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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1002_anie.201007307 | FC/C=C/c1ccc(CCl)cc1 | 14 | 14 | [0.15339747 0.78203128 0.34189669 0.82265626] | [0.15035715 0.84062503 0.84797009 0.90781256] | 1H NMR | 400MHz | CD2Cl2 | 4.64 (s, 2H), 5.04 (ddd, J = 1, 6, 47Hz, 2H), 6.44 (ddt, J = 6, 12, 16Hz, 1H), 6.73 (dd, J = 5, 16Hz, 1H), 7.39-7.48 (m, 4H) | null | [('s', [], '2H', 4.64, 4.64), ('ddd', ['1Hz', '6Hz', '47Hz'], '2H', 5.04, 5.04), ('ddt', ['6Hz', '12Hz', '16Hz'], '1H', 6.44, 6.44), ('dd', ['5Hz', '16Hz'], '1H', 6.73, 6.73), ('m', [], '4H', 7.48, 7.39)] | 10 | 6 | 10 |
10.1002_adsc.201800409 | CC1(C)OB(C(=Cc2ccc(Br)cc2)c2ccc(Br)cc2)OC1(C)C | 6 | 6 | [0.1187487 0.51367191 0.2010443 0.58164065] | [0.11543478 0.46914064 0.87376946 0.50507817] | 1H NMR | 300 MHz | CDCl3 | 7.41 (d, JH-H = 8.3 Hz, 2H, Ph), 7.33 (s, 1H, =CH), 7.30 (d, JH-H = 8.5 Hz, 2H, Ph), 7.05 (d, JH-H = 8.3 Hz, 2H, Ph), 6.94 (d, JH-H = 8.3 Hz, 2H, Ph), 1.33 (s, 12H, CCH3) | null | [('d', ['8.3Hz'], '2H', 7.41, 7.41), ('s', [], '1H', 7.33, 7.33), ('d', ['8.5Hz'], '2H', 7.3, 7.3), ('d', ['8.3Hz'], '2H', 7.05, 7.05), ('d', ['8.3Hz'], '2H', 6.94, 6.94), ('s', [], '12H', 1.33, 1.33)] | 21 | 6 | 21 |
10.1039_c4cc00753k | CCC(Cl)C(=O)N(c1ccccc1)c1ccccc1 | 2 | 2 | [0.1228911 0.21210938 0.2573809 0.29140626] | [0.11433013 0.20742189 0.88150191 0.51484379] | 1H NMR | 600 MHz | CDCl3 | 7.52-7.12 (m, 10H), 4.21 (t, J = 7.2 Hz, 1H), 2.17 (m, 1H), 1.94 (m, 1H), 0.98 (t, J = 7.4 Hz, 3H) | null | [('m', [], '10H', 7.52, 7.12), ('t', ['7.2Hz'], '1H', 4.21, 4.21), ('m', [], '1H', 2.17, 2.17), ('m', [], '1H', 1.94, 1.94), ('t', ['7.4Hz'], '3H', 0.98, 0.98)] | 16 | 6 | 16 |
10.1039_c4cc00753k | CCC(Cl)C(=O)N(c1ccccc1)c1ccccc1 | 2 | 2 | [0.1228911 0.21210938 0.2573809 0.29140626] | [0.11433013 0.20742189 0.88150191 0.51484379] | 13C NMR | 151 MHz | CDCl3 | 169.0, 142.1 (br), 141.8 (br), 130.0 (br), 128.9 (br), 128.6 (br), 128.4 (br), 126.5 (br), 126.1 (br), 56.4, 28.3, 10.9 | null | [(169.0, None, None), (142.1, None, None), (141.8, None, None), (130.0, None, None), (128.9, None, None), (128.6, None, None), (128.4, None, None), (126.5, None, None), (126.1, None, None), (56.4, None, None), (28.3, None, None), (10.9, None, None)] | 16 | 8 | 12 |
10.1039_c4cc00753k | O=C(C(Cl)Cc1ccccc1)N(c1ccccc1)c1ccccc1 | 2 | 2 | [0.1228911 0.5886719 0.29190087 0.66757818] | [0.30819428 0.57890628 0.88039733 0.68203126] | 1H NMR | 600 MHz | CDCl3 | 7.38-7.23 (m, 8H), 7.18-7.15 (m, 3H), 7.06 (d, J = 7.8 Hz, 2H), 6.83 (br s, 2H), 4.44 (dd, J = 10.2, 5.2 Hz, 1H), 3.54 (dd, J = 13.1, 10.2 Hz, 1H), 3.10 (dd, J = 13.1, 5.2 Hz, 1H) | null | [('m', [], '8H', 7.38, 7.23), ('m', [], '3H', 7.18, 7.15), ('d', ['7.8Hz'], '2H', 7.06, 7.06), ('brs', [], '2H', 6.83, 6.83), ('dd', ['10.2Hz', '5.2Hz'], '1H', 4.44, 4.44), ('dd', ['13.1Hz', '10.2Hz'], '1H', 3.54, 3.54), ('dd', ['13.1Hz', '5.2Hz'], '1H', 3.1, 3.1)] | 18 | 8 | 18 |
10.1039_c4cc00753k | O=C(C(Cl)Cc1ccccc1)N(c1ccccc1)c1ccccc1 | 2 | 2 | [0.1228911 0.5886719 0.29190087 0.66757818] | [0.30819428 0.57890628 0.88039733 0.68203126] | 13C NMR | 151 MHz | CDCl3 | 168.4, 142.0 (br), 141.5 (br), 136.3, 129.8, 128.9 (br), 128.9 (br), 128.6, 128.4 (br), 128.4 (br), 127.4, 126.5 (br), 126.1 (br), 54.6, 41.4 | null | [(168.4, None, None), (142.0, None, None), (141.5, None, None), (136.3, None, None), (129.8, None, None), (128.9, None, None), (128.9, None, None), (128.6, None, None), (128.4, None, None), (128.4, None, None), (127.4, None, None), (126.5, None, None), (126.1, None, None), (54.6, None, None), (41.4, None, None)] | 21 | 11 | 15 |
10.1039_c4cc00753k | CC(=O)c1ccc(NC(=O)C(C)Cl)cc1 | 3 | 3 | [0.12454805 0.53750001 0.28113062 0.60468754] | [0.11488246 0.5339844 0.88150191 0.68320318] | 1H NMR | 600 MHz | CDCl3 | 8.41 (br s, 1H), 7.96 (d, J = 8.8 Hz, 2H), 7.66 (d, J = 8.8 Hz, 2H), 4.55 (q, J = 7.1 Hz, 1H), 2.57 (s, 3H), 1.83 (d, J = 7.1 Hz, 3H) | null | [('brs', [], '1H', 8.41, 8.41), ('d', ['8.8Hz'], '2H', 7.96, 7.96), ('d', ['8.8Hz'], '2H', 7.66, 7.66), ('q', ['7.1Hz'], '1H', 4.55, 4.55), ('s', [], '3H', 2.57, 2.57), ('d', ['7.1Hz'], '3H', 1.83, 1.83)] | 12 | 6 | 12 |
10.1039_c4cc00753k | CC(=O)c1ccc(NC(=O)C(C)Cl)cc1 | 3 | 3 | [0.12454805 0.53750001 0.28113062 0.60468754] | [0.11488246 0.5339844 0.88150191 0.68320318] | 13C NMR | 151 MHz | CDCl3 | 196.8, 167.6, 141.1, 133.6, 129.7, 119.2, 56.1, 26.5, 22.6 | null | [(196.8, None, None), (167.6, None, None), (141.1, None, None), (133.6, None, None), (129.7, None, None), (119.2, None, None), (56.1, None, None), (26.5, None, None), (22.6, None, None)] | 11 | 9 | 9 |
10.1039_c4cc00753k | C(c1ccc(NC(=O)C(C)Cl)cc1)(F)(F)F | 3 | 3 | [0.12924276 0.74765631 0.28168296 0.80312501] | [0.11433013 0.74765631 0.88094957 0.91953131] | 1H NMR | 600 MHz | CDCl3 | 8.41 (s, 1H), 7.68 (d, J = 8.2 Hz, 2H), 7.60 (d, J = 8.1 Hz, 2H), 4.56 (q, J = 6.8 Hz, 1H), 1.83 (d, J = 6.8 Hz, 3H) | null | [('s', [], '1H', 8.41, 8.41), ('d', ['8.2Hz'], '2H', 7.68, 7.68), ('d', ['8.1Hz'], '2H', 7.6, 7.6), ('q', ['6.8Hz'], '1H', 4.56, 4.56), ('d', ['6.8Hz'], '3H', 1.83, 1.83)] | 9 | 5 | 9 |
10.1039_c4cc00753k | C(c1ccc(NC(=O)C(C)Cl)cc1)(F)(F)F | 3 | 3 | [0.12924276 0.74765631 0.28168296 0.80312501] | [0.11433013 0.74765631 0.88094957 0.91953131] | 13C NMR | 151 MHz | CDCl3 | 167.7, 140.0, 126.8 (q, J = 32.9 Hz), 126.3 (q, J = 3.6 Hz), 123.9 (q, J = 272.8 Hz), 119,6, 56.0, 22.5 | null | [(167.7, None, None), (140.0, None, None), (126.8, 'q', 32.9), (126.3, 'q', 3.6), (123.9, 'q', 272.8), (119.0, None, None), (6.0, None, None), (56.0, None, None), (22.5, None, None)] | 10 | 8 | 9 |
10.1039_c4cc00753k | COC(=O)CC(=O)N(c1ccccc1)c1ccccc1 | 4 | 4 | [0.12261493 0.18701174 0.27339817 0.26601564] | [0.11267318 0.18330079 0.88150191 0.3777344 ] | 1H NMR | 400 MHz | CDCl3 | 7.54-7.10 (m, 10H), 3.68 (s, 3H), 3.40 (s, 2H) | null | [('m', [], '10H', 7.54, 7.1), ('s', [], '3H', 3.68, 3.68), ('s', [], '2H', 3.4, 3.4)] | 15 | 5 | 15 |
10.1039_c4cc00753k | COC(=O)CC(=O)N(c1ccccc1)c1ccccc1 | 4 | 4 | [0.12261493 0.18701174 0.27339817 0.26601564] | [0.11267318 0.18330079 0.88150191 0.3777344 ] | 13C NMR | 101 MHz | CDCl3 | 167.9, 165.9, 142.4 (br), 142.2 (br), 129.9 (br), 128.9 (br), 128.6 (br), 128.4 (br), 126.4 (br), 126.2 (br), 52.3, 42.5 | null | [(167.9, None, None), (165.9, None, None), (142.4, None, None), (142.2, None, None), (129.9, None, None), (128.9, None, None), (128.6, None, None), (128.4, None, None), (126.4, None, None), (126.2, None, None), (52.3, None, None), (42.5, None, None)] | 16 | 8 | 12 |
10.1039_c4cc00753k | c1(C(=O)CBr)ccccc1 | 5 | 4 | [0.15782529 0.1241211 0.22962684 0.15439453] | [0.11267318 0.44218753 0.88150191 0.72656257] | 1H NMR | 600 MHz | CDCl3 | 7.51-7.15 (m, 3H), 5.02 (s, 1H), 3.83 (s, 3H) | null | [('m', [], '3H', 7.51, 7.15), ('s', [], '1H', 5.02, 5.02), ('s', [], '3H', 3.83, 3.83)] | 7 | 4 | 7 |
10.1039_c4cc00753k | CC(CC(c1ccccc1)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1 | 8 | 8 | [0.11902486 0.72421881 0.32945857 0.81171879] | [0.34464739 0.71796879 0.88150191 0.82187506] | 1H NMR | 600 MHz | CDCl3 | 7.39-7.02 (m, 18H), 6.76 (br s, 2H), 4.12 (dd, J = 9.6, 6.7 Hz, 1H), 2.64-2.56 (m, 1H), 2.51 (m, 1H), 2.09 (m, 1H), 1.13 (d, J = 6.8 Hz, 3H) | null | [('m', [], '18H', 7.39, 7.02), ('brs', [], '2H', 6.76, 6.76), ('dd', ['9.6Hz', '6.7Hz'], '1H', 4.12, 4.12), ('m', [], '1H', 2.64, 2.56), ('m', [], '1H', 2.51, 2.51), ('m', [], '1H', 2.09, 2.09), ('d', ['6.8Hz'], '3H', 1.13, 1.13)] | 27 | 10 | 27 |
10.1039_c4cc00753k | CC(CC(c1ccccc1)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1 | 8 | 8 | [0.11902486 0.72421881 0.32945857 0.81171879] | [0.34464739 0.71796879 0.88150191 0.82187506] | 13C NMR | 151 MHz | CDCl3 | 176.4, 144.9, 143.7, 142.9 (br), 142.3 (br), 129.4 (br), 128.8 (br), 128.7, 128.5 (br), 128.4, 128.2, 127.6, 127.4 (br), 126.5 (br), 126.3, 126.0, 125.9 (br), 48.6, 39.9, 35.6, 18.4 | null | [(176.4, None, None), (144.9, None, None), (143.7, None, None), (142.9, None, None), (142.3, None, None), (129.4, None, None), (128.8, None, None), (128.7, None, None), (128.5, None, None), (128.4, None, None), (128.2, None, None), (127.6, None, None), (127.4, None, None), (126.5, None, None), (126.3, None, None), (126... | 29 | 13 | 21 |
10.1039_c4cc00753k | O=C(CCC(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 | 9 | 9 | [0.11902486 0.19101563 0.32945857 0.27890627] | [0.11377782 0.18583985 0.88150191 0.35820315] | 1H NMR | 600 MHz | CDCl3 | 7.45-6.91 (m, 20H), 3.99 (t, J = 8.0 Hz, 1H), 2.43 (td, J = 8.0, 7.2 Hz, 2H), 2.27 (t, J = 7.2 Hz, 2H) | null | [('m', [], '20H', 7.45, 6.91), ('t', ['8.0Hz'], '1H', 3.99, 3.99), ('td', ['8.0Hz', '7.2Hz'], '2H', 2.43, 2.43), ('t', ['7.2Hz'], '2H', 2.27, 2.27)] | 25 | 9 | 25 |
10.1039_c4cc00753k | O=C(CCC(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 | 9 | 9 | [0.11902486 0.19101563 0.32945857 0.27890627] | [0.11377782 0.18583985 0.88150191 0.35820315] | 13C NMR | 151 MHz | CDCl3 | 172.8, 144.2, 142.8, 129.6 (br), 129.0 (br), 128.4, 127.9, 126.4 (br), 126.2, 50.2, 33.6, 31.2 | null | [(172.8, None, None), (144.2, None, None), (142.8, None, None), (129.6, None, None), (129.0, None, None), (128.4, None, None), (127.9, None, None), (126.4, None, None), (126.2, None, None), (50.2, None, None), (33.6, None, None), (31.2, None, None)] | 28 | 12 | 12 |
10.1039_c4cc00753k | O=C(CC(Cc1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 | 9 | 9 | [0.1187487 0.42734377 0.2874823 0.54140626] | [0.11764406 0.42421876 0.88150191 0.61796878] | 1H NMR | 600 MHz | CDCl3 | 7.40-7.07 (m, 3H), 7.04-7.00 (m, 2H), 6.94 (d, J = 7.4 Hz, 15H), 3.60-3.53 (m, 1H), 2.89 (m, 2H), 2.60-2.57 (m, 2H) | null | [('m', [], '3H', 7.4, 7.07), ('m', [], '2H', 7.04, 7.0), ('d', ['7.4Hz'], '15H', 6.94, 6.94), ('m', [], '1H', 3.6, 3.53), ('m', [], '2H', 2.89, 2.89), ('m', [], '2H', 2.6, 2.57)] | 25 | 12 | 25 |
10.1039_c4cc00753k | O=C(CC(Cc1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 | 9 | 9 | [0.1187487 0.42734377 0.2874823 0.54140626] | [0.11764406 0.42421876 0.88150191 0.61796878] | 13C NMR | 151 MHz | CDCl3 | 171.8, 143.6, 142.8, 139.8, 129.6 (br), 129.1, 128.7 (br), 128.2, 128.1, 127.9, 126.5, 126.4 (br), 126.0, 44.6, 42.4, 40.9 | null | [(171.8, None, None), (143.6, None, None), (142.8, None, None), (139.8, None, None), (129.6, None, None), (129.1, None, None), (128.7, None, None), (128.2, None, None), (128.1, None, None), (127.9, None, None), (126.5, None, None), (126.4, None, None), (126.0, None, None), (44.6, None, None), (42.4, None, None), (40.9,... | 28 | 16 | 16 |
10.1039_c4cc00753k | Cc1ccc(C(CCC(=O)N(c2ccccc2)c2ccccc2)c2ccccc2)cc1 | 10 | 10 | [0.1187487 0.36425785 0.34989441 0.45312504] | [0.36591168 0.35820315 0.88039733 0.46132814] | 1H NMR | 600 MHz | CDCl3 | 7.55-7.28 (m, 19H), 4.14 (t, J = 7.8 Hz, 1H), 2.60 (dt, J = 7.8, 7.2 Hz, 2H), 2.51 (s, 3H), 2.44 (t, J = 7.2 Hz, 2H) | null | [('m', [], '19H', 7.55, 7.28), ('t', ['7.8Hz'], '1H', 4.14, 4.14), ('dt', ['7.8Hz', '7.2Hz'], '2H', 2.6, 2.6), ('s', [], '3H', 2.51, 2.51), ('t', ['7.2Hz'], '2H', 2.44, 2.44)] | 27 | 12 | 27 |
10.1039_c4cc00753k | c1(-c2ccc(C(CCC(=O)N(c3ccccc3)c3ccccc3)c3ccccc3)cc2)ccccc1 | 11 | 11 | [0.12510037 0.13320313 0.36922559 0.22539064] | [0.38441438 0.11933594 0.88039733 0.22343751] | 1H NMR | 600 MHz | CDCl3 | 7.55 (ddd, J = 7.9, 5.0, 3.1 Hz, 2H), 7.49-7.45 (m, 2H), 7.45-7.40 (m, 2H), 7.36-6.99 (m, 18H), 4.03 (t, J = 8.0 Hz, 1H), 2.45 (m, 2H), 2.27 (t, J = 7.3 Hz, 2H) | null | [('ddd', ['7.9Hz', '5.0Hz', '3.1Hz'], '2H', 7.55, 7.55), ('m', [], '2H', 7.49, 7.45), ('m', [], '2H', 7.45, 7.4), ('m', [], '18H', 7.36, 6.99), ('t', ['8.0Hz'], '1H', 4.03, 4.03), ('m', [], '2H', 2.45, 2.45), ('t', ['7.3Hz'], '2H', 2.27, 2.27)] | 29 | 14 | 29 |
10.1039_c4cc00753k | c1(-c2ccc(C(CCC(=O)N(c3ccccc3)c3ccccc3)c3ccccc3)cc2)ccccc1 | 11 | 11 | [0.12510037 0.13320313 0.36922559 0.22539064] | [0.38441438 0.11933594 0.88039733 0.22343751] | 13C NMR | 151 MHz | CDCl3 | 172.7, 144.2, 143.3, 142.7, 140.9, 139.1, 129.5 (br), 128.9 (br), 128.7, 128.5, 128.3, 127.9, 127.2, 127.1, 127.0, 126.3 (br), 126.3, 49.9, 33.5, 31.2 | null | [(172.7, None, None), (144.2, None, None), (143.3, None, None), (142.7, None, None), (140.9, None, None), (139.1, None, None), (129.5, None, None), (128.9, None, None), (128.7, None, None), (128.5, None, None), (128.3, None, None), (127.9, None, None), (127.2, None, None), (127.1, None, None), (127.0, None, None), (126... | 34 | 20 | 20 |
10.1039_c4cc00753k | O=C(CCC(c1ccccc1)c1ccc(F)cc1)N(c1ccccc1)c1ccccc1 | 11 | 11 | [0.12592885 0.40390627 0.36066463 0.49609379] | [0.37612959 0.40390627 0.87874031 0.50703129] | 1H NMR | 600 MHz | CDCl3 | 7.35-7.07 (m, 17H), 6.95-6.88 (m, 2H), 3.97 (m, 1H), 2.42-2.34 (m, 2H), 2.22 (m, 2H) | null | [('m', [], '17H', 7.35, 7.07), ('m', [], '2H', 6.95, 6.88), ('m', [], '1H', 3.97, 3.97), ('m', [], '2H', 2.42, 2.34), ('m', [], '2H', 2.22, 2.22)] | 24 | 11 | 24 |
10.1039_c4cc00753k | O=C(CCC(c1ccccc1)c1ccc(F)cc1)N(c1ccccc1)c1ccccc1 | 11 | 11 | [0.12592885 0.40390627 0.36066463 0.49609379] | [0.37612959 0.40390627 0.87874031 0.50703129] | 19F NMR | 594 MHz | CDCl3 | -117.2 | null | [(-117.2, None, None)] | 1 | 1 | 1 |
10.1039_c4cc00753k | O(c1ccc(C(CCC(=O)N(c2ccccc2)c2ccccc2)c2ccccc2)cc1)C | 12 | 12 | [0.12537652 0.64179692 0.35735072 0.72382817] | [0.11653942 0.64140628 0.88205425 0.81328128] | 1H NMR | 600 MHz | CDCl3 | 7.37-6.99 (m, 17H), 6.82-6.75 (m, 2H), 3.95-3.88 (m, 1H), 3.76 (s, 3H), 2.41-2.34 (m, 2H), 2.27-2.19 (m, 2H) | null | [('m', [], '17H', 7.37, 6.99), ('m', [], '2H', 6.82, 6.75), ('m', [], '1H', 3.95, 3.88), ('s', [], '3H', 3.76, 3.76), ('m', [], '2H', 2.41, 2.34), ('m', [], '2H', 2.27, 2.19)] | 27 | 12 | 27 |
10.1039_c4cc00753k | O(c1ccc(C(CCC(=O)N(c2ccccc2)c2ccccc2)c2ccccc2)cc1)C | 12 | 12 | [0.12537652 0.64179692 0.35735072 0.72382817] | [0.11653942 0.64140628 0.88205425 0.81328128] | 13C NMR | 151 MHz | CDCl3 | 172.8, 157.9, 144.6, 142.7, 136.4, 129.5 (br), 128.8, 128.6 (br), 128.4, 127.8, 126.4 (br), 126.1, 113.8, 55.2, 49.4, 33.6, 31.4 | null | [(172.8, None, None), (157.9, None, None), (144.6, None, None), (142.7, None, None), (136.4, None, None), (129.5, None, None), (128.8, None, None), (128.6, None, None), (128.4, None, None), (127.8, None, None), (126.4, None, None), (126.1, None, None), (113.8, None, None), (55.2, None, None), (49.4, None, None), (33.6,... | 29 | 17 | 17 |
10.1039_c4cc00753k | O=C(CCC(c1ccccc1)c1ccccn1)N(c1ccccc1)c1ccccc1 | 13 | 13 | [0.12537652 0.11953126 0.31399364 0.19804689] | [0.11653942 0.11953126 0.88205425 0.29140626] | 1H NMR | 600 MHz | CDCl3 | 8.50 (d, J = 3.9 Hz, 1H), 7.52 (td, J = 7.7, 1.8 Hz, 1H), 7.36-7.02 (m, 17H), 4.14 (t, J = 7.9 Hz, 1H), 2.57 (m, 1H), 2.46 (m, 1H), 2.27-2.18 (m, 2H) | null | [('d', ['3.9Hz'], '1H', 8.5, 8.5), ('td', ['7.7Hz', '1.8Hz'], '1H', 7.52, 7.52), ('m', [], '17H', 7.36, 7.02), ('t', ['7.9Hz'], '1H', 4.14, 4.14), ('m', [], '1H', 2.57, 2.57), ('m', [], '1H', 2.46, 2.46), ('m', [], '2H', 2.27, 2.18)] | 24 | 13 | 24 |
10.1039_c4cc00753k | O=C(CCC(c1ccccc1)c1ccccn1)N(c1ccccc1)c1ccccc1 | 13 | 13 | [0.12537652 0.11953126 0.31399364 0.19804689] | [0.11653942 0.11953126 0.88205425 0.29140626] | 13C NMR | 151 MHz | CDCl3 | 172.8, 163.2, 149.1, 143.2, 142.7, 136.4, 129.4 (br), 128.9 (br), 128.5, 128.0, 126.42, 126.3 (br), 122.8, 121.3, 52.4, 33.3, 30.6 | null | [(172.8, None, None), (163.2, None, None), (149.1, None, None), (143.2, None, None), (142.7, None, None), (136.4, None, None), (129.4, None, None), (128.9, None, None), (128.5, None, None), (128.0, None, None), (126.42, None, None), (126.3, None, None), (122.8, None, None), (121.3, None, None), (52.4, None, None), (33.... | 27 | 17 | 17 |
10.1039_c4cc00753k | O=C(CCC(c1ccccc1)c1cccs1)N(c1ccccc1)c1ccccc1 | 13 | 13 | [0.12565269 0.35781251 0.33608642 0.44531254] | [0.35044673 0.35859376 0.88039733 0.46093754] | 1H NMR | 400 MHz | CDCl3 | 7.34-7.05 (m, 16H), 6.87 (dd, J = 5.1, 3.5 Hz, 1H), 6.76 (dt, J = 3.5, 1.0 Hz, 1H), 4.22 (t, J = 7.9 Hz, 1H), 2.52-2.31 (m, 2H), 2.23 (t, J = 7.2 Hz, 2H) | null | [('m', [], '16H', 7.34, 7.05), ('dd', ['5.1Hz', '3.5Hz'], '1H', 6.87, 6.87), ('dt', ['3.5Hz', '1.0Hz'], '1H', 6.76, 6.76), ('t', ['7.9Hz'], '1H', 4.22, 4.22), ('m', [], '2H', 2.52, 2.31), ('t', ['7.2Hz'], '2H', 2.23, 2.23)] | 23 | 12 | 23 |
10.1039_c4cc00753k | O=C(CCC(c1ccccc1)c1cccs1)N(c1ccccc1)c1ccccc1 | 13 | 13 | [0.12565269 0.35781251 0.33608642 0.44531254] | [0.35044673 0.35859376 0.88039733 0.46093754] | 13C NMR | 101 MHz | CDCl3 | 172.5, 148.6, 143.8, 142.7, 129.2 (br), 128.5, 128.3 (br), 127.7, 126.7 (br), 126.6, 126.5, 123.9, 123.6, 45.7, 33.3, 32.8 | null | [(172.5, None, None), (148.6, None, None), (143.8, None, None), (142.7, None, None), (129.2, None, None), (128.5, None, None), (128.3, None, None), (127.7, None, None), (126.7, None, None), (126.6, None, None), (126.5, None, None), (123.9, None, None), (123.6, None, None), (45.7, None, None), (33.3, None, None), (32.8,... | 26 | 16 | 16 |
10.1039_c4cc00753k | COC1C=C(C(CCC(N(C2C=CC=CC=2)C2C=CC=CC=2)=O)OC(C)=O)C=CC=1 | 13 | 13 | [0.12703349 0.85781251 0.35624609 0.91718754] | [0.37115871 0.85781251 0.87929265 0.91718754] | 1H NMR | 400 MHz | CDCl3 | 7.40-7.12 (m, 11H), 6.84 (d, J = 7.7 Hz, 1H), 6.79 (dd, J = 7.7, 1.3 Hz, 2H), 5.73 (dd, J = 7.7, 5.2 Hz, 1H), 3.77 (s, 3H), 2.29-2.11 (m, 4H), 1.98 (s, 3H) | null | [('m', [], '11H', 7.4, 7.12), ('d', ['7.7Hz'], '1H', 6.84, 6.84), ('dd', ['7.7Hz', '1.3Hz'], '2H', 6.79, 6.79), ('dd', ['7.7Hz', '5.2Hz'], '1H', 5.73, 5.73), ('s', [], '3H', 3.77, 3.77), ('m', [], '4H', 2.29, 2.11), ('s', [], '3H', 1.98, 1.98)] | 25 | 12 | 25 |
10.1039_c4cc00753k | COC1C=C(C(CCC(N(C2C=CC=CC=2)C2C=CC=CC=2)=O)OC(C)=O)C=CC=1 | 13 | 13 | [0.12703349 0.85781251 0.35624609 0.91718754] | [0.37115871 0.85781251 0.87929265 0.91718754] | 13C NMR | 101 MHz | CDCl3 | 171.9, 170.1, 159.6, 142.7, 141.8, 129.5, 129.1 (br), 128.8 (br), 126.4 (br), 118.6, 113.3, 111.9, 74.8, 55.2, 32.0, 31.3, 21.1 | null | [(171.9, None, None), (170.1, None, None), (159.6, None, None), (142.7, None, None), (141.8, None, None), (129.5, None, None), (129.1, None, None), (128.8, None, None), (126.4, None, None), (118.6, None, None), (113.3, None, None), (111.9, None, None), (74.8, None, None), (55.2, None, None), (32.0, None, None), (31.3, ... | 25 | 17 | 17 |
10.1039_c4cc00753k | CCC(CC(c1ccccc1)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1 | 14 | 14 | [0.12510037 0.53671877 0.33608642 0.62421879] | [0.35127521 0.53750001 0.88039733 0.640625 ] | 1H NMR | 600 MHz | CDCl3 | 7.42-7.00 (m, 18H), 6.75 (br s, 2H), 4.11 (dd, J = 9.4, 6.5 Hz, 1H), 2.49 (m, 2H), 2.22-2.16 (m, 1H), 1.70-1.62 (m, 1H), 1.53 (tt, J = 13.9, 6.9 Hz, 1H), 0.85 (t, J = 7.4 Hz, 3H) | null | [('m', [], '18H', 7.42, 7.0), ('brs', [], '2H', 6.75, 6.75), ('dd', ['9.4Hz', '6.5Hz'], '1H', 4.11, 4.11), ('m', [], '2H', 2.49, 2.49), ('m', [], '1H', 2.22, 2.16), ('m', [], '1H', 1.7, 1.62), ('tt', ['13.9Hz', '6.9Hz'], '1H', 1.53, 1.53), ('t', ['7.4Hz'], '3H', 0.85, 0.85)] | 29 | 11 | 29 |
10.1039_c4cc00753k | CCC(CC(c1ccccc1)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1 | 14 | 14 | [0.12510037 0.53671877 0.33608642 0.62421879] | [0.35127521 0.53750001 0.88039733 0.640625 ] | 13C NMR | 151 MHz | CDCl3 | 175.6, 145.1, 143.7, 143.0 (br), 142.3 (br), 129.3 (br), 128.8 (br), 128.7 (br), 128.7, 128.4, 128.2, 127.7, 127.3 (br), 126.5 (br), 126.3, 126.0, 125.9 (br), 48.6, 42.0, 37.5, 26.0, 11.6 | null | [(175.6, None, None), (145.1, None, None), (143.7, None, None), (143.0, None, None), (142.3, None, None), (129.3, None, None), (128.8, None, None), (128.7, None, None), (128.7, None, None), (128.4, None, None), (128.2, None, None), (127.7, None, None), (127.3, None, None), (126.5, None, None), (126.3, None, None), (126... | 30 | 14 | 22 |
10.1039_c4cc00753k | N(C(=O)C(Cc1ccccc1)CC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | 14 | 14 | [0.12730965 0.82031257 0.30543268 0.90781256] | [0.32200227 0.82109378 0.88094957 0.90234382] | 1H NMR | 600 MHz | CDCl3 | 7.36-7.11 (m, 16H), 7.10-7.03 (m, 5H), 6.80-6.77 (m, 2H), 6.46 (d, J = 7.5 Hz, 2H), 4.12 (dd, J = 9.1, 7.2 Hz, 1H), 3.07-2.99 (m, 1H), 2.85-2.79 (m, 1H), 2.71 (dd, J = 13.0, 7.5 Hz, 1H), 2.53-2.47 (m, 1H), 2.22-2.17 (m, 1H) | null | [('m', [], '16H', 7.36, 7.11), ('m', [], '5H', 7.1, 7.03), ('m', [], '2H', 6.8, 6.77), ('d', ['7.5Hz'], '2H', 6.46, 6.46), ('dd', ['9.1Hz', '7.2Hz'], '1H', 4.12, 4.12), ('m', [], '1H', 3.07, 2.99), ('m', [], '1H', 2.85, 2.79), ('dd', ['13.0Hz', '7.5Hz'], '1H', 2.71, 2.71), ('m', [], '1H', 2.53, 2.47), ('m', [], '1H', 2... | 31 | 13 | 31 |
10.1039_c4cc00753k | N(C(=O)C(Cc1ccccc1)CC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 | 14 | 14 | [0.12730965 0.82031257 0.30543268 0.90781256] | [0.32200227 0.82109378 0.88094957 0.90234382] | 13C NMR | 151 MHz | CDCl3 | 174.9, 144.8, 143.4, 142.8 (br), 142.0 (br), 139.3, 129.3, 129.2, 128.8, 128.6 (br), 128.6, 128.4, 128.3, 128.3, 127.8, 127.4, 126.5, 126.4, 126.3, 126.1, 126.1 (br), 48.5, 43.3, 38.8, 37.4 | null | [(174.9, None, None), (144.8, None, None), (143.4, None, None), (142.8, None, None), (142.0, None, None), (139.3, None, None), (129.3, None, None), (129.2, None, None), (128.8, None, None), (128.6, None, None), (128.6, None, None), (128.4, None, None), (128.3, None, None), (128.3, None, None), (127.8, None, None), (127... | 35 | 17 | 25 |
10.1039_c4cc00753k | c1ccc(C(c2ccccc2)CC(C(OC)=O)C(=O)N(c2ccccc2)c2ccccc2)cc1 | 15 | 15 | [0.12703349 0.28554689 0.27892136 0.34726565] | [0.11433013 0.27578126 0.88150191 0.46992192] | 1H NMR | 600 MHz | CDCl3 | 7.41-7.06 (m, 18H), 6.80 (br s, 2H), 4.18 (dd, J = 9.3, 7.1 Hz, 1H), 3.67 (s, 3H), 3.54 (dd, J = 8.5, 6.1 Hz, 1H), 2.69 (m, 2H) | null | [('m', [], '18H', 7.41, 7.06), ('brs', [], '2H', 6.8, 6.8), ('dd', ['9.3Hz', '7.1Hz'], '1H', 4.18, 4.18), ('s', [], '3H', 3.67, 3.67), ('dd', ['8.5Hz', '6.1Hz'], '1H', 3.54, 3.54), ('m', [], '2H', 2.69, 2.69)] | 27 | 10 | 27 |
10.1039_c4cc00753k | c1ccc(C(c2ccccc2)CC(C(OC)=O)C(=O)N(c2ccccc2)c2ccccc2)cc1 | 15 | 15 | [0.12703349 0.28554689 0.27892136 0.34726565] | [0.11433013 0.27578126 0.88150191 0.46992192] | 13C NMR | 151 MHz | CDCl3 | 170.5, 168.6, 144.1, 142.8, 142.5 (br), 141.8 (br), 129.5 (br), 128.9 (br), 128.8, 128.5 (br), 128.5 (br), 128.1, 127.9 (br), 127.7, 126.6, 126.3 (br), 126.3(br), 126.3, 52.4, 48.4, 48.4, 35.1 | null | [(170.5, None, None), (168.6, None, None), (144.1, None, None), (142.8, None, None), (142.5, None, None), (141.8, None, None), (129.5, None, None), (128.9, None, None), (128.8, None, None), (128.5, None, None), (128.5, None, None), (128.1, None, None), (127.9, None, None), (127.7, None, None), (126.6, None, None), (126... | 30 | 14 | 22 |
10.1039_c4cc00753k | CON(C)C(=O)CCC(c1ccccc1)c1ccccc1 | 15 | 15 | [0.12482421 0.53828129 0.31426979 0.625 ] | [0.11377782 0.53750001 0.88260659 0.70859381] | 1H NMR | 600 MHz | CDCl3 | 7.30-7.12 (m, 10H), 3.97 (dd, J = 8.9, 6.1 Hz, 1H), 3.48 (s, 3H), 3.12 (s, 3H), 2.46-2.30 (m, 4H) | null | [('m', [], '10H', 7.3, 7.12), ('dd', ['8.9Hz', '6.1Hz'], '1H', 3.97, 3.97), ('s', [], '3H', 3.48, 3.48), ('s', [], '3H', 3.12, 3.12), ('m', [], '4H', 2.46, 2.3)] | 21 | 8 | 21 |
10.1039_c4cc00753k | CON(C)C(=O)CCC(c1ccccc1)c1ccccc1 | 15 | 15 | [0.12482421 0.53828129 0.31426979 0.625 ] | [0.11377782 0.53750001 0.88260659 0.70859381] | 13C NMR | 151 MHz | CDCl3 | 174.2 (br), 144.4, 128.4, 127.9, 126.2, 61.0, 50.5, 32.1 (br), 30.4 (br), 30.2 | null | [(174.2, None, None), (144.4, None, None), (128.4, None, None), (127.9, None, None), (126.2, None, None), (61.0, None, None), (50.5, None, None), (32.1, None, None), (30.4, None, None), (30.2, None, None)] | 18 | 10 | 10 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 2 | 2 | [0.15050707 0.29179689 0.36701631 0.37929689] | [0.14912627 0.38984376 0.83621172 0.43125002] | 1H NMR | 400 MHz | CDCl3 | 7.36 (t, J = 6.5 Hz, 4H), 7.30 (d, J = 8.1 Hz, 2H), 7.27-7.13 (m, 11H), 6.79-6.74 (m, 2H), 6.66 (s, 1H), 3.51 (s, 2H), 2.40 (s, 3H) | null | [('t', ['6.5Hz'], '4H', 7.36, 7.36), ('d', ['8.1Hz'], '2H', 7.3, 7.3), ('m', [], '11H', 7.27, 7.13), ('m', [], '2H', 6.79, 6.74), ('s', [], '1H', 6.66, 6.66), ('s', [], '2H', 3.51, 3.51), ('s', [], '3H', 2.4, 2.4)] | 25 | 14 | 25 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 2 | 2 | [0.15050707 0.29179689 0.36701631 0.37929689] | [0.14912627 0.38984376 0.83621172 0.43125002] | 13C NMR | 100 MHz | CDCl3 | 143.91, 140.02, 135.22, 134.33, 133.88, 133.38, 133.23, 129.51, 129.42, 129.13, 128.98, 128.80, 128.33, 128.17, 127.98, 127.78, 127.30, 126.77, 33.53, 21.62 | null | [(143.91, None, None), (140.02, None, None), (135.22, None, None), (134.33, None, None), (133.88, None, None), (133.38, None, None), (133.23, None, None), (129.51, None, None), (129.42, None, None), (129.13, None, None), (128.98, None, None), (128.8, None, None), (128.33, None, None), (128.17, None, None), (127.98, Non... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 2 | 2 | [0.15078323 0.63984379 0.34299042 0.75390632] | [0.14912627 0.76992189 0.83731635 0.81093751] | 1H NMR | 400 MHz | CDCl3 | 7.45-7.43 (m, 2H), 7.36-7.23 (m, 10H), 7.20-7.09 (m, 5H), 6.97-6.95 (m, 2H), 6.71 (s, 1H), 3.61 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '2H', 7.45, 7.43), ('m', [], '10H', 7.36, 7.23), ('m', [], '5H', 7.2, 7.09), ('m', [], '2H', 6.97, 6.95), ('s', [], '1H', 6.71, 6.71), ('s', [], '2H', 3.61, 3.61), ('s', [], '3H', 2.4, 2.4)] | 25 | 14 | 25 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 2 | 2 | [0.15078323 0.63984379 0.34299042 0.75390632] | [0.14912627 0.76992189 0.83731635 0.81093751] | 13C NMR | 100 MHz | CDCl3 | 144.20, 139.46, 133.89, 133.39, 133.24, 131.46, 130.40, 129.73, 129.55, 129.31, 129.27, 128.85, 127.98, 127.81, 127.78, 127.65, 127.44, 127.19, 30.55, 21.65 | null | [(144.2, None, None), (139.46, None, None), (133.89, None, None), (133.39, None, None), (133.24, None, None), (131.46, None, None), (130.4, None, None), (129.73, None, None), (129.55, None, None), (129.31, None, None), (129.27, None, None), (128.85, None, None), (127.98, None, None), (127.81, None, None), (127.78, None... | 28 | 20 | 20 |
10.1039_d2ob00964a | c1(C)ccc(N(/C=C(/C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 | 3 | 3 | [0.15119747 0.20625001 0.40540253 0.29843752] | [0.14912627 0.31601565 0.84725811 0.35742191] | 1H NMR | 400 MHz | CDCl3 | 7.41-7.28 (m, 6H), 7.24-7.13 (m, 8H), 6.97 (d, J = 8.1 Hz, 2H), 6.65 (d, J = 4.2 Hz, 2H), 6.64 (s, 1H), 3.50 (s, 2H), 2.40 (s, 3H), 2.29 (s, 3H) | null | [('m', [], '6H', 7.41, 7.28), ('m', [], '8H', 7.24, 7.13), ('d', ['8.1Hz'], '2H', 6.97, 6.97), ('d', ['4.2Hz'], '2H', 6.65, 6.65), ('s', [], '1H', 6.64, 6.64), ('s', [], '2H', 3.5, 3.5), ('s', [], '3H', 2.4, 2.4), ('s', [], '3H', 2.29, 2.29)] | 27 | 14 | 27 |
10.1039_d2ob00964a | c1(C)ccc(N(/C=C(/C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 | 3 | 3 | [0.15119747 0.20625001 0.40540253 0.29843752] | [0.14912627 0.31601565 0.84725811 0.35742191] | 13C NMR | 100 MHz | CDCl3 | 143.81, 137.33, 135.24, 134.38, 133.87, 129.56, 129.45, 129.40, 129.10, 128.96, 128.27, 128.18, 128.16, 128.14, 127.81, 127.76, 127.26, 125.97, 33.65, 21.62, 21.17 | null | [(143.81, None, None), (137.33, None, None), (135.24, None, None), (134.38, None, None), (133.87, None, None), (129.56, None, None), (129.45, None, None), (129.4, None, None), (129.1, None, None), (128.96, None, None), (128.27, None, None), (128.18, None, None), (128.16, None, None), (128.14, None, None), (127.81, None... | 29 | 21 | 21 |
10.1039_d2ob00964a | c1(C)ccc(N(/C=C(\C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 | 3 | 3 | [0.15133554 0.56445316 0.3822051 0.6816407 ] | [0.14912627 0.69609378 0.84504885 0.73750004] | 1H NMR | 400 MHz | CDCl3 | 7.44-7.40 (m, 2H), 7.35 (d, J = 8.3 Hz, 2H), 7.29-7.23 (m, 5H), 7.20-7.10 (m, 5H), 7.02 (d, J = 8.1 Hz, 2H), 6.82 (d, J = 8.3 Hz, 2H), 6.75 (s, 1H), 3.54 (s, 2H), 2.40 (s, 3H), 2.29 (s, 3H) | null | [('m', [], '2H', 7.44, 7.4), ('d', ['8.3Hz'], '2H', 7.35, 7.35), ('m', [], '5H', 7.29, 7.23), ('m', [], '5H', 7.2, 7.1), ('d', ['8.1Hz'], '2H', 7.02, 7.02), ('d', ['8.3Hz'], '2H', 6.82, 6.82), ('s', [], '1H', 6.75, 6.75), ('s', [], '2H', 3.54, 3.54), ('s', [], '3H', 2.4, 2.4), ('s', [], '3H', 2.29, 2.29)] | 27 | 14 | 27 |
10.1039_d2ob00964a | c1(C)ccc(N(/C=C(\C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 | 3 | 3 | [0.15133554 0.56445316 0.3822051 0.6816407 ] | [0.14912627 0.69609378 0.84504885 0.73750004] | 13C NMR | 100 MHz | CDCl3 | 144.07, 138.12, 136.54, 134.10, 133.26, 133.00, 131.98, 130.57, 129.86, 129.49, 129.39, 129.24, 128.78, 127.81, 127.50, 127.05, 125.32, 109.99, 30.51, 21.61, 21.14 | null | [(144.07, None, None), (138.12, None, None), (136.54, None, None), (134.1, None, None), (133.26, None, None), (133.0, None, None), (131.98, None, None), (130.57, None, None), (129.86, None, None), (129.49, None, None), (129.39, None, None), (129.24, None, None), (128.78, None, None), (127.81, None, None), (127.5, None,... | 29 | 21 | 21 |
10.1039_d2ob00964a | COc1ccc(N(/C=C(/C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 | 4 | 4 | [0.15133554 0.12324219 0.42031514 0.21601563] | [0.14857395 0.23261719 0.84228726 0.27441408] | 1H NMR | 400 MHz | CDCl3 | 7.40-7.36 (m, 2H), 7.36-7.32 (m, 2H), 7.29 (d, J = 8.3 Hz, 2H), 7.27-7.06 (m, 10H), 6.67 (s, 1H), 6.66 (d, J = 1.9 Hz, 2H), 3.76 (s, 3H), 3.50 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '2H', 7.4, 7.36), ('m', [], '2H', 7.36, 7.32), ('d', ['8.3Hz'], '2H', 7.29, 7.29), ('m', [], '10H', 7.27, 7.06), ('s', [], '1H', 6.67, 6.67), ('d', ['1.9Hz'], '2H', 6.66, 6.66), ('s', [], '3H', 3.76, 3.76), ('s', [], '2H', 3.5, 3.5), ('s', [], '3H', 2.4, 2.4)] | 27 | 14 | 27 |
10.1039_d2ob00964a | COc1ccc(N(/C=C(/C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 | 4 | 4 | [0.15133554 0.12324219 0.42031514 0.21601563] | [0.14857395 0.23261719 0.84228726 0.27441408] | 13C NMR | 100 MHz | CDCl3 | 158.72, 143.85, 135.09, 134.22, 133.93, 132.41, 130.04, 129.54, 129.41, 129.11, 128.94, 128.34, 128.08, 127.87, 127.84, 127.25, 124.72, 113.92, 55.40, 33.87, 21.63 | null | [(158.72, None, None), (143.85, None, None), (135.09, None, None), (134.22, None, None), (133.93, None, None), (132.41, None, None), (130.04, None, None), (129.54, None, None), (129.41, None, None), (129.11, None, None), (128.94, None, None), (128.34, None, None), (128.08, None, None), (127.87, None, None), (127.84, No... | 29 | 21 | 21 |
10.1039_d2ob00964a | c1(OC)ccc(N(/C=C(\C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 | 4 | 4 | [0.15133554 0.48125003 0.39325148 0.59843753] | [0.14857395 0.6121094 0.84339189 0.65429688] | 1H NMR | 400 MHz | CDCl3 | 7.43-7.36 (m, 2H), 7.34 (d, J = 8.0 Hz, 2H), 7.27-7.23 (m, 5H), 7.20-7.09 (m, 5H), 6.83 (d, J = 8.8 Hz, 2H), 6.78 (s, 1H), 6.71 (d, J = 8.9 Hz, 2H), 3.75 (s, 3H), 3.52 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '2H', 7.43, 7.36), ('d', ['8.0Hz'], '2H', 7.34, 7.34), ('m', [], '5H', 7.27, 7.23), ('m', [], '5H', 7.2, 7.09), ('d', ['8.8Hz'], '2H', 6.83, 6.83), ('s', [], '1H', 6.78, 6.78), ('d', ['8.9Hz'], '2H', 6.71, 6.71), ('s', [], '3H', 3.75, 3.75), ('s', [], '2H', 3.52, 3.52), ('s', [], '3H', 2.4, 2.4)] | 27 | 14 | 27 |
10.1039_d2ob00964a | c1(OC)ccc(N(/C=C(\C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 | 4 | 4 | [0.15133554 0.48125003 0.39325148 0.59843753] | [0.14857395 0.6121094 0.84339189 0.65429688] | 13C NMR | 100 MHz | CDCl3 | 159.22, 144.09, 133.24, 132.89, 132.26, 131.55, 130.62, 129.99, 129.50, 129.46, 129.39, 129.22, 128.77, 127.84, 127.45, 127.04, 124.23, 114.38, 55.39, 29.69, 21.60 | null | [(159.22, None, None), (144.09, None, None), (133.24, None, None), (132.89, None, None), (132.26, None, None), (131.55, None, None), (130.62, None, None), (129.99, None, None), (129.5, None, None), (129.46, None, None), (129.39, None, None), (129.22, None, None), (128.77, None, None), (127.84, None, None), (127.45, Non... | 29 | 21 | 21 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 | 5 | 5 | [0.15105939 0.09501953 0.39463228 0.18720704] | [0.14912627 0.2046875 0.84173492 0.24648439] | 1H NMR | 400 MHz | CDCl3 | 7.37-7.32 (m, 4H), 7.28 (d, J = 8.3 Hz, 2H), 7.23-7.13 (m, 8H), 6.86-6.80 (m, 2H), 6.68-6.64 (m, 2H), 6.63 (s, 1H), 3.50 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '4H', 7.37, 7.32), ('d', ['8.3Hz'], '2H', 7.28, 7.28), ('m', [], '8H', 7.23, 7.13), ('m', [], '2H', 6.86, 6.8), ('m', [], '2H', 6.68, 6.64), ('s', [], '1H', 6.63, 6.63), ('s', [], '2H', 3.5, 3.5), ('s', [], '3H', 2.4, 2.4)] | 24 | 13 | 24 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 | 5 | 5 | [0.15105939 0.09501953 0.39463228 0.18720704] | [0.14912627 0.2046875 0.84173492 0.24648439] | 13C NMR | 100 MHz | CDCl3 | 161.47 (d, J = 248.1 Hz), 144.12, 135.78 (d, J = 3.1 Hz), 135.02, 133.99, 133.89, 130.28 (d, J = 8.7 Hz), 129.51, 129.39, 129.18, 128.98, 128.21, 127.88, 127.79, 127.54, 127.31, 126.32, 115.66 (d, J = 22.7 Hz), 33.55, 21.63 | null | [(161.47, 'd', 248.1), (144.12, None, None), (135.78, 'd', 3.1), (135.02, None, None), (133.99, None, None), (133.89, None, None), (130.28, 'd', 8.7), (129.51, None, None), (129.39, None, None), (129.18, None, None), (128.98, None, None), (128.21, None, None), (127.88, None, None), (127.79, None, None), (127.54, None, ... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 | 5 | 5 | [0.15119747 0.48125003 0.36674017 0.59843753] | [0.14857395 0.61171876 0.84449651 0.65390631] | 1H NMR | 400 MHz | CDCl3 | 7.48-7.42 (m, 2H), 7.34-7.24 (m, 7H), 7.21-7.09 (m, 5H), 6.88 (d, J = 6.4 Hz, 4H), 6.61 (s, 1H), 3.61 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '2H', 7.48, 7.42), ('m', [], '7H', 7.34, 7.24), ('m', [], '5H', 7.21, 7.09), ('d', ['6.4Hz'], '4H', 6.88, 6.88), ('s', [], '1H', 6.61, 6.61), ('s', [], '2H', 3.61, 3.61), ('s', [], '3H', 2.4, 2.4)] | 24 | 13 | 24 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 | 5 | 5 | [0.15119747 0.48125003 0.36674017 0.59843753] | [0.14857395 0.61171876 0.84449651 0.65390631] | 13C NMR | 100 MHz | CDCl3 | 161.82 (d, J = 248.6 Hz), 144.34, 135.34 (d, J = 3.4 Hz), 133.57, 133.41, 131.59, 130.91, 130.23, 129.59 (d, J = 8.7 Hz), 129.58, 129.54, 129.32, 128.85, 128.16, 127.78, 127.75, 127.27, 116.12 (d, J = 22.8 Hz), 30.48, 21.62 | null | [(161.82, 'd', 248.6), (144.34, None, None), (135.34, 'd', 3.4), (133.57, None, None), (133.41, None, None), (131.59, None, None), (130.91, None, None), (130.23, None, None), (129.59, 'd', 8.7), (129.58, None, None), (129.54, None, None), (129.32, None, None), (128.85, None, None), (128.16, None, None), (127.78, None, ... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 6 | 6 | [0.15105939 0.09545899 0.40346939 0.18769532] | [0.14912627 0.2046875 0.84394423 0.24687501] | 1H NMR | 400 MHz | CDCl3 | 7.35 (t, J = 8.0 Hz, 4H), 7.29 (d, J = 8.1 Hz, 2H), 7.25-7.08 (m, 10H), 6.63 (s, 1H), 6.60 (d, J = 4.8 Hz, 2H), 3.50 (s, 2H), 2.40 (s, 3H) | null | [('t', ['8.0Hz'], '4H', 7.35, 7.35), ('d', ['8.1Hz'], '2H', 7.29, 7.29), ('m', [], '10H', 7.25, 7.08), ('s', [], '1H', 6.63, 6.63), ('d', ['4.8Hz'], '2H', 6.6, 6.6), ('s', [], '2H', 3.5, 3.5), ('s', [], '3H', 2.4, 2.4)] | 24 | 13 | 24 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 6 | 6 | [0.15105939 0.09545899 0.40346939 0.18769532] | [0.14912627 0.2046875 0.84394423 0.24687501] | 13C NMR | 100 MHz | CDCl3 | 144.19, 138.52, 135.11, 134.00, 133.85, 132.97, 129.56, 129.42, 129.35, 129.20, 129.00, 128.95, 128.28, 127.74, 127.50, 127.40, 127.33, 127.28, 33.35, 21.64 | null | [(144.19, None, None), (138.52, None, None), (135.11, None, None), (134.0, None, None), (133.85, None, None), (132.97, None, None), (129.56, None, None), (129.42, None, None), (129.35, None, None), (129.2, None, None), (129.0, None, None), (128.95, None, None), (128.28, None, None), (127.74, None, None), (127.5, None, ... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 6 | 6 | [0.15133554 0.45390628 0.3766819 0.57109378] | [0.14857395 0.58515629 0.84560114 0.62578128] | 1H NMR | 400 MHz | CDCl3 | 7.49-7.43 (m, 2H), 7.31-7.25 (m, 7H), 7.19-7.09 (m, 7H), 6.87-6.82 (m, 2H), 6.53 (s, 1H), 3.63 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '2H', 7.49, 7.43), ('m', [], '7H', 7.31, 7.25), ('m', [], '7H', 7.19, 7.09), ('m', [], '2H', 6.87, 6.82), ('s', [], '1H', 6.53, 6.53), ('s', [], '2H', 3.63, 3.63), ('s', [], '3H', 2.4, 2.4)] | 24 | 13 | 24 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 6 | 6 | [0.15133554 0.45390628 0.3766819 0.57109378] | [0.14857395 0.58515629 0.84560114 0.62578128] | 13C NMR | 100 MHz | CDCl3 | 144.37, 138.13, 133.60, 133.49, 130.32, 130.23, 130.04, 129.87, 129.86, 129.61, 129.35, 129.33, 129.28, 128.87, 128.71, 127.84, 127.74, 127.32, 29.70, 21.62 | null | [(144.37, None, None), (138.13, None, None), (133.6, None, None), (133.49, None, None), (130.32, None, None), (130.23, None, None), (130.04, None, None), (129.87, None, None), (129.86, None, None), (129.61, None, None), (129.35, None, None), (129.33, None, None), (129.28, None, None), (128.87, None, None), (128.71, Non... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 | 7 | 7 | [0.15133554 0.09521485 0.40264093 0.18720704] | [0.14912627 0.2046875 0.84836274 0.24648439] | 1H NMR | 400 MHz | CDCl3 | 7.35 (t, J = 7.7 Hz, 4H), 7.32-7.22 (m, 5H), 7.22-7.11 (m, 7H), 6.58 (d, J = 7.7 Hz, 2H), 6.55 (s, 1H), 3.51 (s, 2H), 2.40 (s, 3H) | null | [('t', ['7.7Hz'], '4H', 7.35, 7.35), ('m', [], '5H', 7.32, 7.22), ('m', [], '7H', 7.22, 7.11), ('d', ['7.7Hz'], '2H', 6.58, 6.58), ('s', [], '1H', 6.55, 6.55), ('s', [], '2H', 3.51, 3.51), ('s', [], '3H', 2.4, 2.4)] | 24 | 13 | 24 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 | 7 | 7 | [0.15133554 0.09521485 0.40264093 0.18720704] | [0.14912627 0.2046875 0.84836274 0.24648439] | 13C NMR | 100 MHz | CDCl3 | 144.21, 139.09, 135.13, 134.00, 133.85, 131.92, 129.69, 129.58, 129.35, 129.21, 129.01, 128.29, 127.74, 127.52, 127.43, 127.39, 127.34, 121.03, 33.32, 21.65 | null | [(144.21, None, None), (139.09, None, None), (135.13, None, None), (134.0, None, None), (133.85, None, None), (131.92, None, None), (129.69, None, None), (129.58, None, None), (129.35, None, None), (129.21, None, None), (129.01, None, None), (128.29, None, None), (127.74, None, None), (127.52, None, None), (127.43, Non... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 | 7 | 7 | [0.15188787 0.45390628 0.37778655 0.57109378] | [0.14912627 0.58515629 0.84836274 0.62578128] | 1H NMR | 400 MHz | CDCl3 | 7.50-7.45 (m, 2H), 7.34-7.27 (m, 9H), 7.21-7.09 (m, 5H), 6.79 (d, J = 8.6 Hz, 2H), 6.51 (s, 1H), 3.64 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '2H', 7.5, 7.45), ('m', [], '9H', 7.34, 7.27), ('m', [], '5H', 7.21, 7.09), ('d', ['8.6Hz'], '2H', 6.79, 6.79), ('s', [], '1H', 6.51, 6.51), ('s', [], '2H', 3.64, 3.64), ('s', [], '3H', 2.4, 2.4)] | 24 | 13 | 24 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 | 7 | 7 | [0.15188787 0.45390628 0.37778655 0.57109378] | [0.14912627 0.58515629 0.84836274 0.62578128] | 13C NMR | 100 MHz | CDCl3 | 144.38, 138.72, 133.66, 133.53, 132.30, 130.08, 130.06, 130.01, 129.96, 129.62, 129.35, 129.32, 128.95, 128.89, 127.87, 127.73, 127.35, 121.58, 30.44, 21.61 | null | [(144.38, None, None), (138.72, None, None), (133.66, None, None), (133.53, None, None), (132.3, None, None), (130.08, None, None), (130.06, None, None), (130.01, None, None), (129.96, None, None), (129.62, None, None), (129.35, None, None), (129.32, None, None), (128.95, None, None), (128.89, None, None), (127.87, Non... | 28 | 20 | 20 |
10.1039_d2ob00964a | c1(OC)cccc(N(/C=C(/C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 | 8 | 8 | [0.15105939 0.54062502 0.36922559 0.65000006] | [0.14857395 0.66796882 0.84339189 0.71015629] | 1H NMR | 400 MHz | CDCl3 | 7.40-7.30 (m, 6H), 7.27-7.15 (m, 8H), 7.06 (t, J = 8.1 Hz, 1H), 6.76 (d, J = 8.2 Hz, 1H), 6.65 (s, 1H), 6.61 (s, 1H), 6.27 (d, J = 7.8 Hz, 1H), 3.70 (s, 3H), 3.52 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '6H', 7.4, 7.3), ('m', [], '8H', 7.27, 7.15), ('t', ['8.1Hz'], '1H', 7.06, 7.06), ('d', ['8.2Hz'], '1H', 6.76, 6.76), ('s', [], '1H', 6.65, 6.65), ('s', [], '1H', 6.61, 6.61), ('d', ['7.8Hz'], '1H', 6.27, 6.27), ('s', [], '3H', 3.7, 3.7), ('s', [], '2H', 3.52, 3.52), ('s', [], '3H', 2.4, 2.4)] | 27 | 16 | 27 |
10.1039_d2ob00964a | c1(OC)cccc(N(/C=C(/C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 | 8 | 8 | [0.15105939 0.54062502 0.36922559 0.65000006] | [0.14857395 0.66796882 0.84339189 0.71015629] | 13C NMR | 100 MHz | CDCl3 | 159.75, 146.73, 143.92, 140.98, 135.18, 134.41, 133.81, 129.64, 129.42, 129.34, 129.13, 129.01, 128.14, 127.79, 127.75, 127.45, 127.31, 120.05, 114.03, 113.42, 55.38, 33.58, 21.62 | null | [(159.75, None, None), (146.73, None, None), (143.92, None, None), (140.98, None, None), (135.18, None, None), (134.41, None, None), (133.81, None, None), (129.64, None, None), (129.42, None, None), (129.34, None, None), (129.13, None, None), (129.01, None, None), (128.14, None, None), (127.79, None, None), (127.75, No... | 29 | 23 | 23 |
10.1039_d2ob00964a | c1(OC)cccc(N(/C=C(\C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 | 9 | 9 | [0.15050707 0.09262696 0.34299042 0.22695314] | [0.14857395 0.24160158 0.84339189 0.28378908] | 1H NMR | 400 MHz | CDCl3 | 7.45-7.42 (m, 2H), 7.37 (d, J = 8.1 Hz, 2H), 7.30-7.25 (m, 5H), 7.21-7.08 (m, 6H), 6.78 (d, J = 8.3 Hz, 1H), 6.69 (s, 1H), 6.55 (s, 1H), 6.52 (d, J = 7.9 Hz, 1H), 3.68 (s, 3H), 3.59 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '2H', 7.45, 7.42), ('d', ['8.1Hz'], '2H', 7.37, 7.37), ('m', [], '5H', 7.3, 7.25), ('m', [], '6H', 7.21, 7.08), ('d', ['8.3Hz'], '1H', 6.78, 6.78), ('s', [], '1H', 6.69, 6.69), ('s', [], '1H', 6.55, 6.55), ('d', ['7.9Hz'], '1H', 6.52, 6.52), ('s', [], '3H', 3.68, 3.68), ('s', [], '2H', 3.59, 3.59), ('s', [],... | 27 | 16 | 27 |
10.1039_d2ob00964a | c1(OC)cccc(N(/C=C(\C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1 | 9 | 9 | [0.15050707 0.09262696 0.34299042 0.22695314] | [0.14857395 0.24160158 0.84339189 0.28378908] | 13C NMR | 100 MHz | CDCl3 | 159.93, 144.18, 140.40, 133.98, 133.28, 133.19, 131.47, 131.45, 130.47, 129.74, 129.50, 129.27, 128.80, 127.80, 127.60, 127.10, 126.93, 119.79, 114.06, 113.36, 55.34, 30.50, 21.61 | null | [(159.93, None, None), (144.18, None, None), (140.4, None, None), (133.98, None, None), (133.28, None, None), (133.19, None, None), (131.47, None, None), (131.45, None, None), (130.47, None, None), (129.74, None, None), (129.5, None, None), (129.27, None, None), (128.8, None, None), (127.8, None, None), (127.6, None, N... | 29 | 23 | 23 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 | 9 | 9 | [0.15119747 0.49453126 0.36894942 0.6039063 ] | [0.14912627 0.62187503 0.84836274 0.66328129] | 1H NMR | 400 MHz | CDCl3 | 7.40-7.13 (m, 15H), 7.03 (t, J = 8.0 Hz, 1H), 6.96 (s, 1H), 6.72 (d, J = 8.0 Hz, 1H), 6.52 (s, 1H), 3.49 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '15H', 7.4, 7.13), ('t', ['8.0Hz'], '1H', 7.03, 7.03), ('s', [], '1H', 6.96, 6.96), ('d', ['8.0Hz'], '1H', 6.72, 6.72), ('s', [], '1H', 6.52, 6.52), ('s', [], '2H', 3.49, 3.49), ('s', [], '3H', 2.4, 2.4)] | 24 | 15 | 24 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 | 9 | 9 | [0.15119747 0.49453126 0.36894942 0.6039063 ] | [0.14912627 0.62187503 0.84836274 0.66328129] | 13C NMR | 100 MHz | CDCl3 | 144.23, 141.14, 135.09, 134.04, 130.88, 130.34, 129.95, 129.55, 129.34, 129.21, 129.10, 128.38, 128.27, 127.73, 127.62, 127.45, 127.41, 127.00, 126.85, 121.97, 33.53, 21.64 | null | [(144.23, None, None), (141.14, None, None), (135.09, None, None), (134.04, None, None), (130.88, None, None), (130.34, None, None), (129.95, None, None), (129.55, None, None), (129.34, None, None), (129.21, None, None), (129.1, None, None), (128.38, None, None), (128.27, None, None), (127.73, None, None), (127.62, Non... | 28 | 22 | 22 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 | 10 | 10 | [0.15050707 0.09243165 0.34299042 0.22675782] | [0.14912627 0.24140626 0.85057205 0.28359376] | 1H NMR | 400 MHz | CDCl3 | 7.47 (d, J = 4.1 Hz, 2H), 7.36-7.24 (m, 8H), 7.21-7.07 (m, 6H), 7.05 (s, 1H), 6.91 (d, J = 7.8 Hz, 1H), 6.48 (s, 1H), 3.65 (s, 2H), 2.40 (s, 3H) | null | [('d', ['4.1Hz'], '2H', 7.47, 7.47), ('m', [], '8H', 7.36, 7.24), ('m', [], '6H', 7.21, 7.07), ('s', [], '1H', 7.05, 7.05), ('d', ['7.8Hz'], '1H', 6.91, 6.91), ('s', [], '1H', 6.48, 6.48), ('s', [], '2H', 3.65, 3.65), ('s', [], '3H', 2.4, 2.4)] | 24 | 15 | 24 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 | 10 | 10 | [0.15050707 0.09243165 0.34299042 0.22675782] | [0.14912627 0.24140626 0.85057205 0.28359376] | 13C NMR | 100 MHz | CDCl3 | 144.48, 140.96, 133.60, 133.47, 130.76, 130.65, 130.63, 130.28, 130.07, 130.04, 129.91, 129.62, 129.41, 129.38, 128.87, 127.85, 127.73, 127.39, 125.90, 122.42, 30.50, 21.63 | null | [(144.48, None, None), (140.96, None, None), (133.6, None, None), (133.47, None, None), (130.76, None, None), (130.65, None, None), (130.63, None, None), (130.28, None, None), (130.07, None, None), (130.04, None, None), (129.91, None, None), (129.62, None, None), (129.41, None, None), (129.38, None, None), (128.87, Non... | 28 | 22 | 22 |
10.1039_d2ob00964a | c1(C)cc(C)c(N(/C=C(/C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(C)c1 | 11 | 11 | [0.15133554 0.52148441 0.40705947 0.61367189] | [0.14857395 0.63046881 0.84007795 0.67265628] | 1H NMR | 400 MHz | CDCl3 | 7.43 (d, J = 8.1 Hz, 2H), 7.33-7.29 (m, 3H), 7.22-7.10 (m, 9H), 7.12 (s, 1H), 6.76 (s, 2H), 3.54 (s, 2H), 2.40 (s, 3H), 2.23 (s, 3H), 1.82 (s, 6H) | null | [('d', ['8.1Hz'], '2H', 7.43, 7.43), ('m', [], '3H', 7.33, 7.29), ('m', [], '9H', 7.22, 7.1), ('s', [], '1H', 7.12, 7.12), ('s', [], '2H', 6.76, 6.76), ('s', [], '2H', 3.54, 3.54), ('s', [], '3H', 2.4, 2.4), ('s', [], '3H', 2.23, 2.23), ('s', [], '6H', 1.82, 1.82)] | 31 | 14 | 31 |
10.1039_d2ob00964a | c1(C)cc(C)c(N(/C=C(/C[Se]c2ccccc2)[Se]c2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(C)c1 | 11 | 11 | [0.15133554 0.52148441 0.40705947 0.61367189] | [0.14857395 0.63046881 0.84007795 0.67265628] | 13C NMR | 100 MHz | CDCl3 | 144.04, 139.52, 139.17, 136.19, 134.74, 133.33, 131.82, 130.43, 129.73, 129.45, 129.00, 128.97, 128.36, 127.75, 127.73, 127.67, 126.97, 108.31, 36.46, 21.64, 21.12, 19.08 | null | [(144.04, None, None), (139.52, None, None), (139.17, None, None), (136.19, None, None), (134.74, None, None), (133.33, None, None), (131.82, None, None), (130.43, None, None), (129.73, None, None), (129.45, None, None), (129.0, None, None), (128.97, None, None), (128.36, None, None), (127.75, None, None), (127.73, Non... | 31 | 22 | 22 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 14 | 14 | [0.15078323 0.08774414 0.40982107 0.17519533] | [0.14857395 0.1864258 0.84339189 0.22851564] | 1H NMR | 400 MHz | CDCl3 | 7.56-7.39 (m, 6H), 7.38-7.18 (m, 11H), 7.15 (d, J = 7.5 Hz, 2H), 5.97 (s, 1H), 3.60 (s, 2H), 3.40-3.33 (m, 2H), 2.84-2.78 (m, 2H), 2.40 (s, 3H) | null | [('m', [], '6H', 7.56, 7.39), ('m', [], '11H', 7.38, 7.18), ('d', ['7.5Hz'], '2H', 7.15, 7.15), ('s', [], '1H', 5.97, 5.97), ('s', [], '2H', 3.6, 3.6), ('m', [], '2H', 3.4, 3.33), ('m', [], '2H', 2.84, 2.78), ('s', [], '3H', 2.4, 2.4)] | 29 | 16 | 29 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 14 | 14 | [0.15078323 0.08774414 0.40982107 0.17519533] | [0.14857395 0.1864258 0.84339189 0.22851564] | 13C NMR | 101 MHz | CDCl3 | 143.61, 138.29, 135.49, 134.34, 134.08, 133.45, 129.85, 129.61, 129.41, 129.24, 129.16, 129.04, 128.86, 128.51, 128.36, 127.53, 127.41, 126.53, 51.68, 34.97, 32.62, 21.57 | null | [(143.61, None, None), (138.29, None, None), (135.49, None, None), (134.34, None, None), (134.08, None, None), (133.45, None, None), (129.85, None, None), (129.61, None, None), (129.41, None, None), (129.24, None, None), (129.16, None, None), (129.04, None, None), (128.86, None, None), (128.51, None, None), (128.36, No... | 30 | 22 | 22 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 14 | 14 | [0.15036899 0.43671876 0.38330975 0.55000004] | [0.14912627 0.56601565 0.84449651 0.60742191] | 1H NMR | 400 MHz | CDCl3 | 7.59-7.56 (m, 4H), 7.41 (d, J = 8.0 Hz, 2H), 7.33-7.29 (m, 3H), 7.26-7.15 (m, 8H), 7.03 (d, J = 7.0 Hz, 2H), 5.42 (s, 1H), 4.14 (s, 2H), 3.07-3.03 (m, 2H), 2.49-2.45 (m, 2H), 2.37 (s, 3H) | null | [('m', [], '4H', 7.59, 7.56), ('d', ['8.0Hz'], '2H', 7.41, 7.41), ('m', [], '3H', 7.33, 7.29), ('m', [], '8H', 7.26, 7.15), ('d', ['7.0Hz'], '2H', 7.03, 7.03), ('s', [], '1H', 5.42, 5.42), ('s', [], '2H', 4.14, 4.14), ('m', [], '2H', 3.07, 3.03), ('m', [], '2H', 2.49, 2.45), ('s', [], '3H', 2.37, 2.37)] | 29 | 16 | 29 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 14 | 14 | [0.15036899 0.43671876 0.38330975 0.55000004] | [0.14912627 0.56601565 0.84449651 0.60742191] | 13C NMR | 100 MHz | CDCl3 | 143.66, 137.97, 134.31, 134.06, 129.72, 129.61, 129.59, 129.39, 129.02, 128.89, 128.73, 128.47, 127.97, 127.93, 127.92, 127.61, 127.40, 126.50, 51.87, 34.74, 31.85, 21.51 | null | [(143.66, None, None), (137.97, None, None), (134.31, None, None), (134.06, None, None), (129.72, None, None), (129.61, None, None), (129.59, None, None), (129.39, None, None), (129.02, None, None), (128.89, None, None), (128.73, None, None), (128.47, None, None), (127.97, None, None), (127.93, None, None), (127.92, No... | 30 | 22 | 22 |
10.1039_d2ob00964a | CCCCN(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 15 | 15 | [0.15050707 0.08847657 0.3896614 0.17480471] | [0.14967859 0.18652346 0.82019448 0.20117189] | 1H NMR | 400 MHz | CDCl3 | 7.49 (t, J = 7.0 Hz, 4H), 7.44-7.40 (m, 2H), 7.34-7.17 (m, 8H), 5.78 (s, 1H), 3.57 (s, 2H), 3.06 (t, J = 6.8 Hz, 2H), 2.40 (s, 3H), 1.45-1.32 (m, 4H), 0.89 (t, J = 7.0 Hz, 3H) | null | [('t', ['7.0Hz'], '4H', 7.49, 7.49), ('m', [], '2H', 7.44, 7.4), ('m', [], '8H', 7.34, 7.17), ('s', [], '1H', 5.78, 5.78), ('s', [], '2H', 3.57, 3.57), ('t', ['6.8Hz'], '2H', 3.06, 3.06), ('s', [], '3H', 2.4, 2.4), ('m', [], '4H', 1.45, 1.32), ('t', ['7.0Hz'], '3H', 0.89, 0.89)] | 29 | 15 | 29 |
10.1039_d2ob00964a | CCCCN(/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 15 | 15 | [0.15050707 0.08847657 0.3896614 0.17480471] | [0.14967859 0.18652346 0.82019448 0.20117189] | 13C NMR | 100 MHz | CDCl3 | 143.44, 137.70, 135.49, 135.14, 133.45, 129.88, 129.52, 129.16, 129.08, 128.25, 128.02, 127.56, 127.33, 126.51, 50.10, 32.42, 30.32, 21.55, 19.97, 13.71 | null | [(143.44, None, None), (137.7, None, None), (135.49, None, None), (135.14, None, None), (133.45, None, None), (129.88, None, None), (129.52, None, None), (129.16, None, None), (129.08, None, None), (128.25, None, None), (128.02, None, None), (127.56, None, None), (127.33, None, None), (126.51, None, None), (50.1, None,... | 26 | 20 | 20 |
10.1039_d2ob00964a | CCCCN(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 15 | 15 | [0.15133554 0.43828128 0.36342623 0.53046879] | [0.14912627 0.54765628 0.82185145 0.58906254] | 1H NMR | 400 MHz | CDCl3 | 7.57 (d, J = 4.1 Hz, 4H), 7.45 (d, J = 8.1 Hz, 2H), 7.35-7.29 (m, 3H), 7.27-7.19 (m, 5H), 5.39 (s, 1H), 4.19 (s, 2H), 2.84 (t, J = 6.9 Hz, 2H), 2.40 (s, 3H), 1.25-1.19 (m, 4H), 0.84 (t, J = 6.8 Hz, 3H) | null | [('d', ['4.1Hz'], '4H', 7.57, 7.57), ('d', ['8.1Hz'], '2H', 7.45, 7.45), ('m', [], '3H', 7.35, 7.29), ('m', [], '5H', 7.27, 7.19), ('s', [], '1H', 5.39, 5.39), ('s', [], '2H', 4.19, 4.19), ('t', ['6.9Hz'], '2H', 2.84, 2.84), ('s', [], '3H', 2.4, 2.4), ('m', [], '4H', 1.25, 1.19), ('t', ['6.8Hz'], '3H', 0.84, 0.84)] | 29 | 15 | 29 |
10.1039_d2ob00964a | CCCCN(/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1)S(=O)(=O)c1ccc(C)cc1 | 15 | 15 | [0.15133554 0.43828128 0.36342623 0.53046879] | [0.14912627 0.54765628 0.82185145 0.58906254] | 13C NMR | 100 MHz | CDCl3 | 143.56, 139.97, 134.33, 134.08, 133.83, 130.45, 129.82, 129.57, 129.53, 129.35, 128.99, 127.85, 127.43, 127.41, 50.31, 31.82, 30.16, 21.53, 19.89, 13.63 | null | [(143.56, None, None), (139.97, None, None), (134.33, None, None), (134.08, None, None), (133.83, None, None), (130.45, None, None), (129.82, None, None), (129.57, None, None), (129.53, None, None), (129.35, None, None), (128.99, None, None), (127.85, None, None), (127.43, None, None), (127.41, None, None), (50.31, Non... | 26 | 20 | 20 |
10.1039_d2ob00964a | O=C1OCCN1/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1 | 15 | 15 | [0.15133554 0.79296882 0.35127521 0.87890632] | [0.15464947 0.88906251 0.68432387 0.90468751] | 1H NMR | 400 MHz | CDCl3 | 7.53-7.48 (m, 4H), 7.30-7.22 (m, 6H), 6.97 (s, 1H), 4.26-4.21 (m, 2H), 3.85 (s, 2H), 3.70-3.65 (m, 2H) | null | [('m', [], '4H', 7.53, 7.48), ('m', [], '6H', 7.3, 7.22), ('s', [], '1H', 6.97, 6.97), ('m', [], '2H', 4.26, 4.21), ('s', [], '2H', 3.85, 3.85), ('m', [], '2H', 3.7, 3.65)] | 17 | 10 | 17 |
10.1039_d2ob00964a | O=C1OCCN1/C=C(/C[Se]c1ccccc1)[Se]c1ccccc1 | 15 | 15 | [0.15133554 0.79296882 0.35127521 0.87890632] | [0.15464947 0.88906251 0.68432387 0.90468751] | 13C NMR | 100 MHz | CDCl3 | 134.72, 132.22, 130.59, 130.24, 129.62, 129.50, 129.27, 129.08, 128.04, 127.39, 109.99, 62.31, 44.27, 31.46 | null | [(134.72, None, None), (132.22, None, None), (130.59, None, None), (130.24, None, None), (129.62, None, None), (129.5, None, None), (129.27, None, None), (129.08, None, None), (128.04, None, None), (127.39, None, None), (109.99, None, None), (62.31, None, None), (44.27, None, None), (31.46, None, None)] | 18 | 14 | 14 |
10.1039_d2ob00964a | O=C1OCCN1/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1 | 16 | 16 | [0.15105939 0.25546877 0.32338307 0.36132816] | [0.1502309 0.37167971 0.68708546 0.38574222] | 1H NMR | 400 MHz | CDCl3 | 7.53-7.43 (m, 2H), 7.40-7.30 (m, 2H), 7.26-7.22 (m, 6H), 6.91 (s, 1H), 4.25 (t, J = 7.9 Hz, 2H), 4.09 (t, J = 7.9 Hz, 2H), 3.82 (s, 2H) | null | [('m', [], '2H', 7.53, 7.43), ('m', [], '2H', 7.4, 7.3), ('m', [], '6H', 7.26, 7.22), ('s', [], '1H', 6.91, 6.91), ('t', ['7.9Hz'], '2H', 4.25, 4.25), ('t', ['7.9Hz'], '2H', 4.09, 4.09), ('s', [], '2H', 3.82, 3.82)] | 17 | 10 | 17 |
10.1039_d2ob00964a | O=C1OCCN1/C=C(\C[Se]c1ccccc1)[Se]c1ccccc1 | 16 | 16 | [0.15105939 0.25546877 0.32338307 0.36132816] | [0.1502309 0.37167971 0.68708546 0.38574222] | 13C NMR | 100 MHz | CDCl3 | 134.50, 134.45, 130.50, 130.44, 130.40, 129.85, 129.50, 129.03, 127.73, 126.94, 109.77, 62.85, 44.41, 38.59 | null | [(134.5, None, None), (134.45, None, None), (130.5, None, None), (130.44, None, None), (130.4, None, None), (129.85, None, None), (129.5, None, None), (129.03, None, None), (127.73, None, None), (126.94, None, None), (109.77, None, None), (62.85, None, None), (44.41, None, None), (38.59, None, None)] | 18 | 14 | 14 |
10.1039_d2ob00964a | c1(C)ccc([Se]CC(=CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2ccc(C)cc2)cc1 | 16 | 16 | [0.15078323 0.56562504 0.44185558 0.66250001] | [0.14857395 0.67734381 0.84339189 0.71875007] | 1H NMR | 400 MHz | CDCl3 | 7.32-7.25 (m, 4H), 7.22-7.16 (m, 4H), 7.08 (d, J = 8.5 Hz, 2H), 6.99 (d, J = 7.6 Hz, 2H), 6.92 (d, J = 7.7 Hz, 2H), 6.57 (d, J = 8.5 Hz, 2H), 6.50 (s, 1H), 3.41 (s, 2H), 2.40 (s, 3H), 2.27 (s, 3H), 2.24 (s, 3H) | null | [('m', [], '4H', 7.32, 7.25), ('m', [], '4H', 7.22, 7.16), ('d', ['8.5Hz'], '2H', 7.08, 7.08), ('d', ['7.6Hz'], '2H', 6.99, 6.99), ('d', ['7.7Hz'], '2H', 6.92, 6.92), ('d', ['8.5Hz'], '2H', 6.57, 6.57), ('s', [], '1H', 6.5, 6.5), ('s', [], '2H', 3.41, 3.41), ('s', [], '3H', 2.4, 2.4), ('s', [], '3H', 2.27, 2.27), ('s',... | 28 | 13 | 28 |
10.1039_d2ob00964a | c1(C)ccc([Se]CC(=CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2ccc(C)cc2)cc1 | 16 | 16 | [0.15078323 0.56562504 0.44185558 0.66250001] | [0.14857395 0.67734381 0.84339189 0.71875007] | 13C NMR | 100 MHz | CDCl3 | 144.07, 138.61, 138.55, 137.34, 135.66, 134.14, 132.87, 129.98, 129.68, 129.47, 129.39, 128.89, 128.41, 127.84, 127.81, 126.55, 125.54, 123.35, 32.97, 21.65, 21.22, 21.13 | null | [(144.07, None, None), (138.61, None, None), (138.55, None, None), (137.34, None, None), (135.66, None, None), (134.14, None, None), (132.87, None, None), (129.98, None, None), (129.68, None, None), (129.47, None, None), (129.39, None, None), (128.89, None, None), (128.41, None, None), (127.84, None, None), (127.81, No... | 30 | 22 | 22 |
10.1039_d2ob00964a | c1(C)ccc([Se]C/C(=C\N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2ccc(C)cc2)cc1 | 17 | 17 | [0.1509213 0.09121094 0.41258267 0.22968751] | [0.14857395 0.24140626 0.84670582 0.28359376] | 1H NMR | 400 MHz | CDCl3 | 7.40 (d, J = 7.2 Hz, 2H), 7.27 (d, J = 7.3 Hz, 2H), 7.21-7.14 (m, 8H), 6.92 (d, J = 7.0 Hz, 2H), 6.81 (d, J = 7.9 Hz, 2H), 6.37 (s, 1H), 3.63 (s, 2H), 2.40 (s, 3H), 2.36 (s, 3H), 2.28 (s, 3H) | null | [('d', ['7.2Hz'], '2H', 7.4, 7.4), ('d', ['7.3Hz'], '2H', 7.27, 7.27), ('m', [], '8H', 7.21, 7.14), ('d', ['7.0Hz'], '2H', 6.92, 6.92), ('d', ['7.9Hz'], '2H', 6.81, 6.81), ('s', [], '1H', 6.37, 6.37), ('s', [], '2H', 3.63, 3.63), ('s', [], '3H', 2.4, 2.4), ('s', [], '3H', 2.36, 2.36), ('s', [], '3H', 2.28, 2.28)] | 28 | 13 | 28 |
10.1039_d2ob00964a | c1(C)ccc([Se]C/C(=C\N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2ccc(C)cc2)cc1 | 17 | 17 | [0.1509213 0.09121094 0.41258267 0.22968751] | [0.14857395 0.24140626 0.84670582 0.28359376] | 13C NMR | 100 MHz | CDCl3 | 144.22, 138.34, 138.06, 137.48, 134.29, 134.03, 133.32, 131.87, 130.15, 129.63, 129.52, 129.34, 129.18, 128.81, 128.53, 128.47, 127.75, 127.69, 30.61, 21.62, 21.22, 21.13 | null | [(144.22, None, None), (138.34, None, None), (138.06, None, None), (137.48, None, None), (134.29, None, None), (134.03, None, None), (133.32, None, None), (131.87, None, None), (130.15, None, None), (129.63, None, None), (129.52, None, None), (129.34, None, None), (129.18, None, None), (128.81, None, None), (128.53, No... | 30 | 22 | 22 |
10.1039_d2ob00964a | c1(OC)ccc([Se]C/C(=C\N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2ccc(OC)cc2)cc1 | 18 | 18 | [0.15133554 0.09121094 0.42749531 0.23007813] | [0.14912627 0.24160158 0.84504885 0.28378908] | 1H NMR | 400 MHz | CDCl3 | 7.47 (d, J = 8.5 Hz, 2H), 7.29 (d, J = 8.5 Hz, 2H), 7.23 (d, J = 8.2 Hz, 2H), 7.18-7.13 (m, 4H), 6.85 (d, J = 8.6 Hz, 2H), 6.76 (d, J = 8.6 Hz, 2H), 6.66 (d, J = 8.6 Hz, 2H), 6.21 (s, 1H), 3.84 (s, 3H), 3.76 (s, 3H), 3.61 (s, 2H), 2.40 (s, 3H) | null | [('d', ['8.5Hz'], '2H', 7.47, 7.47), ('d', ['8.5Hz'], '2H', 7.29, 7.29), ('d', ['8.2Hz'], '2H', 7.23, 7.23), ('m', [], '4H', 7.18, 7.13), ('d', ['8.6Hz'], '2H', 6.85, 6.85), ('d', ['8.6Hz'], '2H', 6.76, 6.76), ('d', ['8.6Hz'], '2H', 6.66, 6.66), ('s', [], '1H', 6.21, 6.21), ('s', [], '3H', 3.84, 3.84), ('s', [], '3H', ... | 28 | 13 | 28 |
10.1039_d2ob00964a | c1(OC)ccc([Se]C/C(=C\N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2ccc(OC)cc2)cc1 | 18 | 18 | [0.15133554 0.09121094 0.42749531 0.23007813] | [0.14912627 0.24160158 0.84504885 0.28378908] | 13C NMR | 100 MHz | CDCl3 | 159.94, 159.56, 144.16, 138.50, 136.71, 136.38, 133.86, 133.50, 133.14, 129.48, 129.13, 128.31, 127.71, 127.43, 119.55, 118.98, 115.02, 114.48, 55.33, 55.19, 30.97, 21.60 | null | [(159.94, None, None), (159.56, None, None), (144.16, None, None), (138.5, None, None), (136.71, None, None), (136.38, None, None), (133.86, None, None), (133.5, None, None), (133.14, None, None), (129.48, None, None), (129.13, None, None), (128.31, None, None), (127.71, None, None), (127.43, None, None), (119.55, None... | 30 | 22 | 22 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccc(F)cc1)[Se]c1ccc(F)cc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 18 | 18 | [0.15119747 0.52031253 0.43080919 0.6171875 ] | [0.14802163 0.63125001 0.84283955 0.67265628] | 1H NMR | 400 MHz | CDCl3 | 7.38-7.30 (m, 3H), 7.28-7.10 (m, 7H), 6.92-6.80 (m, 4H), 6.65 (d, J = 8.5 Hz, 2H), 6.43 (s, 1H), 3.38 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '3H', 7.38, 7.3), ('m', [], '7H', 7.28, 7.1), ('m', [], '4H', 6.92, 6.8), ('d', ['8.5Hz'], '2H', 6.65, 6.65), ('s', [], '1H', 6.43, 6.43), ('s', [], '2H', 3.38, 3.38), ('s', [], '3H', 2.4, 2.4)] | 22 | 11 | 22 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccc(F)cc1)[Se]c1ccc(F)cc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 18 | 18 | [0.15119747 0.52031253 0.43080919 0.6171875 ] | [0.14802163 0.63125001 0.84283955 0.67265628] | 13C NMR | 100 MHz | CDCl3 | 163.04 (d, J = 249.2 Hz), 162.56 (d, J = 248.1 Hz), 144.51, 138.31, 137.64 (d, J = 8.1 Hz), 136.60 (d, J = 7.9 Hz), 133.69, 133.28, 129.57, 129.56, 129.02, 127.69, 127.10, 126.74, 123.60 (d, J = 3.3 Hz), 121.69 (d, J = 2.9 Hz), 116.46 (d, J = 21.5 Hz), 116.16 (d, J = 21.4 Hz), 33.88, 21.59 | null | [(163.04, 'd', 249.2), (162.56, 'd', 248.1), (144.51, None, None), (138.31, None, None), (137.64, 'd', 8.1), (136.6, 'd', 7.9), (133.69, None, None), (133.28, None, None), (129.57, None, None), (129.56, None, None), (129.02, None, None), (127.69, None, None), (127.1, None, None), (126.74, None, None), (123.6, 'd', 3.3)... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccc(F)cc1)[Se]c1ccc(F)cc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 19 | 19 | [0.1509213 0.09121094 0.40153628 0.22988283] | [0.14857395 0.24160158 0.84560114 0.28339844] | 1H NMR | 400 MHz | CDCl3 | 7.51-7.37 (m, 2H), 7.27-7.15 (m, 8H), 6.98 (t, J = 8.5 Hz, 2H), 6.89-6.74 (m, 4H), 6.41 (s, 1H), 3.56 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '2H', 7.51, 7.37), ('m', [], '8H', 7.27, 7.15), ('t', ['8.5Hz'], '2H', 6.98, 6.98), ('m', [], '4H', 6.89, 6.74), ('s', [], '1H', 6.41, 6.41), ('s', [], '2H', 3.56, 3.56), ('s', [], '3H', 2.4, 2.4)] | 22 | 11 | 22 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccc(F)cc1)[Se]c1ccc(F)cc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 19 | 19 | [0.1509213 0.09121094 0.40153628 0.22988283] | [0.14857395 0.24160158 0.84560114 0.28339844] | 13C NMR | 100 MHz | CDCl3 | 162.84 (d, J = 248.7 Hz), 162.61 (d, J = 247.6 Hz), 144.51, 138.13, 136.23 (d, J = 8.0 Hz), 136.20 (d, J = 8.1 Hz), 133.64, 133.38, 130.37, 129.61, 129.53, 129.34, 128.53, 127.69, 124.11 (d, J = 3.4 Hz), 123.57 (d, J = 3.3 Hz), 116.59 (d, J = 21.5 Hz), 116.05 (d, J = 21.5 Hz), 30.88, 21.60 | null | [(162.84, 'd', 248.7), (162.61, 'd', 247.6), (144.51, None, None), (138.13, None, None), (136.23, 'd', 8.0), (136.2, 'd', 8.1), (133.64, None, None), (133.38, None, None), (130.37, None, None), (129.61, None, None), (129.53, None, None), (129.34, None, None), (128.53, None, None), (127.69, None, None), (124.11, 'd', 3.... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccc(Cl)cc1)[Se]c1ccc(Cl)cc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 19 | 19 | [0.15119747 0.51953129 0.43633239 0.61640629] | [0.14857395 0.63125001 0.84615348 0.67265628] | 1H NMR | 400 MHz | CDCl3 | 7.27-7.17 (m, 8H), 7.14 (d, J = 8.3 Hz, 2H), 7.11-7.05 (m, 4H), 6.54 (d, J = 6.7 Hz, 2H), 6.51 (s, 1H), 3.45 (s, 2H), 2.40 (s, 3H) | null | [('m', [], '8H', 7.27, 7.17), ('d', ['8.3Hz'], '2H', 7.14, 7.14), ('m', [], '4H', 7.11, 7.05), ('d', ['6.7Hz'], '2H', 6.54, 6.54), ('s', [], '1H', 6.51, 6.51), ('s', [], '2H', 3.45, 3.45), ('s', [], '3H', 2.4, 2.4)] | 22 | 11 | 22 |
10.1039_d2ob00964a | N(/C=C(/C[Se]c1ccc(Cl)cc1)[Se]c1ccc(Cl)cc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 19 | 19 | [0.15119747 0.51953129 0.43633239 0.61640629] | [0.14857395 0.63125001 0.84615348 0.67265628] | 13C NMR | 100 MHz | CDCl3 | 144.59, 138.18, 136.24, 135.51, 134.71, 133.86, 133.35, 129.65, 129.58, 129.42, 129.11, 129.03, 128.02, 127.70, 127.15, 125.56, 125.40, 109.99, 33.85, 21.70 | null | [(144.59, None, None), (138.18, None, None), (136.24, None, None), (135.51, None, None), (134.71, None, None), (133.86, None, None), (133.35, None, None), (129.65, None, None), (129.58, None, None), (129.42, None, None), (129.11, None, None), (129.03, None, None), (128.02, None, None), (127.7, None, None), (127.15, Non... | 28 | 20 | 20 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccc(Cl)cc1)[Se]c1ccc(Cl)cc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 20 | 20 | [0.15105939 0.09121094 0.40567867 0.22968751] | [0.14857395 0.24160158 0.84670582 0.28300782] | 1H NMR | 400 MHz | CDCl3 | 7.37 (d, J = 8.2 Hz, 2H), 7.27-7.23 (m, 5H), 7.18 (d, J = 8.3 Hz, 5H), 7.06 (d, J = 8.2 Hz, 2H), 6.81 (d, J = 8.5 Hz, 2H), 6.46 (s, 1H), 3.59 (s, 2H), 2.40 (s, 3H) | null | [('d', ['8.2Hz'], '2H', 7.37, 7.37), ('m', [], '5H', 7.27, 7.23), ('d', ['8.3Hz'], '5H', 7.18, 7.18), ('d', ['8.2Hz'], '2H', 7.06, 7.06), ('d', ['8.5Hz'], '2H', 6.81, 6.81), ('s', [], '1H', 6.46, 6.46), ('s', [], '2H', 3.59, 3.59), ('s', [], '3H', 2.4, 2.4)] | 22 | 11 | 22 |
10.1039_d2ob00964a | N(/C=C(\C[Se]c1ccc(Cl)cc1)[Se]c1ccc(Cl)cc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 20 | 20 | [0.15105939 0.09121094 0.40567867 0.22968751] | [0.14857395 0.24160158 0.84670582 0.28300782] | 13C NMR | 100 MHz | CDCl3 | 144.60, 137.94, 135.03, 134.95, 134.32, 133.88, 133.81, 133.30, 130.53, 129.66, 129.56, 129.40, 129.24, 129.02, 128.55, 127.79, 127.69, 127.43, 30.76, 21.63 | null | [(144.6, None, None), (137.94, None, None), (135.03, None, None), (134.95, None, None), (134.32, None, None), (133.88, None, None), (133.81, None, None), (133.3, None, None), (130.53, None, None), (129.66, None, None), (129.56, None, None), (129.4, None, None), (129.24, None, None), (129.02, None, None), (128.55, None,... | 28 | 20 | 20 |
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