 Hz, 1H), 3.98 (dd, J = 13.8, 7.0 Hz, 1H), 0.95 (t, J = 7.1 Hz, 3H) | null | [('d', ['8.0Hz'], '1H', 8.4, 8.4), ('m', [], '2H', 7.92, 7.76), ('m', [], '3H', 7.6, 7.45), ('t', ['7.5Hz'], '2H', 7.4, 7.4), ('d', ['7.1Hz'], '1H', 7.37, 7.37), ('s', [], '1H', 7.29, 7.29), ('s', [], '5H', 7.22, 7.22), ('dd', ['13.7Hz', '7.0Hz'], '1H', 4.08, 4.08), ('dd', ['13.8Hz', '7.0Hz'], '1H', 3.98, 3.98), ('t', ... | 20 | 13 | 20 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccccc3c(=O)n2CC)ccccc1 | 15 | 15 | [0.1516117 0.45078127 0.29300549 0.53828129] | [0.14857395 0.5464844 0.85001971 0.75585945] | 13C NMR | 101 MHz | CDCl3 | 162.24, 154.31, 147.46, 138.10, 135.06, 134.61, 134.34, 131.45, 131.42, 129.06, 128.86, 128.78, 128.68, 128.55, 127.79, 127.23, 126.73, 126.57, 126.16, 121.26, 41.37, 13.35 | null | [(162.24, None, None), (154.31, None, None), (147.46, None, None), (138.1, None, None), (135.06, None, None), (134.61, None, None), (134.34, None, None), (131.45, None, None), (131.42, None, None), (129.06, None, None), (128.86, None, None), (128.78, None, None), (128.68, None, None), (128.55, None, None), (127.79, Non... | 24 | 20 | 22 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nc3ccccc3c(=O)n2CCCC)cc1 | 15 | 16 | [0.15105939 0.80078132 0.31924067 0.89140628] | [0.14802163 0.09140625 0.84836274 0.30332033] | 1H NMR | 400 MHz | CDCl3 | 8.39 (dt, J = 8.1, 1.1 Hz, 1H), 7.91-7.73 (m, 2H), 7.57 (dt, J = 8.2, 4.2 Hz, 1H), 7.55-7.46 (m, 2H), 7.45-7.33 (m, 3H), 7.27 (t, J = 4.8 Hz, 2H), 7.22 (d, J = 1.5 Hz, 4H), 4.08-3.75 (m, 2H), 1.47-1.18 (m, 2H), 1.17-1.10 (m, 2H), 0.75 (t, J = 7.2 Hz, 3H) | null | [('dt', ['8.1Hz', '1.1Hz'], '1H', 8.39, 8.39), ('m', [], '2H', 7.91, 7.73), ('dt', ['8.2Hz', '4.2Hz'], '1H', 7.57, 7.57), ('m', [], '2H', 7.55, 7.46), ('m', [], '3H', 7.45, 7.33), ('t', ['4.8Hz'], '2H', 7.27, 7.27), ('d', ['1.5Hz'], '4H', 7.22, 7.22), ('m', [], '2H', 4.08, 3.75), ('m', [], '2H', 1.47, 1.18), ('m', [], ... | 24 | 15 | 24 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nc3ccccc3c(=O)n2CCCC)cc1 | 15 | 16 | [0.15105939 0.80078132 0.31924067 0.89140628] | [0.14802163 0.09140625 0.84836274 0.30332033] | 13C NMR | 151 MHz | CDCl3 | 162.28, 154.41, 138.14, 135.08, 134.57, 134.38, 131.79, 129.79, 129.45, 129.04, 128.82, 128.77, 128.70, 128.57, 128.42, 128.28, 127.61, 127.29, 126.87, 126.78, 126.22, 121.15, 46.07, 29.93, 20.15, 13.42 | null | [(162.28, None, None), (154.41, None, None), (138.14, None, None), (135.08, None, None), (134.57, None, None), (134.38, None, None), (131.79, None, None), (129.79, None, None), (129.45, None, None), (129.04, None, None), (128.82, None, None), (128.77, None, None), (128.7, None, None), (128.57, None, None), (128.42, Non... | 26 | 22 | 26 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 | 16 | 16 | [0.15105939 0.34492188 0.3032234 0.43828128] | [0.14912627 0.45351564 0.84836274 0.66445314] | 1H NMR | 400 MHz | CDCl3 | 8.42 (dd, J = 7.9, 1.4 Hz, 1H), 7.99-7.82 (m, 2H), 7.62 (ddd, J = 8.2, 6.9, 1.5 Hz, 1H), 7.28 (ddt, J = 6.1, 4.7, 2.2 Hz, 9H), 7.22-7.15 (m, 3H), 7.05 (td, J = 7.8, 1.6 Hz, 1H), 6.83 (s, 1H), 6.71 (dt, J = 7.9, 1.6 Hz, 1H), 6.57 (dt, J = 7.9, 1.6 Hz, 1H) | null | [('dd', ['7.9Hz', '1.4Hz'], '1H', 8.42, 8.42), ('m', [], '2H', 7.99, 7.82), ('ddd', ['8.2Hz', '6.9Hz', '1.5Hz'], '1H', 7.62, 7.62), ('ddt', ['6.1Hz', '4.7Hz', '2.2Hz'], '9H', 7.28, 7.28), ('m', [], '3H', 7.22, 7.15), ('td', ['7.8Hz', '1.6Hz'], '1H', 7.05, 7.05), ('s', [], '1H', 6.83, 6.83), ('dt', ['7.9Hz', '1.6Hz'], '... | 20 | 14 | 20 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 | 16 | 16 | [0.15105939 0.34492188 0.3032234 0.43828128] | [0.14912627 0.45351564 0.84836274 0.66445314] | 13C NMR | 151 MHz | CDCl3 | 162.38, 154.12, 147.03, 138.58, 136.17, 135.52, 135.10, 134.88, 132.30, 128.98, 128.90, 128.75, 128.63, 128.54, 128.36, 128.22, 128.12, 127.79, 127.66, 127.34, 127.27, 126.57, 126.31, 121.39 | null | [(162.38, None, None), (154.12, None, None), (147.03, None, None), (138.58, None, None), (136.17, None, None), (135.52, None, None), (135.1, None, None), (134.88, None, None), (132.3, None, None), (128.98, None, None), (128.9, None, None), (128.75, None, None), (128.63, None, None), (128.54, None, None), (128.36, None,... | 28 | 22 | 24 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)ccccc1 | 16 | 16 | [0.1516117 0.70625004 0.32117378 0.79921876] | [0.14802163 0.81484376 0.84725811 0.88671882] | 1H NMR | 600 MHz | CDCl3 | 8.42 (dd, J = 8.0, 1.4 Hz, 1H), 7.96-7.87 (m, 2H), 7.64-7.57 (m, 1H), 7.31-7.24 (m, 8H), 7.05-6.94 (m, 2H), 6.88-6.81 (m, 2H), 6.77-6.67 (m, 1H), 6.58 (dd, J = 8.1, 2.3 Hz, 1H), 6.45 (dd, J = 8.0, 2.3 Hz, 1H), 2.31 (s, 3H) | null | [('dd', ['8.0Hz', '1.4Hz'], '1H', 8.42, 8.42), ('m', [], '2H', 7.96, 7.87), ('m', [], '1H', 7.64, 7.57), ('m', [], '8H', 7.31, 7.24), ('m', [], '2H', 7.05, 6.94), ('m', [], '2H', 6.88, 6.81), ('m', [], '1H', 6.77, 6.67), ('dd', ['8.1Hz', '2.3Hz'], '1H', 6.58, 6.58), ('dd', ['8.0Hz', '2.3Hz'], '1H', 6.45, 6.45), ('s', [... | 22 | 14 | 22 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 | 17 | 17 | [0.15133554 0.28828126 0.32421155 0.38359378] | [0.14857395 0.39765626 0.84891508 0.63671875] | 1H NMR | 400 MHz | CDCl3 | 8.46-8.32 (m, 1H), 8.01-7.82 (m, 2H), 7.69-7.57 (m, 1H), 7.36-7.23 (m, 9H), 7.19-7.03 (m, 1H), 6.90-6.80 (m, 2H), 6.77-6.69 (m, 1H), 6.63 (ddd, J = 8.6, 4.8, 2.7 Hz, 1H), 6.54 (ddd, J = 8.4, 4.7, 2.7 Hz, 1H) | null | [('m', [], '1H', 8.46, 8.32), ('m', [], '2H', 8.01, 7.82), ('m', [], '1H', 7.69, 7.57), ('m', [], '9H', 7.36, 7.23), ('m', [], '1H', 7.19, 7.03), ('m', [], '2H', 6.9, 6.8), ('m', [], '1H', 6.77, 6.69), ('ddd', ['8.6Hz', '4.8Hz', '2.7Hz'], '1H', 6.63, 6.63), ('ddd', ['8.4Hz', '4.7Hz', '2.7Hz'], '1H', 6.54, 6.54)] | 19 | 13 | 19 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 | 17 | 17 | [0.15133554 0.28828126 0.32421155 0.38359378] | [0.14857395 0.39765626 0.84891508 0.63671875] | 13C NMR | 101 MHz | CDCl3 | 162.54 (d, J = 249.2 Hz), 162.49, 153.81, 147.29, 138.49, 135.49, 135.24, 134.91, 132.18 (d, J = 4.0 Hz), 132.02, 129.94, 129.85, 129.25, 129.16, 128.92, 128.79, 128.65, 128.60, 128.35, 128.05, 127.67, 127.23, 126.24, 121.34, 115.55 (d, J = 23.2 Hz), 115.22 | null | [(162.54, 'd', 249.2), (162.49, None, None), (153.81, None, None), (147.29, None, None), (138.49, None, None), (135.49, None, None), (135.24, None, None), (134.91, None, None), (132.18, 'd', 4.0), (132.02, None, None), (129.94, None, None), (129.85, None, None), (129.25, None, None), (129.16, None, None), (128.92, None... | 28 | 22 | 26 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 | 17 | 17 | [0.15133554 0.28828126 0.32421155 0.38359378] | [0.14857395 0.39765626 0.84891508 0.63671875] | 19F NMR | 377 MHz | CDCl3 | -112.21 | null | [(-112.21, None, None)] | 1 | 1 | 1 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccccc3c(=O)n2-c2cc(OC)c(OC)c(OC)c2)ccccc1 | 18 | 18 | [0.15133554 0.20703127 0.35237984 0.31796877] | [0.14802163 0.33300781 0.84781045 0.54375003] | 1H NMR | 400 MHz | CDCl3 | 8.43 (dd, J = 8.0, 1.4 Hz, 1H), 8.02-7.87 (m, 2H), 7.64 (ddt, J = 8.0, 6.9, 1.1 Hz, 1H), 7.31 (s, 5H), 7.27 (s, 5H), 6.85 (s, 1H), 5.91 (d, J = 2.3 Hz, 1H), 5.71 (d, J = 2.3 Hz, 1H), 3.81 (s, 3H), 3.28 (s, 3H), 3.23 (s, 3H) | null | [('dd', ['8.0Hz', '1.4Hz'], '1H', 8.43, 8.43), ('m', [], '2H', 8.02, 7.87), ('ddt', ['8.0Hz', '6.9Hz', '1.1Hz'], '1H', 7.64, 7.64), ('s', [], '5H', 7.31, 7.31), ('s', [], '5H', 7.27, 7.27), ('s', [], '1H', 6.85, 6.85), ('d', ['2.3Hz'], '1H', 5.91, 5.91), ('d', ['2.3Hz'], '1H', 5.71, 5.71), ('s', [], '3H', 3.81, 3.81), ... | 26 | 14 | 26 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc3ccccc3c(=O)n2-c2cc(OC)c(OC)c(OC)c2)ccccc1 | 18 | 18 | [0.15133554 0.20703127 0.35237984 0.31796877] | [0.14802163 0.33300781 0.84781045 0.54375003] | 13C NMR | 101 MHz | CDCl3 | 162.55, 153.86, 152.87, 152.58, 147.28, 138.96, 138.10, 135.75, 134.95, 134.91, 131.58, 131.41, 131.37, 128.92, 128.81, 128.63, 128.44, 128.19, 128.06, 127.66, 127.22, 126.55, 126.27, 121.42, 105.30, 104.31, 60.76, 55.42, 55.33 | null | [(162.55, None, None), (153.86, None, None), (152.87, None, None), (152.58, None, None), (147.28, None, None), (138.96, None, None), (138.1, None, None), (135.75, None, None), (134.95, None, None), (134.91, None, None), (131.58, None, None), (131.41, None, None), (131.37, None, None), (128.92, None, None), (128.81, Non... | 31 | 24 | 29 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc(C)c(C)c(=O)n2CCCC)ccccc1 | 18 | 18 | [0.1502309 0.58437501 0.31868836 0.68203126] | [0.14691699 0.69453129 0.85057205 0.87734376] | 1H NMR | 400 MHz | CDCl3 | 7.51-7.31 (m, 5H), 7.30-7.24 (m, 3H), 7.21 (d, J = 10.7 Hz, 1H), 7.19-7.02 (m, 2H), 3.92-3.61 (m, 2H), 2.37 (s, 3H), 2.19 (s, 3H), 1.60-1.20 (m, 2H), 1.13-1.05 (m, 2H), 0.80-0.59 (m, 3H) | null | [('m', [], '5H', 7.51, 7.31), ('m', [], '3H', 7.3, 7.24), ('d', ['10.7Hz'], '1H', 7.21, 7.21), ('m', [], '2H', 7.19, 7.02), ('m', [], '2H', 3.92, 3.61), ('s', [], '3H', 2.37, 2.37), ('s', [], '3H', 2.19, 2.19), ('m', [], '2H', 1.6, 1.2), ('m', [], '2H', 1.13, 1.05), ('m', [], '3H', 0.8, 0.59)] | 26 | 13 | 26 |
10.1002_ejoc.202401100 | c1(/C=C(/c2ccccc2)c2nc(C)c(C)c(=O)n2CCCC)ccccc1 | 18 | 18 | [0.1502309 0.58437501 0.31868836 0.68203126] | [0.14691699 0.69453129 0.85057205 0.87734376] | 13C NMR | 151 MHz | CDCl3 | 162.97, 158.16, 154.78, 138.20, 135.11, 134.39, 131.46, 128.95, 128.86, 128.79, 128.70, 128.59, 128.50, 126.12, 119.58, 46.27, 29.66, 21.73, 20.15, 13.36, 11.86 | null | [(162.97, None, None), (158.16, None, None), (154.78, None, None), (138.2, None, None), (135.11, None, None), (134.39, None, None), (131.46, None, None), (128.95, None, None), (128.86, None, None), (128.79, None, None), (128.7, None, None), (128.59, None, None), (128.5, None, None), (126.12, None, None), (119.58, None,... | 24 | 20 | 21 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nccc(=O)n2CCCC)cc1 | 19 | 19 | [0.15105939 0.0928711 0.29190087 0.19169923] | [0.14802163 0.20351564 0.84836274 0.38632815] | 1H NMR | 400 MHz | CDCl3 | 8.02 (d, J = 6.5 Hz, 1H), 7.55-7.35 (m, 5H), 7.29 (dt, J = 4.2, 2.2 Hz, 3H), 7.21 (s, 1H), 7.16-7.07 (m, 2H), 6.53 (d, J = 6.5 Hz, 1H), 3.90-3.65 (m, 2H), 1.50-1.22 (m, 2H), 1.14-1.06 (m, 2H), 0.68 (t, J = 7.1 Hz, 3H) | null | [('d', ['6.5Hz'], '1H', 8.02, 8.02), ('m', [], '5H', 7.55, 7.35), ('dt', ['4.2Hz', '2.2Hz'], '3H', 7.29, 7.29), ('s', [], '1H', 7.21, 7.21), ('m', [], '2H', 7.16, 7.07), ('d', ['6.5Hz'], '1H', 6.53, 6.53), ('m', [], '2H', 3.9, 3.65), ('m', [], '2H', 1.5, 1.22), ('m', [], '2H', 1.14, 1.06), ('t', ['7.1Hz'], '3H', 0.68, ... | 22 | 13 | 22 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)c2nccc(=O)n2CCCC)cc1 | 19 | 19 | [0.15105939 0.0928711 0.29190087 0.19169923] | [0.14802163 0.20351564 0.84836274 0.38632815] | 13C NMR | 151 MHz | CDCl3 | 162.24, 159.79, 152.49, 137.92, 134.92, 134.32, 131.77, 129.10, 128.90, 128.84, 128.80, 128.76, 128.73, 128.69, 128.26, 128.20, 126.14, 114.74, 46.19, 29.51, 20.13, 13.38 | null | [(162.24, None, None), (159.79, None, None), (152.49, None, None), (137.92, None, None), (134.92, None, None), (134.32, None, None), (131.77, None, None), (129.1, None, None), (128.9, None, None), (128.84, None, None), (128.8, None, None), (128.76, None, None), (128.73, None, None), (128.69, None, None), (128.26, None,... | 22 | 18 | 22 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)c2nccc(=O)n2CCCC)cc1 | 19 | 19 | [0.15133554 0.42617189 0.28306376 0.54335939] | [0.14802163 0.55625002 0.85057205 0.76640628] | 1H NMR | 600 MHz | CDCl3 | 7.89 (s, 1H), 7.78 (s, 1H), 7.44 (d, J = 6.6 Hz, 4H), 7.41-7.36 (m, 3H), 7.35-7.28 (m, 6H), 7.21 (s, 1H), 7.19-7.11 (m, 5H), 7.05 (dd, J = 7.3, 2.2 Hz, 2H), 3.87 (dd, J = 23.0, 12.8, 4.7 Hz, 2H), 1.14-1.08 (m, 2H), 0.93-0.85 (m, 2H), 0.68 (t, J = 6.9 Hz, 3H) | null | [('s', [], '1H', 7.89, 7.89), ('s', [], '1H', 7.78, 7.78), ('d', ['6.6Hz'], '4H', 7.44, 7.44), ('m', [], '3H', 7.41, 7.36), ('m', [], '6H', 7.35, 7.28), ('s', [], '1H', 7.21, 7.21), ('m', [], '5H', 7.19, 7.11), ('dd', ['7.3Hz', '2.2Hz'], '2H', 7.05, 7.05), ('dd', ['23.0Hz', '12.8Hz', '4.7Hz'], '2H', 3.87, 3.87), ('m', ... | 32 | 19 | 32 |
10.1002_ejoc.202401100 | c1ccc(C=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)c2nccc(=O)n2CCCC)cc1 | 19 | 19 | [0.15133554 0.42617189 0.28306376 0.54335939] | [0.14802163 0.55625002 0.85057205 0.76640628] | 13C NMR | 151 MHz | CDCl3 | 161.09, 157.82, 138.92, 138.09, 137.03, 135.53, 135.05, 134.48, 132.32, 131.96, 129.89, 129.82, 129.66, 129.36, 129.11, 128.85, 128.79, 128.73, 128.33, 127.88, 127.63, 127.13, 127.06, 126.24, 46.65, 29.53, 20.23, 13.42 | null | [(161.09, None, None), (157.82, None, None), (138.92, None, None), (138.09, None, None), (137.03, None, None), (135.53, None, None), (135.05, None, None), (134.48, None, None), (132.32, None, None), (131.96, None, None), (129.89, None, None), (129.82, None, None), (129.66, None, None), (129.36, None, None), (129.11, No... | 36 | 28 | 28 |
10.1002_ejoc.202401100 | Cc1ccc(/C=C(/c2ccc(C)cc2)c2nc3ccccc3c(=O)n2C)cc1 | 20 | 20 | [0.15133554 0.0979004 0.34160962 0.2044922 ] | [0.14802163 0.22148439 0.84836274 0.4324219 ] | 1H NMR | 400 MHz | CDCl3 | 8.39 (dt, J = 8.2, 1.1 Hz, 1H), 7.82-7.75 (m, 2H), 7.57 (ddd, J = 8.1, 5.9, 2.4 Hz, 1H), 7.38-7.32 (m, 2H), 7.26-7.10 (m, 4H), 7.03 (d, J = 3.9 Hz, 3H), 3.42 (s, 3H), 2.38 (s, 3H), 2.28 (s, 3H) | null | [('dt', ['8.2Hz', '1.1Hz'], '1H', 8.39, 8.39), ('m', [], '2H', 7.82, 7.75), ('ddd', ['8.1Hz', '5.9Hz', '2.4Hz'], '1H', 7.57, 7.57), ('m', [], '2H', 7.38, 7.32), ('m', [], '4H', 7.26, 7.1), ('d', ['3.9Hz'], '3H', 7.03, 7.03), ('s', [], '3H', 3.42, 3.42), ('s', [], '3H', 2.38, 2.38), ('s', [], '3H', 2.28, 2.28)] | 22 | 12 | 22 |
10.1002_ejoc.202401100 | COc1ccc(/C=C(/c2ccc(OC)cc2)c2nc3ccccc3c(=O)n2C)cc1 | 20 | 20 | [0.15078323 0.47421877 0.36342623 0.58750002] | [0.14802163 0.60156254 0.84946742 0.81093751] | 1H NMR | 600 MHz | CDCl3 | 8.47-8.34 (m, 1H), 7.87-7.71 (m, 2H), 7.57 (ddd, J = 8.2, 5.8, 2.4 Hz, 1H), 7.45-7.33 (m, 2H), 7.15 (s, 1H), 7.08 (d, J = 8.7 Hz, 2H), 6.91 (d, J = 8.6 Hz, 2H), 6.74 (d, J = 8.7 Hz, 2H), 3.83 (s, 3H), 3.75 (s, 3H), 3.43 (s, 3H) | null | [('m', [], '1H', 8.47, 8.34), ('m', [], '2H', 7.87, 7.71), ('ddd', ['8.2Hz', '5.8Hz', '2.4Hz'], '1H', 7.57, 7.57), ('m', [], '2H', 7.45, 7.33), ('s', [], '1H', 7.15, 7.15), ('d', ['8.7Hz'], '2H', 7.08, 7.08), ('d', ['8.6Hz'], '2H', 6.91, 6.91), ('d', ['8.7Hz'], '2H', 6.74, 6.74), ('s', [], '3H', 3.83, 3.83), ('s', [], ... | 22 | 12 | 22 |
10.1002_ejoc.202401100 | COc1ccc(/C=C(/c2ccc(OC)cc2)c2nc3ccccc3c(=O)n2C)cc1 | 20 | 20 | [0.15078323 0.47421877 0.36342623 0.58750002] | [0.14802163 0.60156254 0.84946742 0.81093751] | 13C NMR | 151 MHz | CDCl3 | 162.53, 159.81, 159.56, 155.31, 147.34, 134.35, 131.93, 130.31, 129.76, 129.11, 128.00, 127.69, 127.21, 127.12, 126.81, 120.75, 114.47, 114.32, 55.36, 55.21, 31.52 | null | [(162.53, None, None), (159.81, None, None), (159.56, None, None), (155.31, None, None), (147.34, None, None), (134.35, None, None), (131.93, None, None), (130.31, None, None), (129.76, None, None), (129.11, None, None), (128.0, None, None), (127.69, None, None), (127.21, None, None), (127.12, None, None), (126.81, Non... | 25 | 21 | 21 |
10.1002_ejoc.202401100 | Cn1c(C(=Cc2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc2c1=O | 21 | 21 | [0.15133554 0.09433594 0.35210369 0.20800783] | [0.14802163 0.22187501 0.85057205 0.43203126] | 1H NMR | 400 MHz | CDCl3 | 8.44-8.27 (m, 1H), 7.93-7.74 (m, 2H), 7.59 (ddd, J = 8.2, 6.6, 1.7 Hz, 1H), 7.52-7.36 (m, 2H), 7.26-7.01 (m, 5H), 6.93 (t, J = 8.6 Hz, 2H), 3.42 (s, 3H) | null | [('m', [], '1H', 8.44, 8.27), ('m', [], '2H', 7.93, 7.74), ('ddd', ['8.2Hz', '6.6Hz', '1.7Hz'], '1H', 7.59, 7.59), ('m', [], '2H', 7.52, 7.36), ('m', [], '5H', 7.26, 7.01), ('t', ['8.6Hz'], '2H', 6.93, 6.93), ('s', [], '3H', 3.42, 3.42)] | 16 | 10 | 16 |
10.1002_ejoc.202401100 | Cn1c(C(=Cc2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc2c1=O | 21 | 21 | [0.15133554 0.09433594 0.35210369 0.20800783] | [0.14802163 0.22187501 0.85057205 0.43203126] | 13C NMR | 151 MHz | CDCl3 | 163.05 (d, J = 238.5 Hz), 165.58 (d, J = 249.0 Hz), 154.34, 146.92, 134.63, 133.38 (d, J = 19.0 Hz), 130.70 (d, J = 88.0 Hz), 130.20, 127.86, 127.80, 127.62, 127.56, 126.90, 120.69, 116.31, 116.16, 116.14, 116.00, 31.60 | null | [(163.05, 'd', 238.5), (165.58, 'd', 249.0), (154.34, None, None), (146.92, None, None), (134.63, None, None), (133.38, 'd', 19.0), (130.7, 'd', 88.0), (130.2, None, None), (127.86, None, None), (127.8, None, None), (127.62, None, None), (127.56, None, None), (126.9, None, None), (120.69, None, None), (116.31, None, No... | 23 | 19 | 19 |
10.1002_ejoc.202401100 | Cn1c(C(=Cc2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc2c1=O | 21 | 21 | [0.15133554 0.09433594 0.35210369 0.20800783] | [0.14802163 0.22187501 0.85057205 0.43203126] | 19F NMR | 377 MHz | CDCl3 | -111.45,-112.25 | null | [(-111.45, None, None), (-112.25, None, None)] | 2 | 2 | 2 |
10.1002_ejoc.202401100 | Cn1c(C(=Cc2cccc(F)c2)c2cccc(F)c2)nc2ccccc2c1=O | 21 | 21 | [0.1516117 0.47265629 0.35265601 0.60703127] | [0.14802163 0.61875006 0.84946742 0.88671882] | 1H NMR | 600 MHz | CDCl3 | 8.45-8.35 (m, 1H), 7.95-7.71 (m, 2H), 7.59 (t, J = 7.5 Hz, 1H), 7.38 (t, J = 8.0, 1H), 7.27 (s, 1H), 7.26-7.16 (m, 3H), 7.09 (td, J = 8.3, 2.4 Hz, 1H), 6.94 (ddd, J = 23.3, 8.7, 3.8 Hz, 3H), 3.42 (s, 3H) | null | [('m', [], '1H', 8.45, 8.35), ('m', [], '2H', 7.95, 7.71), ('t', ['7.5Hz'], '1H', 7.59, 7.59), ('t', "['8.0Hz']", '1H', 7.38, 7.38), ('s', [], '1H', 7.27, 7.27), ('m', [], '3H', 7.26, 7.16), ('td', ['8.3Hz', '2.4Hz'], '1H', 7.09, 7.09), ('ddd', ['23.3Hz', '8.7Hz', '3.8Hz'], '3H', 6.94, 6.94), ('s', [], '3H', 3.42, 3.42... | 16 | 14 | 16 |
10.1002_ejoc.202401100 | Cn1c(C(=Cc2cccc(F)c2)c2cccc(F)c2)nc2ccccc2c1=O | 21 | 21 | [0.1516117 0.47265629 0.35265601 0.60703127] | [0.14802163 0.61875006 0.84946742 0.88671882] | 13C NMR | 151 MHz | CDCl3 | 163.23 (d, J = 246.0 Hz), 162.92 (d, J = 204.0 Hz), 161.96, 153.60, 147.09, 139.39, 139.34, 136.86, 136.81, 134.85, 134.84, 134.57, 130.91 (d, J = 2.0 Hz), 130.77 (d, J = 5.0 Hz), 130.47 (d, J = 6.0 Hz), 127.75, 127.63, 126.90, 124.07, 124.05, 121.87, 121.85, 120.80, 116.06, 115.94, 115.92, 115.80, 115.50 (d, J = 15.0 ... | null | [(163.23, 'd', 246.0), (162.92, 'd', 204.0), (161.96, None, None), (153.6, None, None), (147.09, None, None), (139.39, None, None), (139.34, None, None), (136.86, None, None), (136.81, None, None), (134.85, None, None), (134.84, None, None), (134.57, None, None), (130.91, 'd', 2.0), (130.77, 'd', 5.0), (130.47, 'd', 6.... | 23 | 23 | 30 |
10.1002_ejoc.202401100 | Cn1c(C(=Cc2cccc(F)c2)c2cccc(F)c2)nc2ccccc2c1=O | 21 | 21 | [0.1516117 0.47265629 0.35265601 0.60703127] | [0.14802163 0.61875006 0.84946742 0.88671882] | 19F NMR | 377 MHz | CDCl3 | -111.56,-111.86 | null | [(-111.56, None, None), (-111.86, None, None)] | 2 | 2 | 2 |
10.1002_ejoc.202401100 | Cn1c(/C(=C\c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O | 22 | 22 | [0.15009283 0.11660157 0.36342623 0.2419922 ] | [0.14802163 0.25000002 0.84836274 0.43203126] | 1H NMR | 400 MHz | CDCl3 | 8.41 (dt, J = 7.8, 1.0 Hz, 1H), 7.82 (dd, J = 6.1, 1.6 Hz, 2H), 7.58 (ddd, J = 8.2, 6.1, 2.2 Hz, 1H), 7.44-7.36 (m, 4H), 7.27-7.21 (m, 3H), 7.19-7.05 (m, 2H), 3.45 (s, 3H), 1.34 (s, 9H), 1.26 (s, 9H) | null | [('dt', ['7.8Hz', '1.0Hz'], '1H', 8.41, 8.41), ('dd', ['6.1Hz', '1.6Hz'], '2H', 7.82, 7.82), ('ddd', ['8.2Hz', '6.1Hz', '2.2Hz'], '1H', 7.58, 7.58), ('m', [], '4H', 7.44, 7.36), ('m', [], '3H', 7.27, 7.21), ('m', [], '2H', 7.19, 7.05), ('s', [], '3H', 3.45, 3.45), ('s', [], '9H', 1.34, 1.34), ('s', [], '9H', 1.26, 1.26... | 34 | 12 | 34 |
10.1002_ejoc.202401100 | Cn1c(/C(=C\c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O | 22 | 22 | [0.15009283 0.11660157 0.36342623 0.2419922 ] | [0.14802163 0.25000002 0.84836274 0.43203126] | 13C NMR | 151 MHz | CDCl3 | 162.46, 155.33, 151.77, 151.75, 134.68, 134.40, 133.01, 132.22, 130.30, 128.26, 127.63, 127.27, 126.84, 126.02, 125.92, 125.61, 120.73, 34.66, 31.58, 31.22, 31.11 | null | [(162.46, None, None), (155.33, None, None), (151.77, None, None), (151.75, None, None), (134.68, None, None), (134.4, None, None), (133.01, None, None), (132.22, None, None), (130.3, None, None), (128.26, None, None), (127.63, None, None), (127.27, None, None), (126.84, None, None), (126.02, None, None), (125.92, None... | 31 | 23 | 21 |
10.1002_ejoc.202401100 | CCCC=C(CCC)c1nc2ccccc2c(=O)n1C | 22 | 22 | [0.15105939 0.47734378 0.31868836 0.58515629] | [0.14802163 0.60156254 0.84946742 0.78281256] | 1H NMR | 400 MHz | CDCl3 | 8.30 (tt, J = 8.0, 1.1 Hz, 1H), 7.84-7.66 (m, 2H), 7.47 (dd, J = 8.1, 4.0 Hz, 1H), 5.79 (t, J = 7.3 Hz, 1H), 3.57 (d, J = 5.4 Hz, 3H), 2.51-2.32 (m, 2H), 2.26 (q, J = 7.4 Hz, 2H), 1.64-1.39 (m, 4H), 1.05-0.83 (m, 6H) | null | [('tt', ['8.0Hz', '1.1Hz'], '1H', 8.3, 8.3), ('m', [], '2H', 7.84, 7.66), ('dd', ['8.1Hz', '4.0Hz'], '1H', 7.47, 7.47), ('t', ['7.3Hz'], '1H', 5.79, 5.79), ('d', ['5.4Hz'], '3H', 3.57, 3.57), ('m', [], '2H', 2.51, 2.32), ('q', ['7.4Hz'], '2H', 2.26, 2.26), ('m', [], '4H', 1.64, 1.39), ('m', [], '6H', 1.05, 0.83)] | 22 | 12 | 22 |
10.1002_ejoc.202401100 | CCCC=C(CCC)c1nc2ccccc2c(=O)n1C | 22 | 22 | [0.15105939 0.47734378 0.31868836 0.58515629] | [0.14802163 0.60156254 0.84946742 0.78281256] | 13C NMR | 151 MHz | CDCl3 | 162.75, 158.02, 134.11, 131.70, 127.28, 127.19, 126.65, 126.57, 126.53, 120.37, 33.17, 32.29, 30.00, 22.35, 21.55, 14.26, 14.02 | null | [(162.75, None, None), (158.02, None, None), (134.11, None, None), (131.7, None, None), (127.28, None, None), (127.19, None, None), (126.65, None, None), (126.57, None, None), (126.53, None, None), (120.37, None, None), (33.17, None, None), (32.29, None, None), (30.0, None, None), (22.35, None, None), (21.55, None, Non... | 17 | 17 | 17 |
10.1021_ol3028972 | C(#CCCCC(C#N)C(=O)c1ccc(C#N)cc1)[Si](C)(C)C | 2 | 2 | [0.37964156 0.11914063 0.61521144 0.196875 ] | [0.10514707 0.21289064 0.89172802 0.32460939] | 1H NMR | 400 MHz | CDCl3 | 8.07 (d, J = 8.4 Hz, 2H), 7.82 (d, J = 8.4 Hz, 2H), 4.40 (dd, J = 8.8, 5.6 Hz, 1H), 2.34 (td, J = 6.8, 2.0 Hz, 2H), 2.20-2.04 (m, 2H), 1.82-1.71 (m, 2H), 0.10 (s, 9H) | null | [('d', ['8.4Hz'], '2H', 8.07, 8.07), ('d', ['8.4Hz'], '2H', 7.82, 7.82), ('dd', ['8.8Hz', '5.6Hz'], '1H', 4.4, 4.4), ('td', ['6.8Hz', '2.0Hz'], '2H', 2.34, 2.34), ('m', [], '2H', 2.2, 2.04), ('m', [], '2H', 1.82, 1.71), ('s', [], '9H', 0.1, 0.1)] | 20 | 7 | 20 |
10.1021_ol3028972 | C(#CCCCC(C#N)C(=O)c1ccc(C#N)cc1)[Si](C)(C)C | 2 | 2 | [0.37964156 0.11914063 0.61521144 0.196875 ] | [0.10514707 0.21289064 0.89172802 0.32460939] | 13C NMR | 100 MHz | CDCl3 | 189.5 (CO), 136.8 (C), 132.8 (CH), 129.1 (CH), 117.6 (C), 117.3 (CN), 116.3 (CN), 105.1 (C), 86.3 (C), 39.8 (CH), 28.3 (CH2), 25.3 (CH2), 19.0 (CH2), 0.0 (3 x CH3) | null | [(189.5, None, None), (136.8, None, None), (132.8, None, None), (129.1, None, None), (117.6, None, None), (117.3, None, None), (116.3, None, None), (105.1, None, None), (86.3, None, None), (39.8, None, None), (28.3, None, None), (25.3, None, None), (19.0, None, None), (0.0, None, None)] | 18 | 14 | 14 |
10.1021_ol3028972 | C(#CCCCC(C#N)C(=O)c1ccc(C(=O)OC)cc1)[Si](C)(C)C | 2 | 2 | [0.36801472 0.5929688 0.62886032 0.66953131] | [0.10413604 0.6867188 0.89172802 0.80078133] | 1H NMR | 400 MHz | CDCl3 | 8.18 (d, J = 8.4 Hz, 2H), 8.04 (d, J = 8.4 Hz, 2H), 4.46 (dd, J = 9.6, 5.6 Hz, 1H), 3.96 (s, 3H), 2.36 (td, J = 6.8, 2.8 Hz, 2H), 2.23-2.06 (m, 2H), 1.85-1.76 (m, 2H), 0.12 (s, 9H) | null | [('d', ['8.4Hz'], '2H', 8.18, 8.18), ('d', ['8.4Hz'], '2H', 8.04, 8.04), ('dd', ['9.6Hz', '5.6Hz'], '1H', 4.46, 4.46), ('s', [], '3H', 3.96, 3.96), ('td', ['6.8Hz', '2.8Hz'], '2H', 2.36, 2.36), ('m', [], '2H', 2.23, 2.06), ('m', [], '2H', 1.85, 1.76), ('s', [], '9H', 0.12, 0.12)] | 23 | 8 | 23 |
10.1021_ol3028972 | C(#CCCCC(C#N)C(=O)c1ccc(OC)cc1)[Si](C)(C)C | 2 | 3 | [0.37509193 0.82890628 0.62077212 0.90703128] | [0.10514707 0.07236329 0.89375006 0.18564454] | 1H NMR | 400 MHz | CDCl3 | 7.97 (d, J = 9.2 Hz, 2H), 6.98 (d, J = 9.2 Hz, 2H), 4.38 (dd, J = 8.8, 6.0 Hz, 1H), 3.90 (s, 3H), 2.34 (td, J = 6.8, 2.0 Hz, 2H), 2.23-2.10 (m, 2H), 1.87-1.76 (m, 2H), 0.12 (s, 9H) | null | [('d', ['9.2Hz'], '2H', 7.97, 7.97), ('d', ['9.2Hz'], '2H', 6.98, 6.98), ('dd', ['8.8Hz', '6.0Hz'], '1H', 4.38, 4.38), ('s', [], '3H', 3.9, 3.9), ('td', ['6.8Hz', '2.0Hz'], '2H', 2.34, 2.34), ('m', [], '2H', 2.23, 2.1), ('m', [], '2H', 1.87, 1.76), ('s', [], '9H', 0.12, 0.12)] | 23 | 8 | 23 |
10.1021_ol3028972 | C(#CCCCC(C#N)C(=O)c1ccc(OC)cc1)[Si](C)(C)C | 2 | 3 | [0.37509193 0.82890628 0.62077212 0.90703128] | [0.10514707 0.07236329 0.89375006 0.18564454] | 13C NMR | 100 MHz | CDCl3 | 188.8 (CO), 164.6 (C), 131.2 (CH), 126.8 (C), 117.4 (CN), 114.3 (CH), 105.4 (C), 86.0 (C), 55.6 (OCH3), 39.1 (CH), 28.9 (CH2), 25.6 (CH2), 19.1 (CH2), 0.03 (3 x CH3) | null | [(188.8, None, None), (164.6, None, None), (131.2, None, None), (126.8, None, None), (117.4, None, None), (114.3, None, None), (105.4, None, None), (86.0, None, None), (55.6, None, None), (39.1, None, None), (28.9, None, None), (25.6, None, None), (19.1, None, None), (0.03, None, None)] | 18 | 14 | 14 |
10.1021_ol3028972 | N#CC(CCCC#Cc1ccccc1)C(=O)c1ccccc1 | 4 | 4 | [0.60813425 0.11953126 0.82348349 0.21757814] | [0.10464155 0.23476564 0.88768384 0.44414066] | 13C NMR | 100 MHz | CDCl3 | 190.6 (CO), 134.3 (CH), 133.6 (C), 131.6 (CH), 129.2 (CH), 128.8 (CH), 128.3 (CH), 127.9 (CH), 123.2 (C), 117.0 (CN), 88.2 (C), 81.8(C), 39.4 (CH), 28.7 (CH2), 25.5 (CH2), 18.4 (CH2) | null | [(190.6, None, None), (134.3, None, None), (133.6, None, None), (131.6, None, None), (129.2, None, None), (128.8, None, None), (128.3, None, None), (127.9, None, None), (123.2, None, None), (117.0, None, None), (88.2, None, None), (81.8, None, None), (39.4, None, None), (28.7, None, None), (25.5, None, None), (18.4, No... | 20 | 16 | 16 |
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