Filename stringlengths 10 43 | SMILES stringlengths 3 471 | Page_in_file_mol float64 0 489 | Page_in_file_para int64 0 489 | Location_in_page_mol stringlengths 37 45 | Location_in_page_para stringlengths 37 61 | NMR_type stringclasses 11
values | NMR_frequency stringlengths 3 38 | NMR_solvent stringclasses 17
values | NMR_shift_text stringlengths 1 1.36k | NMR_note stringlengths 2 352 ⌀ | NMR_processed stringlengths 17 2.43k | Atom_number int64 1 244 | Atom_number_diff_env int64 1 118 | Atom_number_abstract float64 0.07 244 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(O)/C(F)=C/c1cc2ccccc2s1 | 12 | 12 | [0.15377416 0.09248047 0.35148378 0.15341797] | [0.15032011 0.16435547 0.84997179 0.32617188] | 13C NMR | 100 MHz | CDCl3 | 161.8 (d, J = 270.0 Hz), 140.3 (d, J = 7.4 Hz), 139.3, 135.5 (d, J = 4.0 Hz), 124.6, 124.5, 123.5, 123.5, 122.2, 101.0 (d, J = 9.9 Hz), 68.9 (d, J = 29.2 Hz), 47.9, 30.4, 30.1 | null | [(161.8, 'd', 270.0), (140.3, 'd', 7.4), (139.3, None, None), (135.5, 'd', 4.0), (124.6, None, None), (124.5, None, None), (123.5, None, None), (123.5, None, None), (122.2, None, None), (101.0, 'd', 9.9), (68.9, 'd', 29.2), (47.9, None, None), (30.4, None, None), (30.1, None, None)] | 16 | 14 | 14 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(O)/C(F)=C/c1cnc2ccccc2c1 | 12 | 12 | [0.15405048 0.37070313 0.36308938 0.43164062] | [0.15087276 0.44140625 0.85107709 0.58515625] | 1H NMR | 400 MHz | CDCl3 | 8.87 (s, 1H), 8.24 (s, 1H), 8.05 (d, J = 8.4 Hz, 1H), 7.74 (d, J = 8.0 Hz, 1H), 7.65 (t, J = 7.2 Hz, 1H), 7.50 (t, J = 7.2 Hz, 1H), 5.92 (d, J = 38.8 Hz, 1H), 4.50-4.30 (m, 1H), 1.78 (d, J = 13.6 Hz, 1H), 1.65 (dd, J = 13.2, 8.4 Hz, 1H), 1.03 (s, 9H) | null | [('s', [], '1H', 8.87, 8.87), ('s', [], '1H', 8.24, 8.24), ('d', ['8.4Hz'], '1H', 8.05, 8.05), ('d', ['8.0Hz'], '1H', 7.74, 7.74), ('t', ['7.2Hz'], '1H', 7.65, 7.65), ('t', ['7.2Hz'], '1H', 7.5, 7.5), ('d', ['38.8Hz'], '1H', 5.92, 5.92), ('m', [], '1H', 4.5, 4.3), ('d', ['13.6Hz'], '1H', 1.78, 1.78), ('dd', ['13.2Hz', ... | 20 | 11 | 19 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(O)/C(F)=C/c1cnc2ccccc2c1 | 12 | 12 | [0.15405048 0.37070313 0.36308938 0.43164062] | [0.15087276 0.44140625 0.85107709 0.58515625] | 19F NMR | 376 MHz | CDCl3 | -111.95 (dd, J = 39.1, 14.7 Hz, 1F) | null | [([-111.95, -111.95], 'dd', ['39.1Hz', '14.7Hz'])] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(O)/C(F)=C/c1cnc2ccccc2c1 | 12 | 12 | [0.15405048 0.37070313 0.36308938 0.43164062] | [0.15087276 0.44140625 0.85107709 0.58515625] | 13C NMR | 100 MHz | CDCl3 | 164.2 (d, J = 271.3 Hz), 150.8 (d, J = 5.8 Hz), 146.6, 134.7 (d, J = 9.7 Hz), 129.5, 128.8, 128.0, 127.0, 126.6 (d, J = 1.3 Hz), 102.2 (d, J = 7.4 Hz), 68.9 (d, J = 29.8 Hz), 47.8, 30.3, 30.0 | null | [(164.2, 'd', 271.3), (150.8, 'd', 5.8), (146.6, None, None), (134.7, 'd', 9.7), (129.5, None, None), (128.8, None, None), (128.0, None, None), (127.0, None, None), (126.6, 'd', 1.3), (102.2, 'd', 7.4), (68.9, 'd', 29.8), (47.8, None, None), (30.3, None, None), (30.0, None, None)] | 17 | 15 | 14 |
10.1021_acs.orglett.3c03788 | C/C(=C(/F)C(O)CC(C)(C)C)c1ccc(-c2ccccc2)cc1 | 12 | 12 | [0.15418864 0.63085938 0.36308938 0.69023437] | [0.15032011 0.7015625 0.84997179 0.84375 ] | 1H NMR | 400 MHz | CDCl3 | 7.59 (t, J = 8.4 Hz, 4H), 7.48-7.40 (m, 4H), 7.35 (t, J = 7.6 Hz, 1H), 4.79 (dt, J = 26.0, 5.6 Hz, 1H), 2.09 (d, J = 3.2 Hz, 3H), 1.78 (dd, J = 14.4, 6.4 Hz, 1H), 1.71 (dd, J = 14.0, 6.8 Hz, 1H), 1.04 (s, 9H) | null | [('t', ['8.4Hz'], '4H', 7.59, 7.59), ('m', [], '4H', 7.48, 7.4), ('t', ['7.6Hz'], '1H', 7.35, 7.35), ('dt', ['26.0Hz', '5.6Hz'], '1H', 4.79, 4.79), ('d', ['3.2Hz'], '3H', 2.09, 2.09), ('dd', ['14.4Hz', '6.4Hz'], '1H', 1.78, 1.78), ('dd', ['14.0Hz', '6.8Hz'], '1H', 1.71, 1.71), ('s', [], '9H', 1.04, 1.04)] | 25 | 10 | 24 |
10.1021_acs.orglett.3c03788 | C/C(=C(/F)C(O)CC(C)(C)C)c1ccc(-c2ccccc2)cc1 | 12 | 12 | [0.15418864 0.63085938 0.36308938 0.69023437] | [0.15032011 0.7015625 0.84997179 0.84375 ] | 19F NMR | 376 MHz | CDCl3 | -128.12 (d, J = 25.2 Hz, 1F) | null | [(-128.12, 'd', 25.2)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | C/C(=C(/F)C(O)CC(C)(C)C)c1ccc(-c2ccccc2)cc1 | 12 | 12 | [0.15418864 0.63085938 0.36308938 0.69023437] | [0.15032011 0.7015625 0.84997179 0.84375 ] | 13C NMR | 100 MHz | CDCl3 | 155.5 (d, J = 252.7 Hz), 140.8, 140.0, 136.8, 128.8, 128.5 (d, J = 4.1 Hz), 127.3, 127.1, 126.8, 113.0 (d, J = 13.0 Hz), 65.8 (d, J = 28.3 Hz), 47.8, 30.0, 30.0, 16.7 | null | [(155.5, 'd', 252.7), (140.8, None, None), (140.0, None, None), (136.8, None, None), (128.8, None, None), (128.5, 'd', 4.1), (127.3, None, None), (127.1, None, None), (126.8, None, None), (113.0, 'd', 13.0), (65.8, 'd', 28.3), (47.8, None, None), (30.0, None, None), (30.0, None, None), (16.7, None, None)] | 21 | 15 | 15 |
10.1021_acs.orglett.3c03788 | C/C(=C(/F)C(O)CC(C)(C)C)c1ccc2ccccc2c1 | 13 | 13 | [0.15418864 0.09594727 0.37137909 0.14902344] | [0.14976746 0.1640625 0.85052444 0.30703125] | 1H NMR | 400 MHz | CDCl3 | 7.86-7.74 (m, 4H), 7.53-7.41 (m, 3H), 4.81 (dt, J = 26.4, 6.4 Hz, 1H), 2.14 (d, J = 2.8 Hz, 3H), 1.80 (dd, J = 14.0, 6.0 Hz, 1H), 1.72 (dd, J = 14.4, 6.8 Hz, 1H), 1.59 (s, 1H), 1.05 (s, 9H) | null | [('m', [], '4H', 7.86, 7.74), ('m', [], '3H', 7.53, 7.41), ('dt', ['26.4Hz', '6.4Hz'], '1H', 4.81, 4.81), ('d', ['2.8Hz'], '3H', 2.14, 2.14), ('dd', ['14.0Hz', '6.0Hz'], '1H', 1.8, 1.8), ('dd', ['14.4Hz', '6.8Hz'], '1H', 1.72, 1.72), ('s', [], '1H', 1.59, 1.59), ('s', [], '9H', 1.05, 1.05)] | 23 | 12 | 23 |
10.1021_acs.orglett.3c03788 | C/C(=C(/F)C(O)CC(C)(C)C)c1ccc2ccccc2c1 | 13 | 13 | [0.15418864 0.09594727 0.37137909 0.14902344] | [0.14976746 0.1640625 0.85052444 0.30703125] | 19F NMR | 376 MHz | CDCl3 | -128.15 (d, J = 26.3 Hz, 1F) | null | [(-128.15, 'd', 26.3)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | C/C(=C(/F)C(O)CC(C)(C)C)c1ccc2ccccc2c1 | 13 | 13 | [0.15418864 0.09594727 0.37137909 0.14902344] | [0.14976746 0.1640625 0.85052444 0.30703125] | 13C NMR | 100 MHz | CDCl3 | 155.7 (d, J = 253.5 Hz), 135.5, 133.3, 132.6, 128.2, 127.7, 127.1 (d, J = 3.4 Hz), 126.5 (d, J = 4.4 Hz), 126.2, 126.1, 113.5 (d, J = 13.3 Hz), 66.0 (d, J = 28.1 Hz), 48.0, 30.2, 30.1, 17.1 (d, J = 4.1 Hz) | null | [(155.7, 'd', 253.5), (135.5, None, None), (133.3, None, None), (132.6, None, None), (128.2, None, None), (127.7, None, None), (127.1, 'd', 3.4), (126.5, 'd', 4.4), (126.2, None, None), (126.1, None, None), (113.5, 'd', 13.3), (66.0, 'd', 28.1), (48.0, None, None), (30.2, None, None), (30.1, None, None), (17.1, 'd', 4.... | 19 | 17 | 16 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(O)C(F)=C(c1ccccc1)c1ccccc1 | 13 | 13 | [0.15391232 0.70234375 0.3271673 0.78359375] | [0.15032011 0.79414063 0.85107709 0.88125 ] | 1H NMR | 400 MHz | CDCl3 | 7.32-7.26 (m, 2H), 7.23-7.14 (m, 8H), 4.33 (dt, J = 27.2, 6.8 Hz, 1H), 1.74 (dd, J = 14.8, 6.4 Hz, 1H), 1.63-1.54 (m, 2H), 0.81 (s, 9H) | null | [('m', [], '2H', 7.32, 7.26), ('m', [], '8H', 7.23, 7.14), ('dt', ['27.2Hz', '6.8Hz'], '1H', 4.33, 4.33), ('dd', ['14.8Hz', '6.4Hz'], '1H', 1.74, 1.74), ('m', [], '2H', 1.63, 1.54), ('s', [], '9H', 0.81, 0.81)] | 23 | 7 | 23 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(O)C(F)=C(c1ccccc1)c1ccccc1 | 13 | 13 | [0.15391232 0.70234375 0.3271673 0.78359375] | [0.15032011 0.79414063 0.85107709 0.88125 ] | 19F NMR | 376 MHz | CDCl3 | -127.13 (d, J = 27.8 Hz) | null | [(-127.13, 'd', 27.8)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(O)C(F)=C(c1ccccc1)c1ccccc1 | 13 | 13 | [0.15391232 0.70234375 0.3271673 0.78359375] | [0.15032011 0.79414063 0.85107709 0.88125 ] | 13C NMR | 100 MHz | CDCl3 | 157.7 (d, J = 263.2 Hz), 137.8 (d, J = 6.9 Hz), 137.0, 130.3, 130.3, 129.8, 129.7, 128.6, 128.2, 127.9, 127.5, 121.2 (d, J = 13.5 Hz), 67.1 (d, J = 27.3 Hz), 48.0, 30.2, 30.0 | null | [(157.7, 'd', 263.2), (137.8, 'd', 6.9), (137.0, None, None), (130.3, None, None), (130.3, None, None), (129.8, None, None), (129.7, None, None), (128.6, None, None), (128.2, None, None), (127.9, None, None), (127.5, None, None), (121.2, 'd', 13.5), (67.1, 'd', 27.3), (48.0, None, None), (30.2, None, None), (30.0, None... | 20 | 10 | 16 |
10.1021_acs.orglett.3c03788 | CC(C)(C)C(O)/C(F)=C/c1ccc2ccccc2c1 | 14 | 14 | [0.15363599 0.52148438 0.34181245 0.57460937] | [0.15032011 0.59140625 0.85107709 0.75234375] | 1H NMR | 400 MHz | CDCl3 | 7.81 (s, 1H), 7.68 (d, J = 6.8 Hz, 3H), 7.56 (d, J = 8.4, 1H), 7.38-7.31 (m, 2H), 5.77 (d, J = 39.6 Hz, 1H), 3.82 (d, J = 18.8 Hz, 1H), 2.08 (s, 1H), 0.96 (s, 9H) | null | [('s', [], '1H', 7.81, 7.81), ('d', ['6.8Hz'], '3H', 7.68, 7.68), ('d', "['8.4Hz']", '1H', 7.56, 7.56), ('m', [], '2H', 7.38, 7.31), ('d', ['39.6Hz'], '1H', 5.77, 5.77), ('d', ['18.8Hz'], '1H', 3.82, 3.82), ('s', [], '1H', 2.08, 2.08), ('s', [], '9H', 0.96, 0.96)] | 19 | 11 | 19 |
10.1021_acs.orglett.3c03788 | CC(C)(C)C(O)/C(F)=C/c1ccc2ccccc2c1 | 14 | 14 | [0.15363599 0.52148438 0.34181245 0.57460937] | [0.15032011 0.59140625 0.85107709 0.75234375] | 13C NMR | 100 MHz | CDCl3 | 160.4 (d, J = 270.3 Hz), 133.5, 132.6 (d, J = 1.8 Hz), 130.6 (d, J = 2.9 Hz), 128.1, 128.1, 127.8 (d, J = 7.5 Hz), 127.7, 126.7 (d, J = 7.5 Hz), 126.3, 126.1, 108.2 (d, J = 6.7 Hz), 79.3 (d, J = 27.2 Hz), 35.5 (d, J = 2.5 Hz), 26.1 | null | [(160.4, 'd', 270.3), (133.5, None, None), (132.6, 'd', 1.8), (130.6, 'd', 2.9), (128.1, None, None), (128.1, None, None), (127.8, 'd', 7.5), (127.7, None, None), (126.7, 'd', 7.5), (126.3, None, None), (126.1, None, None), (108.2, 'd', 6.7), (79.3, 'd', 27.2), (35.5, 'd', 2.5), (26.1, None, None)] | 17 | 15 | 15 |
10.1021_acs.orglett.3c03788 | OC(C(F)=Cc1ccc2ccccc2c1)C1CC1 | 15 | 15 | [0.15363599 0.61484375 0.35037849 0.66796875] | [0.14976746 0.68359375 0.85052444 0.8421875 ] | 1H NMR | 400 MHz | CDCl3 | 7.95 (s, 1H), 7.80 (d, J = 8.4 Hz, 3H), 7.74-7.66 (m, 1H), 7.51-7.41 (m, 2H), 6.00 (d, J = 39.2 Hz, 1H), 3.65 (dd, J = 13.6, 8.4 Hz, 1H), 1.89 (s, 1H), 1.35-1.19 (m, 1H), 0.68 (d, J = 8.0 Hz, 2H), 0.54-0.43 (m, 2H) | null | [('s', [], '1H', 7.95, 7.95), ('d', ['8.4Hz'], '3H', 7.8, 7.8), ('m', [], '1H', 7.74, 7.66), ('m', [], '2H', 7.51, 7.41), ('d', ['39.2Hz'], '1H', 6.0, 6.0), ('dd', ['13.6Hz', '8.4Hz'], '1H', 3.65, 3.65), ('s', [], '1H', 1.89, 1.89), ('m', [], '1H', 1.35, 1.19), ('d', ['8.0Hz'], '2H', 0.68, 0.68), ('m', [], '2H', 0.54, ... | 15 | 12 | 15 |
10.1021_acs.orglett.3c03788 | OC(C(F)=Cc1ccc2ccccc2c1)C1CC1 | 15 | 15 | [0.15363599 0.61484375 0.35037849 0.66796875] | [0.14976746 0.68359375 0.85052444 0.8421875 ] | 19F NMR | 376 MHz | CDCl3 | -115.16 (dd, J = 39.5, 13.2 Hz, 1F) | null | [([-115.16, -115.16], 'dd', ['39.5Hz', '13.2Hz'])] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | OC(C(F)=Cc1ccc2ccccc2c1)C1CC1 | 15 | 15 | [0.15363599 0.61484375 0.35037849 0.66796875] | [0.14976746 0.68359375 0.85052444 0.8421875 ] | 13C NMR | 100 MHz | CDCl3 | 160.3 (d, J = 267.9 Hz), 133.5, 132.7 (d, J = 1.7 Hz), 130.6 (d, J = 2.8 Hz), 128.2, 128.1, 128.0 (d, J = 7.3 Hz), 127.7, 126.8 (d, J = 7.5 Hz), 126.3, 126.2, 106.4 (d, J = 6.3 Hz), 75.5 (d, J = 29.2 Hz), 15.5, 3.4, 2.8 | null | [(160.3, 'd', 267.9), (133.5, None, None), (132.7, 'd', 1.7), (130.6, 'd', 2.8), (128.2, None, None), (128.1, None, None), (128.0, 'd', 7.3), (127.7, None, None), (126.8, 'd', 7.5), (126.3, None, None), (126.2, None, None), (106.4, 'd', 6.3), (75.5, 'd', 29.2), (15.5, None, None), (3.4, None, None), (2.8, None, None)] | 16 | 15 | 16 |
10.1021_acs.orglett.3c03788 | OC(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 16 | 16 | [0.15446497 0.09580078 0.36999747 0.14931641] | [0.14921481 0.1640625 0.85052444 0.30703125] | 1H NMR | 400 MHz | CDCl3 | 7.94 (s, 1H), 7.83-7.75 (m, 3H), 7.67 (dd, J = 8.4, 1.6 Hz, 1H), 7.54 (d, J = 6.8 Hz, 2H), 7.49-7.35 (m, 5H), 6.08 (d, J = 39.2 Hz, 1H), 5.42 (dd, J = 11.6, 4.4 Hz, 1H), 2.35 (d, J = 4.4 Hz, 1H) | null | [('s', [], '1H', 7.94, 7.94), ('m', [], '3H', 7.83, 7.75), ('dd', ['8.4Hz', '1.6Hz'], '1H', 7.67, 7.67), ('d', ['6.8Hz'], '2H', 7.54, 7.54), ('m', [], '5H', 7.49, 7.35), ('d', ['39.2Hz'], '1H', 6.08, 6.08), ('dd', ['11.6Hz', '4.4Hz'], '1H', 5.42, 5.42), ('d', ['4.4Hz'], '1H', 2.35, 2.35)] | 15 | 13 | 15 |
10.1021_acs.orglett.3c03788 | OC(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 16 | 16 | [0.15446497 0.09580078 0.36999747 0.14931641] | [0.14921481 0.1640625 0.85052444 0.30703125] | 19F NMR | 376 MHz | CDCl3 | -114.50 (dd, J = 39.1, 11.7 Hz, 1F) | null | [([-114.5, -114.5], 'dd', ['39.1Hz', '11.7Hz'])] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | OC(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 16 | 16 | [0.15446497 0.09580078 0.36999747 0.14931641] | [0.14921481 0.1640625 0.85052444 0.30703125] | 13C NMR | 100 MHz | CDCl3 | 159.7 (d, J = 267.1 Hz), 139.6, 133.5, 132.7 (d, J = 1.6 Hz), 130.4 (d, J = 2.8 Hz), 128.9, 128.7, 128.2, 128.2, 128.2 (d, J = 7.0 Hz), 127.7, 127.0, 126.7 (d, J = 7.5 Hz), 126.3, 126.3, 107.3 (d, J = 6.0 Hz), 73.5 (d, J = 32.1 Hz) | null | [(159.7, 'd', 267.1), (139.6, None, None), (133.5, None, None), (132.7, 'd', 1.6), (130.4, 'd', 2.8), (128.9, None, None), (128.7, None, None), (128.2, None, None), (128.2, None, None), (128.2, 'd', 7.0), (127.7, None, None), (127.0, None, None), (126.7, 'd', 7.5), (126.3, None, None), (126.3, None, None), (107.3, 'd',... | 19 | 17 | 17 |
10.1021_acs.orglett.3c03788 | COc1ccccc1C(O)/C(F)=C/c1ccc2ccccc2c1 | 16 | 16 | [0.1543268 0.35546875 0.36972115 0.40859375] | [0.15032011 0.4234375 0.85107709 0.58515625] | 1H NMR | 400 MHz | CDCl3 | 7.93 (s, 1H), 7.78 (d, J = 7.6 Hz, 3H), 7.68 (d, J = 8.4 Hz, 1H), 7.51-7.41 (m, 3H), 7.35 (t, J = 7.6 Hz, 1H), 7.03 (t, J = 7.6 Hz, 1H), 6.95 (d, J = 8.0 Hz, 1H), 6.03 (d, J = 39.2 Hz, 1H), 5.68 (dd, J = 9.6, 6.4 Hz, 1H), 3.89 (s, 3H), 3.14 (d, J = 6.4 Hz, 1H) | null | [('s', [], '1H', 7.93, 7.93), ('d', ['7.6Hz'], '3H', 7.78, 7.78), ('d', ['8.4Hz'], '1H', 7.68, 7.68), ('m', [], '3H', 7.51, 7.41), ('t', ['7.6Hz'], '1H', 7.35, 7.35), ('t', ['7.6Hz'], '1H', 7.03, 7.03), ('d', ['8.0Hz'], '1H', 6.95, 6.95), ('d', ['39.2Hz'], '1H', 6.03, 6.03), ('dd', ['9.6Hz', '6.4Hz'], '1H', 5.68, 5.68)... | 17 | 15 | 17 |
10.1021_acs.orglett.3c03788 | COc1ccccc1C(O)/C(F)=C/c1ccc2ccccc2c1 | 16 | 16 | [0.1543268 0.35546875 0.36972115 0.40859375] | [0.15032011 0.4234375 0.85107709 0.58515625] | 19F NMR | 376 MHz | CDCl3 | -112.77 (dd, J = 39.1, 9.4 Hz, 1F) | null | [([-112.77, -112.77], 'dd', ['39.1Hz', '9.4Hz'])] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | COc1ccccc1C(O)/C(F)=C/c1ccc2ccccc2c1 | 16 | 16 | [0.1543268 0.35546875 0.36972115 0.40859375] | [0.15032011 0.4234375 0.85107709 0.58515625] | 13C NMR | 100 MHz | CDCl3 | 159.7 (d, J = 267.5 Hz), 157.3, 133.6, 132.6 (d, J = 1.5 Hz), 130.8 (d, J = 3.0 Hz), 129.8, 128.4, 128.2, 128.1, 128.0 (d, J = 7.3 Hz), 127.7, 127.6, 126.8 (d, J = 7.6 Hz), 126.3, 126.1, 121.2, 111.1, 106.8 (d, J = 6.0 Hz), 69.7 (d, J = 32.3 Hz), 55.8 | null | [(159.7, 'd', 267.5), (157.3, None, None), (133.6, None, None), (132.6, 'd', 1.5), (130.8, 'd', 3.0), (129.8, None, None), (128.4, None, None), (128.2, None, None), (128.1, None, None), (128.0, 'd', 7.3), (127.7, None, None), (127.6, None, None), (126.8, 'd', 7.6), (126.3, None, None), (126.1, None, None), (121.2, None... | 20 | 20 | 20 |
10.1021_acs.orglett.3c03788 | COc1cccc(C(O)/C(F)=C/c2ccc3ccccc3c2)c1 | 16 | 16 | [0.15363599 0.63359375 0.42056472 0.68671875] | [0.14976746 0.7015625 0.85052444 0.8625 ] | 1H NMR | 400 MHz | CDCl3 | 7.94 (s, 1H), 7.79 (d, J = 7.6 Hz, 3H), 7.68 (d, J = 8.8 Hz, 1H), 7.50-7.42 (m, 2H), 7.34 (t, J = 7.8 Hz, 1H), 7.11 (d, J = 7.6 Hz, 2H), 6.95-6.87 (m, 1H), 6.07 (d, J = 39.2 Hz, 1H), 5.39 (d, J = 11.6 Hz, 1H), 3.83 (s, 3H), 2.44 (s, 1H) | null | [('s', [], '1H', 7.94, 7.94), ('d', ['7.6Hz'], '3H', 7.79, 7.79), ('d', ['8.8Hz'], '1H', 7.68, 7.68), ('m', [], '2H', 7.5, 7.42), ('t', ['7.8Hz'], '1H', 7.34, 7.34), ('d', ['7.6Hz'], '2H', 7.11, 7.11), ('m', [], '1H', 6.95, 6.87), ('d', ['39.2Hz'], '1H', 6.07, 6.07), ('d', ['11.6Hz'], '1H', 5.39, 5.39), ('s', [], '3H',... | 17 | 15 | 17 |
10.1021_acs.orglett.3c03788 | COc1cccc(C(O)/C(F)=C/c2ccc3ccccc3c2)c1 | 16 | 16 | [0.15363599 0.63359375 0.42056472 0.68671875] | [0.14976746 0.7015625 0.85052444 0.8625 ] | 19F NMR | 376 MHz | CDCl3 | -114.63 (dd, J = 39.1, 11.7 Hz, 1F) | null | [([-114.63, -114.63], 'dd', ['39.1Hz', '11.7Hz'])] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | COc1cccc(C(O)/C(F)=C/c2ccc3ccccc3c2)c1 | 16 | 16 | [0.15363599 0.63359375 0.42056472 0.68671875] | [0.14976746 0.7015625 0.85052444 0.8625 ] | 13C NMR | 100 MHz | CDCl3 | 160.0, 159.5 (d, J = 266.9 Hz), 141.1, 133.5, 132.7 (d, J = 1.8 Hz), 130.4 (d, J = 2.9 Hz), 129.9, 128.2, 128.2, 127.7, 126.7 (d, J = 7.4 Hz), 126.3, 126.2, 119.2, 114.3, 112.4, 107.3 (d, J = 6.0 Hz), 73.4 (d, J = 31.9 Hz), 55.5 | null | [(160.0, None, None), (159.5, 'd', 266.9), (141.1, None, None), (133.5, None, None), (132.7, 'd', 1.8), (130.4, 'd', 2.9), (129.9, None, None), (128.2, None, None), (128.2, None, None), (127.7, None, None), (126.7, 'd', 7.4), (126.3, None, None), (126.2, None, None), (119.2, None, None), (114.3, None, None), (112.4, No... | 20 | 20 | 19 |
10.1021_acs.orglett.3c03788 | COc1ccc(C(O)/C(F)=C/c2ccc3ccccc3c2)cc1 | 17 | 17 | [0.15418864 0.09458008 0.40951177 0.15390625] | [0.14976746 0.1640625 0.85052444 0.30703125] | 1H NMR | 400 MHz | CDCl3 | 7.93 (s, 1H), 7.83-7.75 (m, 3H), 7.67 (d, J = 8.8 Hz, 1H), 7.45 (d, J = 8.8 Hz, 4H), 6.94 (d, J = 8.8 Hz, 2H), 6.07 (d, J = 39.2 Hz, 1H), 5.37 (dd, J = 10.8, 4.0 Hz, 1H), 3.82 (s, 3H), 2.29 (d, J = 4.4 Hz, 1H) | null | [('s', [], '1H', 7.93, 7.93), ('m', [], '3H', 7.83, 7.75), ('d', ['8.8Hz'], '1H', 7.67, 7.67), ('d', ['8.8Hz'], '4H', 7.45, 7.45), ('d', ['8.8Hz'], '2H', 6.94, 6.94), ('d', ['39.2Hz'], '1H', 6.07, 6.07), ('dd', ['10.8Hz', '4.0Hz'], '1H', 5.37, 5.37), ('s', [], '3H', 3.82, 3.82), ('d', ['4.4Hz'], '1H', 2.29, 2.29)] | 17 | 13 | 17 |
10.1021_acs.orglett.3c03788 | COc1ccc(C(O)/C(F)=C/c2ccc3ccccc3c2)cc1 | 17 | 17 | [0.15418864 0.09458008 0.40951177 0.15390625] | [0.14976746 0.1640625 0.85052444 0.30703125] | 19F NMR | 376 MHz | CDCl3 | -114.19 (dd, J = 39.5, 10.9 Hz, 1F) | null | [([-114.19, -114.19], 'dd', ['39.5Hz', '10.9Hz'])] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | COc1ccc(C(O)/C(F)=C/c2ccc3ccccc3c2)cc1 | 17 | 17 | [0.15418864 0.09458008 0.40951177 0.15390625] | [0.14976746 0.1640625 0.85052444 0.30703125] | 13C NMR | 100 MHz | CDCl3 | 160.0, 159.9 (d, J = 266.6 Hz), 133.5, 132.7 (d, J = 1.7 Hz), 131.7, 130.5 (d, J = 2.7 Hz), 128.4, 128.2, 128.1, 128.1, 127.7, 126.8 (d, J = 7.6 Hz), 126.3, 126.2, 114.3, 106.9 (d, J = 6.0 Hz), 73.0 (d, J = 32.3 Hz), 55.5 | null | [(160.0, None, None), (159.9, 'd', 266.6), (133.5, None, None), (132.7, 'd', 1.7), (131.7, None, None), (130.5, 'd', 2.7), (128.4, None, None), (128.2, None, None), (128.1, None, None), (128.1, None, None), (127.7, None, None), (126.8, 'd', 7.6), (126.3, None, None), (126.2, None, None), (114.3, None, None), (106.9, 'd... | 20 | 18 | 18 |
10.1021_acs.orglett.3c03788 | OC(/C(F)=C/c1ccc2ccccc2c1)c1ccc(F)cc1 | 17 | 17 | [0.15446497 0.35273437 0.38989278 0.41289063] | [0.15032011 0.4234375 0.85107709 0.58515625] | 1H NMR | 400 MHz | CDCl3 | 7.93 (s, 1H), 7.79 (d, J = 8.4 Hz, 3H), 7.66 (d, J = 8.4 Hz, 1H), 7.56-7.38 (m, 4H), 7.10 (t, J = 8.8 Hz, 2H), 6.06 (d, J = 39.2 Hz, 1H), 5.40 (dd, J = 11.2, 4.0 Hz, 1H), 2.37 (d, J = 4.4 Hz, 1H) | null | [('s', [], '1H', 7.93, 7.93), ('d', ['8.4Hz'], '3H', 7.79, 7.79), ('d', ['8.4Hz'], '1H', 7.66, 7.66), ('m', [], '4H', 7.56, 7.38), ('t', ['8.8Hz'], '2H', 7.1, 7.1), ('d', ['39.2Hz'], '1H', 6.06, 6.06), ('dd', ['11.2Hz', '4.0Hz'], '1H', 5.4, 5.4), ('d', ['4.4Hz'], '1H', 2.37, 2.37)] | 14 | 12 | 14 |
10.1021_acs.orglett.3c03788 | OC(/C(F)=C/c1ccc2ccccc2c1)c1ccc(F)cc1 | 17 | 17 | [0.15446497 0.35273437 0.38989278 0.41289063] | [0.15032011 0.4234375 0.85107709 0.58515625] | 19F NMR | 376 MHz | CDCl3 | -113.13--113.48 (m, 1F),-114.92 (dd, J = 39.1, 11.3 Hz, 1F) | null | [([-113.13, -113.48], 'm', None), ([-114.92, -114.92], 'dd', ['39.1Hz', '11.3Hz'])] | 2 | 2 | 2 |
10.1021_acs.orglett.3c03788 | OC(/C(F)=C/c1ccc2ccccc2c1)c1ccc(F)cc1 | 17 | 17 | [0.15446497 0.35273437 0.38989278 0.41289063] | [0.15032011 0.4234375 0.85107709 0.58515625] | 13C NMR | 100 MHz | CDCl3 | 163.0 (d, J = 245.7 Hz), 159.4 (d, J = 266.9 Hz), 135.3 (d, J = 3.3 Hz), 133.5, 132.8, 130.2 (d, J = 3.2 Hz), 128.8, 128.8, 128.2, 128.2 (d, J = 7.7 Hz), 127.7, 126.7 (d, J = 7.6 Hz), 126.4, 126.3, 115.9, 115.7, 107.4 (d, J = 6.0 Hz), 72.8 (d, J = 32.1 Hz) | null | [(163.0, 'd', 245.7), (159.4, 'd', 266.9), (135.3, 'd', 3.3), (133.5, None, None), (132.8, None, None), (130.2, 'd', 3.2), (128.8, None, None), (128.8, None, None), (128.2, None, None), (128.2, 'd', 7.7), (127.7, None, None), (126.7, 'd', 7.6), (126.4, None, None), (126.3, None, None), (115.9, None, None), (115.7, None... | 19 | 17 | 18 |
10.1021_acs.orglett.3c03788 | CC(C)(C)OC(=O)N1CCC(C(O)/C(F)=C/c2ccc(-c3ccccc3)cc2)CC1 | 17 | 17 | [0.15418864 0.62890625 0.47417152 0.71015625] | [0.14976746 0.7203125 0.85052444 0.88125 ] | 1H NMR | 400 MHz | CDCl3 | 7.56-7.47 (m, 6H), 7.36 (t, J = 7.2 Hz, 2H), 7.26 (t, J = 7.2 Hz, 1H), 5.71 (d, J = 39.6 Hz, 1H), 3.89 (dd, J = 18.4, 5.6 Hz, 1H), 2.62 (t, J = 13.2 Hz, 2H), 2.33 (s, 1H), 1.86 (d, J = 14.8 Hz, 1H), 1.82-1.74 (m, 1H), 1.56 (d, J = 12.0 Hz, 1H), 1.37 (s, 9H), 1.28-1.12 (m, 2H), 0.90-0.76 (m, 2H) | null | [('m', [], '6H', 7.56, 7.47), ('t', ['7.2Hz'], '2H', 7.36, 7.36), ('t', ['7.2Hz'], '1H', 7.26, 7.26), ('d', ['39.6Hz'], '1H', 5.71, 5.71), ('dd', ['18.4Hz', '5.6Hz'], '1H', 3.89, 3.89), ('t', ['13.2Hz'], '2H', 2.62, 2.62), ('s', [], '1H', 2.33, 2.33), ('d', ['14.8Hz'], '1H', 1.86, 1.86), ('m', [], '1H', 1.82, 1.74), ('... | 30 | 12 | 30 |
10.1021_acs.orglett.3c03788 | CC(C)(C)OC(=O)N1CCC(C(O)/C(F)=C/c2ccc(-c3ccccc3)cc2)CC1 | 17 | 17 | [0.15418864 0.62890625 0.47417152 0.71015625] | [0.14976746 0.7203125 0.85052444 0.88125 ] | 19F NMR | 376 MHz | CDCl3 | -116.93 (s, 1F) | null | [(-116.93, 's', None)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(C)(C)OC(=O)N1CCC(C(O)/C(F)=C/c2ccc(-c3ccccc3)cc2)CC1 | 17 | 17 | [0.15418864 0.62890625 0.47417152 0.71015625] | [0.14976746 0.7203125 0.85052444 0.88125 ] | 13C NMR | 100 MHz | CDCl3 | 158.2 (d, J = 268.8 Hz), 153.8, 139.5, 139.1, 130.6 (d, J = 2.3 Hz), 128.1 (d, J = 7.2 Hz), 127.8, 126.4, 126.1, 125.9, 106.4 (d, J = 6.3 Hz), 78.5, 74.2 (d, J = 28.6Hz), 38.5, 27.4, 26.6 | null | [(158.2, 'd', 268.8), (153.8, None, None), (139.5, None, None), (139.1, None, None), (130.6, 'd', 2.3), (128.1, 'd', 7.2), (127.8, None, None), (126.4, None, None), (126.1, None, None), (125.9, None, None), (106.4, 'd', 6.3), (78.5, None, None), (74.2, 'd', 28.6), (38.5, None, None), (27.4, None, None), (26.6, None, No... | 25 | 17 | 16 |
10.1021_acs.orglett.3c03788 | CC(C)CCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15418864 0.10732422 0.34153613 0.19599609] | [0.14976746 0.2015625 0.85052444 0.3421875 ] | 1H NMR | 400 MHz | CDCl3 | 7.95 (s, 1H), 7.88-7.76 (m, 3H), 7.68 (d, J = 8.4 Hz, 1H), 7.46 (d, J = 4.0 Hz, 2H), 6.07 (d, J = 40.4 Hz, 1H), 1.87 (s, 1H), 1.84-1.68 (m, 2H), 1.61-1.52 (m, 1H), 1.52 (s, 3H), 1.35-1.23 (m, 2H), 0.92 (d, J = 6.0 Hz, 6H) | null | [('s', [], '1H', 7.95, 7.95), ('m', [], '3H', 7.88, 7.76), ('d', ['8.4Hz'], '1H', 7.68, 7.68), ('d', ['4.0Hz'], '2H', 7.46, 7.46), ('d', ['40.4Hz'], '1H', 6.07, 6.07), ('s', [], '1H', 1.87, 1.87), ('m', [], '2H', 1.84, 1.68), ('m', [], '1H', 1.61, 1.52), ('s', [], '3H', 1.52, 1.52), ('m', [], '2H', 1.35, 1.23), ('d', [... | 23 | 14 | 23 |
10.1021_acs.orglett.3c03788 | CC(C)CCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15418864 0.10732422 0.34153613 0.19599609] | [0.14976746 0.2015625 0.85052444 0.3421875 ] | 19F NMR | 376 MHz | CDCl3 | -114.69 (d, J = 39.9 Hz) | null | [(-114.69, 'd', 39.9)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(C)CCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15418864 0.10732422 0.34153613 0.19599609] | [0.14976746 0.2015625 0.85052444 0.3421875 ] | 13C NMR | 100 MHz | CDCl3 | 163.8 (d, J = 269.5 Hz), 133.5, 132.4, 130.8 (d, J = 2.1 Hz), 128.0, 128.0, 127.6 (d, J = 7.7 Hz), 127.5, 126.7 (d, J = 7.5 Hz), 126.1, 125.9, 104.3 (d, J = 6.6 Hz), 73.36 (d, J = 28.7 Hz), 37.8, 32.8, 28.3, 26.3, 22.6 | null | [(163.8, 'd', 269.5), (133.5, None, None), (132.4, None, None), (130.8, 'd', 2.1), (128.0, None, None), (128.0, None, None), (127.6, 'd', 7.7), (127.5, None, None), (126.7, 'd', 7.5), (126.1, None, None), (125.9, None, None), (104.3, 'd', 6.6), (73.36, 'd', 28.7), (37.8, None, None), (32.8, None, None), (28.3, None, No... | 19 | 18 | 18 |
10.1021_acs.orglett.3c03788 | COC(=O)CCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15391232 0.38574219 0.36281306 0.4734375 ] | [0.15032011 0.47929688 0.84997179 0.62226563] | 1H NMR | 400 MHz | CDCl3 | 7.94 (s, 1H), 7.81 (d, J = 8.4 Hz, 3H), 7.66 (d, J = 8.8 Hz, 1H), 7.52-7.43 (m, 2H), 6.08 (d, J = 40.0 Hz, 1H), 2.79-2.68 (m, 1H), 2.68-2.58 (m, 2H), 2.18 (dt, J = 12.8, 9.6 Hz, 1H), 1.75 (s, 3H), 1.56 (s, 3H) | null | [('s', [], '1H', 7.94, 7.94), ('d', ['8.4Hz'], '3H', 7.81, 7.81), ('d', ['8.8Hz'], '1H', 7.66, 7.66), ('m', [], '2H', 7.52, 7.43), ('d', ['40.0Hz'], '1H', 6.08, 6.08), ('m', [], '1H', 2.79, 2.68), ('m', [], '2H', 2.68, 2.58), ('dt', ['12.8Hz', '9.6Hz'], '1H', 2.18, 2.18), ('s', [], '3H', 1.75, 1.75), ('s', [], '3H', 1.... | 19 | 13 | 18 |
10.1021_acs.orglett.3c03788 | COC(=O)CCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15391232 0.38574219 0.36281306 0.4734375 ] | [0.15032011 0.47929688 0.84997179 0.62226563] | 19F NMR | 376 MHz | CDCl3 | -117.44 (d, J = 39.5 Hz, 1F) | null | [(-117.44, 'd', 39.5)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | COC(=O)CCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15391232 0.38574219 0.36281306 0.4734375 ] | [0.15032011 0.47929688 0.84997179 0.62226563] | 13C NMR | 100 MHz | CDCl3 | 176.2, 158.5 (d, J = 268.2 Hz), 133.5, 132.8 (d, J = 1.6 Hz), 129.7 (d, J = 2.9 Hz), 128.5 (d, J = 7.3 Hz), 128.3, 128.3, 127.7, 126.6 (d, J = 7.6 Hz), 126.5, 105.8 (d, J = 6.1 Hz), 100.1, 83.2 (d, J = 32.9 Hz), 32.2, 28.7, 25.1 | null | [(176.2, None, None), (158.5, 'd', 268.2), (133.5, None, None), (132.8, 'd', 1.6), (129.7, 'd', 2.9), (128.5, 'd', 7.3), (128.3, None, None), (128.3, None, None), (127.7, None, None), (126.6, 'd', 7.6), (126.5, None, None), (105.8, 'd', 6.1), (100.1, None, None), (83.2, 'd', 32.9), (32.2, None, None), (28.7, None, None... | 18 | 18 | 17 |
10.1021_acs.orglett.3c03788 | C=CCCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15405048 0.66289062 0.34982584 0.75039062] | [0.14921481 0.75742188 0.85052444 0.8984375 ] | 1H NMR | 400 MHz | CDCl3 | 7.94 (s, 1H), 7.80 (d, J = 8.8 Hz, 3H), 7.67 (d, J = 8.8 Hz, 1H), 7.50-7.42 (m, 2H), 6.10 (d, J = 40.0 Hz, 1H), 5.99-5.77 (m, 1H), 5.14-4.96 (m, 2H), 2.27-2.15 (m, 2H), 1.98 (s, 1H), 1.96-1.77 (m, 2H), 1.53 (s, 3H) | null | [('s', [], '1H', 7.94, 7.94), ('d', ['8.8Hz'], '3H', 7.8, 7.8), ('d', ['8.8Hz'], '1H', 7.67, 7.67), ('m', [], '2H', 7.5, 7.42), ('d', ['40.0Hz'], '1H', 6.1, 6.1), ('m', [], '1H', 5.99, 5.77), ('m', [], '2H', 5.14, 4.96), ('m', [], '2H', 2.27, 2.15), ('s', [], '1H', 1.98, 1.98), ('m', [], '2H', 1.96, 1.77), ('s', [], '3... | 19 | 14 | 19 |
10.1021_acs.orglett.3c03788 | C=CCCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15405048 0.66289062 0.34982584 0.75039062] | [0.14921481 0.75742188 0.85052444 0.8984375 ] | 19F NMR | 376 MHz | CDCl3 | -114.68 (d, J = 40.2 Hz, 1F) | null | [(-114.68, 'd', 40.2)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | C=CCCC(C)(O)/C(F)=C/c1ccc2ccccc2c1 | 18 | 18 | [0.15405048 0.66289062 0.34982584 0.75039062] | [0.14921481 0.75742188 0.85052444 0.8984375 ] | 13C NMR | 100 MHz | CDCl3 | 163.4 (d, J = 269.8 Hz), 138.3, 133.5, 132.4 (d, J = 1.6 Hz), 130.7 (d, J = 2.2 Hz), 128.0, 128.0, 127.7 (d, J = 7.2 Hz), 127.6, 126.7 (d, J = 7.5 Hz), 126.2, 126.0, 115.2, 104.5 (d, J = 6.6 Hz), 73.4 (d, J = 29.3 Hz), 38.7, 28.5, 26.5 | null | [(163.4, 'd', 269.8), (138.3, None, None), (133.5, None, None), (132.4, 'd', 1.6), (130.7, 'd', 2.2), (128.0, None, None), (128.0, None, None), (127.7, 'd', 7.2), (127.6, None, None), (126.7, 'd', 7.5), (126.2, None, None), (126.0, None, None), (115.2, None, None), (104.5, 'd', 6.6), (73.4, 'd', 29.3), (38.7, None, Non... | 18 | 18 | 18 |
10.1021_acs.orglett.3c03788 | CC(O)(/C(F)=C/c1ccc2ccccc2c1)C1CC1 | 19 | 19 | [0.15391232 0.12734375 0.33048318 0.19394531] | [0.15032011 0.2015625 0.85107709 0.34414062] | 1H NMR | 400 MHz | CDCl3 | 7.95 (s, 1H), 7.80 (d, J = 8.8 Hz, 3H), 7.68 (d, J = 8.8 Hz, 1H), 7.51-7.40 (m, 2H), 6.13 (d, J = 40.0 Hz, 1H), 1.74 (s, 1H), 1.51 (s, 3H), 1.30-1.23 (m, 1H), 0.54 (d, J = 7.2 Hz, 4H) | null | [('s', [], '1H', 7.95, 7.95), ('d', ['8.8Hz'], '3H', 7.8, 7.8), ('d', ['8.8Hz'], '1H', 7.68, 7.68), ('m', [], '2H', 7.51, 7.4), ('d', ['40.0Hz'], '1H', 6.13, 6.13), ('s', [], '1H', 1.74, 1.74), ('s', [], '3H', 1.51, 1.51), ('m', [], '1H', 1.3, 1.23), ('d', ['7.2Hz'], '4H', 0.54, 0.54)] | 17 | 12 | 17 |
10.1021_acs.orglett.3c03788 | CC(O)(/C(F)=C/c1ccc2ccccc2c1)C1CC1 | 19 | 19 | [0.15391232 0.12734375 0.33048318 0.19394531] | [0.15032011 0.2015625 0.85107709 0.34414062] | 19F NMR | 376 MHz | CDCl3 | -114.09 (d, J = 40.2 Hz, 1F) | null | [(-114.09, 'd', 40.2)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(O)(/C(F)=C/c1ccc2ccccc2c1)C1CC1 | 19 | 19 | [0.15391232 0.12734375 0.33048318 0.19394531] | [0.15032011 0.2015625 0.85107709 0.34414062] | 13C NMR | 100 MHz | CDCl3 | 162.7 (d, J = 266.9 Hz), 132.4, 131.4 (d, J = 1.6 Hz), 129.7 (d, J = 2.3 Hz), 127.0, 126.9, 126.7 (d, J = 7.5 Hz), 126.5, 125.7 (d, J = 7.7 Hz), 125.6, 125.1, 124.9, 103.2 (d, J = 6.9 Hz), 70.7 (d, J = 27.5 Hz), 24.2, 18.6, 0.1 (d, J = 13.9 Hz) | null | [(162.7, 'd', 266.9), (132.4, None, None), (131.4, 'd', 1.6), (129.7, 'd', 2.3), (127.0, None, None), (126.9, None, None), (126.7, 'd', 7.5), (126.5, None, None), (125.7, 'd', 7.7), (125.6, None, None), (125.1, None, None), (124.9, None, None), (103.2, 'd', 6.9), (70.7, 'd', 27.5), (24.2, None, None), (18.6, None, None... | 17 | 16 | 17 |
10.1021_acs.orglett.3c03788 | CC(O)(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 19 | 19 | [0.15391232 0.38554688 0.32937789 0.47226563] | [0.15087276 0.4796875 0.85107709 0.621875 ] | 1H NMR | 400 MHz | CDCl3 | 7.96 (s, 1H), 7.82-7.77 (m, 3H), 7.68 (d, J = 8.4 Hz, 1H), 7.61 (d, J = 7.6 Hz, 2H), 7.49-7.44 (m, 2H), 7.40 (t, J = 7.2 Hz, 2H), 7.37-7.30 (m, 1H), 6.18 (d, J = 39.6 Hz, 1H), 2.48 (s, 1H), 1.87 (s, 3H) | null | [('s', [], '1H', 7.96, 7.96), ('m', [], '3H', 7.82, 7.77), ('d', ['8.4Hz'], '1H', 7.68, 7.68), ('d', ['7.6Hz'], '2H', 7.61, 7.61), ('m', [], '2H', 7.49, 7.44), ('t', ['7.2Hz'], '2H', 7.4, 7.4), ('m', [], '1H', 7.37, 7.3), ('d', ['39.6Hz'], '1H', 6.18, 6.18), ('s', [], '1H', 2.48, 2.48), ('s', [], '3H', 1.87, 1.87)] | 17 | 13 | 17 |
10.1021_acs.orglett.3c03788 | CC(O)(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 19 | 19 | [0.15391232 0.38554688 0.32937789 0.47226563] | [0.15087276 0.4796875 0.85107709 0.621875 ] | 19F NMR | 376 MHz | CDCl3 | -113.49 (d, J = 39.5 Hz, 1F) | null | [(-113.49, 'd', 39.5)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(O)(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 19 | 19 | [0.15391232 0.38554688 0.32937789 0.47226563] | [0.15087276 0.4796875 0.85107709 0.621875 ] | 13C NMR | 100 MHz | CDCl3 | 162.6 (d, J = 267.3 Hz), 144.0, 133.5, 132.7 (d, J = 1.5 Hz), 130.5 (d, J = 2.6 Hz), 128.7, 128.2, 128.1, 128.0, 127.7, 126.8 (d, J = 7.6 Hz), 126.3, 126.2, 125.6, 105.9 (d, J = 7.3 Hz), 75.2 (d, J = 28.5 Hz), 27.7 | null | [(162.6, 'd', 267.3), (144.0, None, None), (133.5, None, None), (132.7, 'd', 1.5), (130.5, 'd', 2.6), (128.7, None, None), (128.2, None, None), (128.1, None, None), (128.0, None, None), (127.7, None, None), (126.8, 'd', 7.6), (126.3, None, None), (126.2, None, None), (125.6, None, None), (105.9, 'd', 7.3), (75.2, 'd', ... | 20 | 18 | 17 |
10.1021_acs.orglett.3c03788 | CCCCC(O)(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 19 | 19 | [0.15391232 0.6625 0.39044543 0.75 ] | [0.14921481 0.75742188 0.84997179 0.8796875 ] | 1H NMR | 400 MHz | CDCl3 | 7.88 (s, 1H), 7.75-7.69 (m, 2H), 7.60 (d, J = 8.4 Hz, 1H), 7.52 (d, J = 7.2 Hz, 2H), 7.41-7.36 (m, 1H), 7.32 (t, J = 7.6 Hz, 2H), 7.27-7.23 (m, 1H), 7.19 (s, 2H), 6.14 (d, J = 40.4 Hz, 1H), 2.22-2.11 (m, 1H), 2.09-1.96 (m, 1H), 1.42-1.22 (m, 4H), 0.84 (t, J = 6.8 Hz, 3H) | null | [('s', [], '1H', 7.88, 7.88), ('m', [], '2H', 7.75, 7.69), ('d', ['8.4Hz'], '1H', 7.6, 7.6), ('d', ['7.2Hz'], '2H', 7.52, 7.52), ('m', [], '1H', 7.41, 7.36), ('t', ['7.6Hz'], '2H', 7.32, 7.32), ('m', [], '1H', 7.27, 7.23), ('s', [], '2H', 7.19, 7.19), ('d', ['40.4Hz'], '1H', 6.14, 6.14), ('m', [], '1H', 2.22, 2.11), ('... | 23 | 16 | 22 |
10.1021_acs.orglett.3c03788 | CCCCC(O)(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 19 | 19 | [0.15391232 0.6625 0.39044543 0.75 ] | [0.14921481 0.75742188 0.84997179 0.8796875 ] | 19F NMR | 376 MHz | CDCl3 | -112.79 (d, J = 40.2 Hz, 1F) | null | [(-112.79, 'd', 40.2)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CCCCC(O)(/C(F)=C/c1ccc2ccccc2c1)c1ccccc1 | 19 | 19 | [0.15391232 0.6625 0.39044543 0.75 ] | [0.14921481 0.75742188 0.84997179 0.8796875 ] | 13C NMR | 100 MHz | CDCl3 | 162.4 (d, J = 268.8 Hz), 143.2, 133.6, 132.6 (d, J = 1.7 Hz), 130.7 (d, J = 2.6 Hz), 128.6, 128.3, 128.2, 128.1, 128.0 (d, J = 7.8 Hz), 127.9, 127.7, 127.2, 126.9 (d, J = 7.7 Hz), 126.3, 126.1, 125.8, 106.0 (d, J = 6.8 Hz), 81.8, 38.9, 25.7, 23.1, 14.2 | null | [(162.4, 'd', 268.8), (143.2, None, None), (133.6, None, None), (132.6, 'd', 1.7), (130.7, 'd', 2.6), (128.6, None, None), (128.3, None, None), (128.2, None, None), (128.1, None, None), (128.0, 'd', 7.8), (127.9, None, None), (127.7, None, None), (127.2, None, None), (126.9, 'd', 7.7), (126.3, None, None), (126.1, None... | 23 | 21 | 23 |
10.1021_acs.orglett.3c03788 | CC(C)(O)/C(F)=C/c1ccc(-c2ccccc2)cc1 | 20 | 20 | [0.15418864 0.55390625 0.34153613 0.63671875] | [0.15032011 0.64609375 0.85107709 0.77109375] | 1H NMR | 400 MHz | CDCl3 | 7.65-7.55 (m, 6H), 7.44 (t, J = 8.0 Hz, 2H), 7.35 (t, J = 7.2 Hz, 1H), 5.95 (d, J = 40.4 Hz, 1H), 1.91 (s, 1H), 1.53 (s, 6H) | null | [('m', [], '6H', 7.65, 7.55), ('t', ['8.0Hz'], '2H', 7.44, 7.44), ('t', ['7.2Hz'], '1H', 7.35, 7.35), ('d', ['40.4Hz'], '1H', 5.95, 5.95), ('s', [], '1H', 1.91, 1.91), ('s', [], '6H', 1.53, 1.53)] | 17 | 8 | 17 |
10.1021_acs.orglett.3c03788 | CC(C)(O)/C(F)=C/c1ccc(-c2ccccc2)cc1 | 20 | 20 | [0.15418864 0.55390625 0.34153613 0.63671875] | [0.15032011 0.64609375 0.85107709 0.77109375] | 19F NMR | 376 MHz | CDCl3 | -114.89 (d, J = 40.2 Hz, 1F) | null | [(-114.89, 'd', 40.2)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(C)(O)/C(F)=C/c1ccc(-c2ccccc2)cc1 | 20 | 20 | [0.15418864 0.55390625 0.34153613 0.63671875] | [0.15032011 0.64609375 0.85107709 0.77109375] | 13C NMR | 100 MHz | CDCl3 | 164.3 (d, J = 268.9 Hz), 140.8, 140.0 (d, J = 2.3 Hz), 132.3 (d, J = 2.3 Hz), 129.3, 129.2, 128.9, 127.5, 127.3, 127.1, 102.9 (d, J = 7.5 Hz), 71.1 (d, J = 28.7 Hz), 27.7 | null | [(164.3, 'd', 268.9), (140.8, None, None), (140.0, 'd', 2.3), (132.3, 'd', 2.3), (129.3, None, None), (129.2, None, None), (128.9, None, None), (127.5, None, None), (127.3, None, None), (127.1, None, None), (102.9, 'd', 7.5), (71.1, 'd', 28.7), (27.7, None, None)] | 17 | 12 | 13 |
10.1021_acs.orglett.3c03788 | CC(C)(C)/C=C/C(F)=C/c1ccc2ccccc2c1 | 23 | 23 | [0.15363599 0.11484375 0.37137909 0.16972656] | [0.15032011 0.18193359 0.84997179 0.28828125] | 1H NMR | 400 MHz | CDCl3 | 7.93 (s, 1H), 7.83-7.74 (m, 3H), 7.69 (dd, J = 8.4, 1.6 Hz, 1H), 7.46-7.41 (m, 2H), 6.22 (d, J = 16.0 Hz, 1H), 5.90 (dd, J = 25.6, 16.0 Hz, 1H), 5.74 (d, J = 38.8 Hz, 1H), 1.11 (s, 9H) | null | [('s', [], '1H', 7.93, 7.93), ('m', [], '3H', 7.83, 7.74), ('dd', ['8.4Hz', '1.6Hz'], '1H', 7.69, 7.69), ('m', [], '2H', 7.46, 7.41), ('d', ['16.0Hz'], '1H', 6.22, 6.22), ('dd', ['25.6Hz', '16.0Hz'], '1H', 5.9, 5.9), ('d', ['38.8Hz'], '1H', 5.74, 5.74), ('s', [], '9H', 1.11, 1.11)] | 19 | 11 | 19 |
10.1021_acs.orglett.3c03788 | CC(C)(C)/C=C/C(F)=C/c1ccc2ccccc2c1 | 23 | 23 | [0.15363599 0.11484375 0.37137909 0.16972656] | [0.15032011 0.18193359 0.84997179 0.28828125] | 19F NMR | 376 MHz | CDCl3 | -116.31 (dd, J = 38.7, 25.2 Hz, 1F) | null | [([-116.31, -116.31], 'dd', ['38.7Hz', '25.2Hz'])] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(C)(C)/C=C/C(F)=C/c1ccc2ccccc2c1 | 23 | 23 | [0.15363599 0.11484375 0.37137909 0.16972656] | [0.15032011 0.18193359 0.84997179 0.28828125] | 13C NMR | 100 MHz | CDCl3 | 157.5 (d, J = 259.1 Hz), 143.6 (d, J = 2.9 Hz), 133.6, 132.4 (d, J = 1.8 Hz), 131.7 (d, J = 3.3 Hz), 128.1, 128.0, 127.6 (d, J = 7.7 Hz), 127.6, 126.7 (d, J = 7.9 Hz), 126.2, 125.9, 118.1 (d, J = 22.4 Hz), 108.4 (d, J = 9.7 Hz), 33.4, 29.4 | null | [(157.5, 'd', 259.1), (143.6, 'd', 2.9), (133.6, None, None), (132.4, 'd', 1.8), (131.7, 'd', 3.3), (128.1, None, None), (128.0, None, None), (127.6, 'd', 7.7), (127.6, None, None), (126.7, 'd', 7.9), (126.2, None, None), (125.9, None, None), (118.1, 'd', 22.4), (108.4, 'd', 9.7), (33.4, None, None), (29.4, None, None)... | 18 | 16 | 16 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(=O)/C(F)=C/c1ccc2ccccc2c1 | 24 | 24 | [0.15363599 0.46328125 0.37137909 0.5234375 ] | [0.15032011 0.53320312 0.85162974 0.63789063] | 1H NMR | 400 MHz | CDCl3 | 8.07 (s, 1H), 7.85-7.71 (m, 4H), 7.47 (dd, J = 6.4, 3.2 Hz, 2H), 6.93 (dd, J = 36.8, 2.4 Hz, 1H), 2.61 (s, 2H), 1.05 (s, 9H) | null | [('s', [], '1H', 8.07, 8.07), ('m', [], '4H', 7.85, 7.71), ('dd', ['6.4Hz', '3.2Hz'], '2H', 7.47, 7.47), ('dd', ['36.8Hz', '2.4Hz'], '1H', 6.93, 6.93), ('s', [], '2H', 2.61, 2.61), ('s', [], '9H', 1.05, 1.05)] | 19 | 10 | 19 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(=O)/C(F)=C/c1ccc2ccccc2c1 | 24 | 24 | [0.15363599 0.46328125 0.37137909 0.5234375 ] | [0.15032011 0.53320312 0.85162974 0.63789063] | 19F NMR | 376 MHz | CDCl3 | -122.52 (d, J = 36.5 Hz, 1F) | null | [(-122.52, 'd', 36.5)] | 1 | 1 | 1 |
10.1021_acs.orglett.3c03788 | CC(C)(C)CC(=O)/C(F)=C/c1ccc2ccccc2c1 | 24 | 24 | [0.15363599 0.46328125 0.37137909 0.5234375 ] | [0.15032011 0.53320312 0.85162974 0.63789063] | 13C NMR | 100 MHz | CDCl3 | 195.0 (d, J = 32.1 Hz), 154.9 (d, J = 271.6 Hz), 133.8, 133.3, 131.4 (d, J = 8.4 Hz), 129.0 (d, J = 4.4 Hz), 128.7, 128.6, 127.8, 127.5, 127.2 (d, J = 8.4 Hz), 126.7, 115.1 (d, J = 6.0 Hz), 49.6, 32.0, 30.0 | null | [(195.0, 'd', 32.1), (154.9, 'd', 271.6), (133.8, None, None), (133.3, None, None), (131.4, 'd', 8.4), (129.0, 'd', 4.4), (128.7, None, None), (128.6, None, None), (127.8, None, None), (127.5, None, None), (127.2, 'd', 8.4), (126.7, None, None), (115.1, 'd', 6.0), (49.6, None, None), (32.0, None, None), (30.0, None, No... | 18 | 16 | 16 |
10.1021_acs.orglett.9b04506 | C(C#N)(OS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 | 2 | 2 | [0.44030333 0.1265625 0.55657171 0.18007814] | [0.11551012 0.34296876 0.35638789 0.35546879] | 1H NMR | 500 MHz | CDCl3 | 7.84-7.79 (m, 2H), 7.60-7.52 (m, 2H), 7.42-7.35 (m, 2H), 7.35-7.31 (m, 2H), 6.06 (s, 1H), 2.47 (s, 3H) | null | [('m', [], '2H', 7.84, 7.79), ('m', [], '2H', 7.6, 7.52), ('m', [], '2H', 7.42, 7.35), ('m', [], '2H', 7.35, 7.31), ('s', [], '1H', 6.06, 6.06), ('s', [], '3H', 2.47, 2.47)] | 12 | 6 | 12 |
10.1021_acs.orglett.9b04506 | C(C#N)(OS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 | 2 | 2 | [0.44030333 0.1265625 0.55657171 0.18007814] | [0.11551012 0.34296876 0.35638789 0.35546879] | 13C NMR | 125 MHz | CDCl3 | 146.5, 132.7, 132.3, 130.4, 129.6, 129.5, 128.3, 125.7, 114.3, 67.5, 21.9 | null | [(146.5, None, None), (132.7, None, None), (132.3, None, None), (130.4, None, None), (129.6, None, None), (129.5, None, None), (128.3, None, None), (125.7, None, None), (114.3, None, None), (67.5, None, None), (21.9, None, None)] | 15 | 11 | 11 |
10.1021_acs.orglett.9b04506 | C(C#N)(OS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 | 3 | 3 | [0.44485299 0.12597657 0.55101108 0.17929688] | [0.1167739 0.34062503 0.36447612 0.35234378] | 1H NMR | 500 MHz | CDCl3 | 7.82 (d, J = 8.4 Hz,2H), 7.47-7.45 (comp, 2H), 7.38 (app dt, J = 7.9, 0.7 Hz, 2H), 7.11 (dd, J = 8.8, 8.3 Hz, 2H), 6.08 (s, 1H), 2.47 (s, 3H) | null | [('d', ['8.4Hz'], '2H', 7.82, 7.82), ('m', [], '2H', 7.47, 7.45), ('app dt', ['7.9Hz', '0.7Hz'], '2H', 7.38, 7.38), ('dd', ['8.8Hz', '8.3Hz'], '2H', 7.11, 7.11), ('s', [], '1H', 6.08, 6.08), ('s', [], '3H', 2.47, 2.47)] | 12 | 6 | 12 |
10.1021_acs.orglett.9b04506 | C(C#N)(OS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1 | 3 | 3 | [0.44485299 0.12597657 0.55101108 0.17929688] | [0.1167739 0.34062503 0.36447612 0.35234378] | 13C NMR | 125 MHz | CDCl3 | 164.2 (d, JC-F = 252.1 Hz), 146.4, 132.4, 130.3 (d, JC-F = 9.1 Hz), 130.4, 128.3, 126.6 (d, JC-F = 3.4 Hz), 116.7 (d, JC-F = 22.3 Hz), 114.5, 67.5, 21.9 | null | [(164.2, 'd', 252.1), (146.4, None, None), (132.4, None, None), (130.3, 'd', 9.1), (130.4, None, None), (128.3, None, None), (126.6, 'd', 3.4), (116.7, 'd', 22.3), (114.5, None, None), (67.5, None, None), (21.9, None, None)] | 15 | 11 | 11 |
10.1021_acs.orglett.9b04506 | c1(C)ccc(C(C#N)OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 | 4 | 4 | [0.43878677 0.12666016 0.55707725 0.18056642] | [0.11525736 0.34296876 0.3634651 0.35546879] | 1H NMR | 500 MHz | CDCl3 | 7.87-7.83 (comp, 2H), 7.51 (d, J = 8.0 Hz, 1H), 7.41 (dd, J = 1.7, 0.8 Hz, 1H), 7.38-7.34 (comp, 2H), 7.19 (ddd, J = 8.0, 1.7, 0.8 Hz, 1H), 6.41 (s, 1H), 2.46 (s, 3H), 2.35 (s, 3H) | null | [('m', [], '2H', 7.87, 7.83), ('d', ['8.0Hz'], '1H', 7.51, 7.51), ('dd', ['1.7Hz', '0.8Hz'], '1H', 7.41, 7.41), ('m', [], '2H', 7.38, 7.34), ('ddd', ['8.0Hz', '1.7Hz', '0.8Hz'], '1H', 7.19, 7.19), ('s', [], '1H', 6.41, 6.41), ('s', [], '3H', 2.46, 2.46), ('s', [], '3H', 2.35, 2.35)] | 14 | 8 | 14 |
10.1021_acs.orglett.9b04506 | c1(C)ccc(C(C#N)OS(=O)(=O)c2ccc(C)cc2)c(Br)c1 | 4 | 4 | [0.43878677 0.12666016 0.55707725 0.18056642] | [0.11525736 0.34296876 0.3634651 0.35546879] | 13C NMR | 125 MHz | CDCl3 | 146.2, 143.5, 134.1, 132.4, 130.2, 129.9, 129.3, 128.5, 127.3, 123.0, 114.5, 67.5, 21.9, 21.1 | null | [(146.2, None, None), (143.5, None, None), (134.1, None, None), (132.4, None, None), (130.2, None, None), (129.9, None, None), (129.3, None, None), (128.5, None, None), (127.3, None, None), (123.0, None, None), (114.5, None, None), (67.5, None, None), (21.9, None, None), (21.1, None, None)] | 16 | 14 | 14 |
10.1021_acs.orglett.9b04506 | C(F)(F)(F)c1ccc(C(C#N)OS(=O)(=O)c2ccc(C)cc2)cc1 | 5 | 5 | [0.43727027 0.12666016 0.55909928 0.1801758 ] | [0.11652115 0.34101563 0.36472889 0.35351566] | 1H NMR | 500 MHz | CDCl3 | 7.82 (d, J = 8.2 Hz, 2H), 7.69 (d, J = 8.0 Hz, 2H), 7.60 (d, J = 8.0 Hz, 2H), 7.38 (d, J = 8.2 Hz, 2H), 6.16 (s, 1H), 2.47 (s, 3H) | null | [('d', ['8.2Hz'], '2H', 7.82, 7.82), ('d', ['8.0Hz'], '2H', 7.69, 7.69), ('d', ['8.0Hz'], '2H', 7.6, 7.6), ('d', ['8.2Hz'], '2H', 7.38, 7.38), ('s', [], '1H', 6.16, 6.16), ('s', [], '3H', 2.47, 2.47)] | 12 | 6 | 12 |
10.1021_acs.orglett.9b04506 | C(F)(F)(F)c1ccc(C(C#N)OS(=O)(=O)c2ccc(C)cc2)cc1 | 5 | 5 | [0.43727027 0.12666016 0.55909928 0.1801758 ] | [0.11652115 0.34101563 0.36472889 0.35351566] | 13C NMR | 125 MHz | CDCl3 | 146.6, 134.2, 133.1 (q, JC-F = 33.0 Hz), 132.1, 130.4, 128.4, 128.3, 126.5 (q, JC-F = 3.8 Hz), 123.4 (q, JC-F =272.6), 114.1, 67.3, 21.8 | null | [(146.6, None, None), (134.2, None, None), (133.1, 'q', 33.0), (132.1, None, None), (130.4, None, None), (128.4, None, None), (128.3, None, None), (126.5, 'q', 3.8), (123.4, 'q', 272.6), (114.1, None, None), (67.3, None, None), (21.8, None, None)] | 16 | 12 | 12 |
10.1021_acs.orglett.9b04506 | c1(C(C)(C)C)ccc(C(C#N)OS(=O)(=O)c2ccc(C)cc2)cc1 | 6 | 6 | [0.43727027 0.12675782 0.55909928 0.17910158] | [0.11576287 0.34101563 0.36447612 0.35351566] | 1H NMR | 500 MHz | CDCl3 | 7.80 (d, J = 8.3 Hz, 2H), 7.42 (d, J = 8.4 Hz, 2H), 7.39-7.33 (comp, 4H), 6.07 (s, 1H), 2.46 (s, 3H), 1.31 (s, 9H) | null | [('d', ['8.3Hz'], '2H', 7.8, 7.8), ('d', ['8.4Hz'], '2H', 7.42, 7.42), ('m', [], '4H', 7.39, 7.33), ('s', [], '1H', 6.07, 6.07), ('s', [], '3H', 2.46, 2.46), ('s', [], '9H', 1.31, 1.31)] | 21 | 7 | 21 |
10.1021_acs.orglett.9b04506 | c1(C(C)(C)C)ccc(C(C#N)OS(=O)(=O)c2ccc(C)cc2)cc1 | 6 | 6 | [0.43727027 0.12675782 0.55909928 0.17910158] | [0.11576287 0.34101563 0.36447612 0.35351566] | 13C NMR | 125 MHz | CDCl3 | 154.6, 146.1, 132.7, 130.2, 128.3, 128.0, 127.4, 126.4, 114.8, 68.3, 35.0, 31.3, 21.9 | null | [(154.6, None, None), (146.1, None, None), (132.7, None, None), (130.2, None, None), (128.3, None, None), (128.0, None, None), (127.4, None, None), (126.4, None, None), (114.8, None, None), (68.3, None, None), (35.0, None, None), (31.3, None, None), (21.9, None, None)] | 19 | 13 | 13 |
10.1021_acs.orglett.9b04506 | C(C#N)N(C)C(C#N)c1ccc(Br)cc1 | 7 | 7 | [0.42918202 0.1265625 0.56718754 0.17929688] | [0.11551012 0.32421875 0.36472889 0.33593754] | 1H NMR | 500 MHz | CDCl3 | 7.61-7.54 (m, 2H), 7.42-7.38 (m, 2H), 4.85 (s, 1H), 3.51-3.43 (comp, 2H), 2.49 (s, 3H) | null | [('m', [], '2H', 7.61, 7.54), ('m', [], '2H', 7.42, 7.38), ('s', [], '1H', 4.85, 4.85), ('m', [], '2H', 3.51, 3.43), ('s', [], '3H', 2.49, 2.49)] | 10 | 5 | 10 |
10.1021_acs.orglett.9b04506 | C(C#N)N(C)C(C#N)c1ccc(Br)cc1 | 7 | 7 | [0.42918202 0.1265625 0.56718754 0.17929688] | [0.11551012 0.32421875 0.36472889 0.33593754] | 13C NMR | 125 MHz | CDCl3 | 132.5, 131.1, 129.6, 124.1, 114.6, 114.3, 59.9, 42.2 | null | [(132.5, None, None), (131.1, None, None), (129.6, None, None), (124.1, None, None), (114.6, None, None), (114.3, None, None), (59.9, None, None), (42.2, None, None)] | 11 | 9 | 8 |
10.1021_acs.orglett.9b04506 | C(C#N)N(C)C(C#N)c1ccc(F)cc1 | 8 | 8 | [0.43069857 0.12587891 0.56415443 0.17919924] | [0.11652115 0.32421875 0.36472889 0.33593754] | 1H NMR | 500 MHz | CDCl3 | 7.59-7.46 (m, 2H), 7.20-7.06 (m, 2H), 4.87 (s, 1H), 3.50-3.43 (comp, 2H), 2.49 (s, 3H) | null | [('m', [], '2H', 7.59, 7.46), ('m', [], '2H', 7.2, 7.06), ('s', [], '1H', 4.87, 4.87), ('m', [], '2H', 3.5, 3.43), ('s', [], '3H', 2.49, 2.49)] | 10 | 5 | 10 |
10.1021_acs.orglett.9b04506 | C(#N)CN(C)C(C#N)c1ccc(C)cc1Br | 9 | 9 | [0.42766546 0.1265625 0.56920958 0.17929688] | [0.11652115 0.32402347 0.36472889 0.33574222] | 1H NMR | 500 MHz | CDCl3 | 7.50 (d, J = 7.9 Hz, 1H), 7.47 (dd, J = 1.8, 0.8 Hz, 1H), 7.20 (ddd, J = 7.9, 1.8, 0.8 Hz, 1H), 5.13 (s, 1H), 3.58-3.50 (comp, 2H), 2.49 (s, 3H), 2.36 (s, 3H) | null | [('d', ['7.9Hz'], '1H', 7.5, 7.5), ('dd', ['1.8Hz', '0.8Hz'], '1H', 7.47, 7.47), ('ddd', ['7.9Hz', '1.8Hz', '0.8Hz'], '1H', 7.2, 7.2), ('s', [], '1H', 5.13, 5.13), ('m', [], '2H', 3.58, 3.5), ('s', [], '3H', 2.49, 2.49), ('s', [], '3H', 2.36, 2.36)] | 12 | 7 | 12 |
10.1021_acs.orglett.9b04506 | C(#N)CN(C)C(C#N)c1ccc(C)cc1Br | 9 | 9 | [0.42766546 0.1265625 0.56920958 0.17929688] | [0.11652115 0.32402347 0.36472889 0.33574222] | 13C NMR | 125 MHz | CDCl3 | 142.1, 134.5, 129.8, 128.7, 128.4, 124.4, 114.5, 114.4, 59.6, 42.2, 38.6, 20.9 | null | [(142.1, None, None), (134.5, None, None), (129.8, None, None), (128.7, None, None), (128.4, None, None), (124.4, None, None), (114.5, None, None), (114.4, None, None), (59.6, None, None), (42.2, None, None), (38.6, None, None), (20.9, None, None)] | 12 | 12 | 12 |
10.1021_acs.orglett.9b04506 | C(C#N)N(C)C(C#N)c1ccc(C(F)(F)F)cc1 | 10 | 10 | [0.42362133 0.1265625 0.57224269 0.1794922 ] | [0.11475184 0.32441407 0.36397061 0.33652346] | 1H NMR | 500 MHz | CDCl3 | 7.72 (d, J = 8.3 Hz, 2H), 7.68 (d, J = 8.3 Hz, 2H), 4.97 (s, 1H), 3.63-3.40 (comp, 2H), 2.51 (s, 3H) | null | [('d', ['8.3Hz'], '2H', 7.72, 7.72), ('d', ['8.3Hz'], '2H', 7.68, 7.68), ('s', [], '1H', 4.97, 4.97), ('m', [], '2H', 3.63, 3.4), ('s', [], '3H', 2.51, 2.51)] | 10 | 5 | 10 |
10.1021_acs.orglett.9b04506 | C(C#N)N(C)C(C#N)c1ccc(C(F)(F)F)cc1 | 10 | 10 | [0.42362133 0.1265625 0.57224269 0.1794922 ] | [0.11475184 0.32441407 0.36397061 0.33652346] | 13C NMR | 125 MHz | CDCl3 | 136.0 (d, JC-F = 1.5 Hz), 132.2 (q, JC-F = 32.9 Hz), 128.5, 126.4 (q, JC-F = 3.8 Hz), 123.7 (q, JC-F = 272.1 Hz), 114.6, 114.1, 60.1, 42.5, 39.4 | null | [(136.0, 'd', 1.5), (132.2, 'q', 32.9), (128.5, None, None), (126.4, 'q', 3.8), (123.7, 'q', 272.1), (114.6, None, None), (114.1, None, None), (60.1, None, None), (42.5, None, None), (39.4, None, None)] | 12 | 10 | 10 |
10.1021_acs.orglett.9b04506 | C(#N)CN(C)C(C#N)c1ccc(C(C)(C)C)cc1 | 11 | 11 | [0.42463235 0.12646485 0.57123167 0.17919924] | [0.11576287 0.32421875 0.36498163 0.33593754] | 1H NMR | 500 MHz | CDCl3 | 7.48-7.41 (comp, 4H), 4.83 (s, 1H), 3.46-7.41 (comp, 2H), 2.54 (s, 3H), 1.33 (s, 9H) | null | [('m', [], '4H', 7.48, 7.41), ('s', [], '1H', 4.83, 4.83), ('m', [], '2H', 7.41, 3.46), ('s', [], '3H', 2.54, 2.54), ('s', [], '9H', 1.33, 1.33)] | 19 | 6 | 19 |
10.1021_acs.orglett.9b04506 | C(#N)CN(C)C(C#N)c1ccc(C(C)(C)C)cc1 | 11 | 11 | [0.42463235 0.12646485 0.57123167 0.17919924] | [0.11576287 0.32421875 0.36498163 0.33593754] | 13C NMR | 125 MHz | CDCl3 | 152.6, 128.9, 127.5, 125.9, 114.8, 114.7, 59.7, 41.8, 38.9, 34.4, 31.0 | null | [(152.6, None, None), (128.9, None, None), (127.5, None, None), (125.9, None, None), (114.8, None, None), (114.7, None, None), (59.7, None, None), (41.8, None, None), (38.9, None, None), (34.4, None, None), (31.0, None, None)] | 15 | 11 | 11 |
10.1021_acs.orglett.9b04506 | C(C#N)c1ccc(Br)cc1C=O | 12 | 12 | [0.44738056 0.12626954 0.54848351 0.17900392] | [0.11576287 0.32382815 0.36472889 0.33632814] | 1H NMR | 500 MHz | CDCl3 | 9.99 (s, 1H), 7.94 (d, J = 2.2 Hz, 1H), 7.75 (dd, J = 8.2, 2.2 Hz, 1H), 7.50 (d, J = 8.2 Hz, 1H), 4.17 (s, 2H) | null | [('s', [], '1H', 9.99, 9.99), ('d', ['2.2Hz'], '1H', 7.94, 7.94), ('dd', ['8.2Hz', '2.2Hz'], '1H', 7.75, 7.75), ('d', ['8.2Hz'], '1H', 7.5, 7.5), ('s', [], '2H', 4.17, 4.17)] | 6 | 5 | 6 |
10.1021_acs.orglett.9b04506 | C(C#N)c1ccc(F)cc1C=O | 13 | 13 | [0.45193018 0.12617188 0.54494486 0.17929688] | [0.11576287 0.32382815 0.36447612 0.33632814] | 1H NMR | 500 MHz | CDCl3 | 10.04 (s, 1H), 7.64 (dd, J = 8.3, 4.9 Hz, 1H), 7.56 (dd, J = 8.0, 2.8 Hz, 1H), 7.37 (app td, J = 8.3, 2.8 Hz, 1H), 4.21 (s, 2H) | null | [('s', [], '1H', 10.04, 10.04), ('dd', ['8.3Hz', '4.9Hz'], '1H', 7.64, 7.64), ('dd', ['8.0Hz', '2.8Hz'], '1H', 7.56, 7.56), ('app td', ['8.3Hz', '2.8Hz'], '1H', 7.37, 7.37), ('s', [], '2H', 4.21, 4.21)] | 6 | 5 | 6 |
10.1021_acs.orglett.9b04506 | C(C#N)c1ccc(F)cc1C=O | 13 | 13 | [0.45193018 0.12617188 0.54494486 0.17929688] | [0.11576287 0.32382815 0.36447612 0.33632814] | 13C NMR | 125 MHz | CDCl3 | 191.6 (d, JC-F = 1.6 Hz), 162.6 (d, JC-F = 251.1 Hz), 134.68 (d, JC-F = 5.5 Hz), 132.3 (d, JC-F = 7.4 Hz), 127.0 (d, JC-F = 3.8 Hz), 122.3 (d, JC-F = 22.2 Hz), 121.4 (d, JC-F = 21.3 Hz), 117.3, 21.6 | null | [(191.6, 'd', 1.6), (162.6, 'd', 251.1), (134.68, 'd', 5.5), (132.3, 'd', 7.4), (127.0, 'd', 3.8), (122.3, 'd', 22.2), (121.4, 'd', 21.3), (117.3, None, None), (21.6, None, None)] | 9 | 9 | 9 |
10.1021_acs.orglett.9b04506 | C(#N)Cc1c(Br)cc(C)cc1C=O | 14 | 14 | [0.44535848 0.1265625 0.55000001 0.17929688] | [0.11551012 0.32421875 0.36472889 0.33593754] | 1H NMR | 500 MHz | CDCl3 | 9.97 (s, 1H), 7.70 (d, J = 0.9 Hz, 1H), 7.60 (d, J = 0.9 Hz, 1H), 4.38 (s, 2H), 2.45 (s, 3H) | null | [('s', [], '1H', 9.97, 9.97), ('d', ['0.9Hz'], '1H', 7.7, 7.7), ('d', ['0.9Hz'], '1H', 7.6, 7.6), ('s', [], '2H', 4.38, 4.38), ('s', [], '3H', 2.45, 2.45)] | 8 | 5 | 8 |
10.1021_acs.orglett.9b04506 | C(#N)Cc1ccc(C(F)(F)F)cc1C=O | 15 | 15 | [0.44485299 0.12617188 0.5520221 0.17910158] | [0.11639477 0.32382815 0.36498163 0.33593754] | 1H NMR | 500 MHz | CDCl3 | 10.14 (s, 1H), 8.12 (d, J = 1.7 Hz, 1H), 7.93 (dd, J = 8.1, 1.7 Hz, 1H), 7.85 (d, J = 8.1 Hz, 1H), 4.34 (s, 2H) | null | [('s', [], '1H', 10.14, 10.14), ('d', ['1.7Hz'], '1H', 8.12, 8.12), ('dd', ['8.1Hz', '1.7Hz'], '1H', 7.93, 7.93), ('d', ['8.1Hz'], '1H', 7.85, 7.85), ('s', [], '2H', 4.34, 4.34)] | 6 | 5 | 6 |
10.1021_acs.orglett.9b04506 | C(#N)Cc1ccc(C(F)(F)F)cc1C=O | 15 | 15 | [0.44485299 0.12617188 0.5520221 0.17910158] | [0.11639477 0.32382815 0.36498163 0.33593754] | 13C NMR | 125 MHz | CDCl3 | 191.8, 135.11 (d, JC-F = 1.5 Hz), 133.4, 132.51 (q, JC-F = 3.6 Hz), 131.83 (q, JC-F = 33.9 Hz), 131.0, 130.91 (q, JC-F = 3.6 Hz), 123.2 (q, JC-F = 272.7 Hz), 116.7, 22.4 | null | [(191.8, None, None), (135.11, 'd', 1.5), (133.4, None, None), (132.51, 'q', 3.6), (131.83, 'q', 33.9), (131.0, None, None), (130.91, 'q', 3.6), (123.2, 'q', 272.7), (116.7, None, None), (22.4, None, None)] | 10 | 10 | 10 |
10.1021_acscatal.3c01413 | CC(C)(C)OC(=O)N1C(C)C=CC1=O | 2 | 2 | [0.74342204 0.21796876 0.81522357 0.26953127] | [0.07456314 0.29609376 0.92237353 0.92500004] | 1H NMR | 500 MHz | CDCl3 | 7.09 (dd, J = 6.0 Hz, 2.0 Hz, 1H), 6.05 (dd, J = 6.0 Hz, 1.6 Hz, 1H), 4.61 (qt, J = 6.7 Hz, 1.8 Hz, 1H), 1.55 (s, 9H), 1.43 (d, J = 6.7 Hz, 3H) | null | [('dd', ['6.0Hz', '2.0Hz'], '1H', 7.09, 7.09), ('dd', ['6.0Hz', '1.6Hz'], '1H', 6.05, 6.05), ('qt', ['6.7Hz', '1.8Hz'], '1H', 4.61, 4.61), ('s', [], '9H', 1.55, 1.55), ('d', ['6.7Hz'], '3H', 1.43, 1.43)] | 15 | 5 | 15 |
10.1021_acscatal.3c01413 | CC(C)(C)OC(=O)N1C(C)C=CC1=O | 2 | 2 | [0.74342204 0.21796876 0.81522357 0.26953127] | [0.07456314 0.29609376 0.92237353 0.92500004] | 13C NMR | 125 MHz | CDCl3 | 168.8, 151.7, 148.8, 125.1, 82.2, 57.9, 27.6, 17.7 | null | [(168.8, None, None), (151.7, None, None), (148.8, None, None), (125.1, None, None), (82.2, None, None), (57.9, None, None), (27.6, None, None), (17.7, None, None)] | 10 | 8 | 8 |
10.1021_acscatal.3c01413 | O=C(O)C(c1ccccc1)NC(C)=O | 3 | 3 | [0.52249425 0.66171881 0.65946949 0.71796879] | [0.07732473 0.75390632 0.92292587 0.89296876] | 1H NMR | 500 MHz | CDCl3 | 7.35 (t, J = 7.5 Hz, 2H), 7.30 (t, J = 7.2 Hz, 1H), 7.22 (d, J = 7.0 Hz, 2H), 7.19 (dd, J = 5.9 Hz, 2.2 Hz, 1H), 6.19 (dd, J = 6.0 Hz, 1.7 Hz, 1H), 5.73 (t, J =1.9 Hz, 1H), 2.52 (s, 3H) | null | [('t', ['7.5Hz'], '2H', 7.35, 7.35), ('t', ['7.2Hz'], '1H', 7.3, 7.3), ('d', ['7.0Hz'], '2H', 7.22, 7.22), ('dd', ['5.9Hz', '2.2Hz'], '1H', 7.19, 7.19), ('dd', ['6.0Hz', '1.7Hz'], '1H', 6.19, 6.19), ('t', ['1.9Hz'], '1H', 5.73, 5.73), ('s', [], '3H', 2.52, 2.52)] | 11 | 7 | 11 |
10.1021_acscatal.3c01413 | O=C(O)C(c1ccccc1)NC(C)=O | 3 | 3 | [0.52249425 0.66171881 0.65946949 0.71796879] | [0.07732473 0.75390632 0.92292587 0.89296876] | 13C NMR | 125 MHz | CDCl3 | 170.4, 169.2, 151.7, 134.9, 128.8, 128.4, 126.7, 125.0, 65.0, 24.8 | null | [(170.4, None, None), (169.2, None, None), (151.7, None, None), (134.9, None, None), (128.8, None, None), (128.4, None, None), (126.7, None, None), (125.0, None, None), (65.0, None, None), (24.8, None, None)] | 10 | 8 | 10 |
10.1021_acscatal.3c01413 | CC(C)(C)OC(=O)N1C(=O)C=CC1c1ccc(Br)cc1 | 5 | 5 | [0.33801954 0.32890628 0.44848346 0.41640626] | [0.07622009 0.17724611 0.92237353 0.31484376] | 1H NMR | 500 MHz | CDCl3 | 7.33 (d, J = 7.3 Hz, 2H), 7.14 (d, J = 7.6 Hz, 2H), 7.03 (d, J = 6.0 Hz, 1H), 6.17 (d, J = 5.9 Hz, 1H), 5.52 (s, 1H), 1.31 (s, 9H) | null | [('d', ['7.3Hz'], '2H', 7.33, 7.33), ('d', ['7.6Hz'], '2H', 7.14, 7.14), ('d', ['6.0Hz'], '1H', 7.03, 7.03), ('d', ['5.9Hz'], '1H', 6.17, 6.17), ('s', [], '1H', 5.52, 5.52), ('s', [], '9H', 1.31, 1.31)] | 16 | 6 | 16 |
10.1021_acscatal.3c01413 | CC(C)(C)OC(=O)N1C(=O)C=CC1c1ccc(Br)cc1 | 5 | 5 | [0.33801954 0.32890628 0.44848346 0.41640626] | [0.07622009 0.17724611 0.92237353 0.31484376] | 13C NMR | 125 MHz | CDCl3 | 169.4, 149.7, 148.5, 134.30, 134.28, 129.1, 127.9, 125.7, 83.2, 65.4, 27.8 | null | [(169.4, None, None), (149.7, None, None), (148.5, None, None), (134.3, None, None), (134.28, None, None), (129.1, None, None), (127.9, None, None), (125.7, None, None), (83.2, None, None), (65.4, None, None), (27.8, None, None)] | 15 | 11 | 11 |
10.1021_acscatal.3c01413 | CC(C)(C)OC(=O)N1C(=O)C=CC1c1cccs1 | 7 | 6 | [0.34492353 0.07954102 0.43384696 0.16347658] | [0.07622009 0.70390628 0.92126895 0.84140631] | 1H NMR | 600 MHz | CDCl3 | 7.31 (t, J = 4.0 Hz, 1H), 7.23 (s, 1H), 7.10 (dd, J = 5.9 Hz, 2.2 Hz, 1H), 6.91 (d, J = 4.8 Hz, 1H), 6.16 (d, J = 5.8 Hz, 1H), 5.72 (s, 1H), 1.35 (s, 9H) | null | [('t', ['4.0Hz'], '1H', 7.31, 7.31), ('s', [], '1H', 7.23, 7.23), ('dd', ['5.9Hz', '2.2Hz'], '1H', 7.1, 7.1), ('d', ['4.8Hz'], '1H', 6.91, 6.91), ('d', ['5.8Hz'], '1H', 6.16, 6.16), ('s', [], '1H', 5.72, 5.72), ('s', [], '9H', 1.35, 1.35)] | 15 | 7 | 15 |
10.1021_acscatal.3c01413 | CC(C)(C)OC(=O)N1C(=O)C=CC1c1cccs1 | 7 | 6 | [0.34492353 0.07954102 0.43384696 0.16347658] | [0.07622009 0.70390628 0.92126895 0.84140631] | 13C NMR | 150 MHz | CDCl3 | 169.2, 149.4, 148.6, 136.3, 126.4, 125.34, 125.26, 122.8, 82.7, 61.6, 27.7 | null | [(169.2, None, None), (149.4, None, None), (148.6, None, None), (136.3, None, None), (126.4, None, None), (125.34, None, None), (125.26, None, None), (122.8, None, None), (82.7, None, None), (61.6, None, None), (27.7, None, None)] | 13 | 11 | 11 |
10.1021_acs.orglett.4c00133 | CCCSC(SCC(=O)OCC)c1ccc(C)cc1 | 2 | 2 | [0.15133554 0.13203126 0.29963334 0.20703127] | [0.14857395 0.21992188 0.84836274 0.26953127] | 1H NMR | 600 MHz | CDCl3 | 7.33 (d, J = 7.8 Hz, 2H), 7.14 (d, J = 7.8 Hz, 2H), 5.09 (s, 1H), 4.15 (q, J = 7.2 Hz, 2H), 3.32 (d, J = 18.0 Hz, 1H), 3.08 (d, J = 12.0 Hz, 1H), 2.67-2.63 (m, 1H), 2.57-2.52 (m, 1H), 2.33 (s, 3H), 1.64-1.58 (m, 2H), 1.27 (t, J = 7.2 Hz, 3H), 0.96 (t, J = 7.2 Hz, 3H) | null | [('d', ['7.8Hz'], '2H', 7.33, 7.33), ('d', ['7.8Hz'], '2H', 7.14, 7.14), ('s', [], '1H', 5.09, 5.09), ('q', ['7.2Hz'], '2H', 4.15, 4.15), ('d', ['18.0Hz'], '1H', 3.32, 3.32), ('d', ['12.0Hz'], '1H', 3.08, 3.08), ('m', [], '1H', 2.67, 2.63), ('m', [], '1H', 2.57, 2.52), ('s', [], '3H', 2.33, 2.33), ('m', [], '2H', 1.64,... | 22 | 10 | 22 |
10.1021_acs.orglett.4c00133 | CCCSC(SCC(=O)OCC)c1ccc(C)cc1 | 2 | 2 | [0.15133554 0.13203126 0.29963334 0.20703127] | [0.14857395 0.21992188 0.84836274 0.26953127] | 13C NMR | 150 MHz | CDCl3 | 170.5, 138.1, 136.6, 129.4, 127.8, 61.4, 53.1, 34.7, 34.0, 22.7, 21.3, 14.3, 13.6 | null | [(170.5, None, None), (138.1, None, None), (136.6, None, None), (129.4, None, None), (127.8, None, None), (61.4, None, None), (53.1, None, None), (34.7, None, None), (34.0, None, None), (22.7, None, None), (21.3, None, None), (14.3, None, None), (13.6, None, None)] | 15 | 13 | 13 |
10.1021_acs.orglett.4c00133 | CCCSC(SCC(=O)OCC)c1ccccc1 | 2 | 2 | [0.14995474 0.41796879 0.26925577 0.48593752] | [0.14857395 0.49882815 0.84781045 0.54882816] | 1H NMR | 600 MHz | CDCl3 | 7.45 (d, J = 7.2 Hz, 2H), 7.33 (t, J = 7.8 Hz, 2H), 7.30-7.25 (m, 1H), 5.12 (s, 1H), 4.15 (q, J = 7.2 Hz, 2H), 3.33 (d, J = 15.0 Hz, 1H), 3.09 (d, J = 15.0 Hz, 1H), 2.68-2.64 (m, 1H), 2.58-2.53 (m, 1H), 1.68-1.58 (m, 2H), 1.27 (t, J = 7.2 Hz, 3H), 0.97 (t, J = 7.2 Hz, 3H) | null | [('d', ['7.2Hz'], '2H', 7.45, 7.45), ('t', ['7.8Hz'], '2H', 7.33, 7.33), ('m', [], '1H', 7.3, 7.25), ('s', [], '1H', 5.12, 5.12), ('q', ['7.2Hz'], '2H', 4.15, 4.15), ('d', ['15.0Hz'], '1H', 3.33, 3.33), ('d', ['15.0Hz'], '1H', 3.09, 3.09), ('m', [], '1H', 2.68, 2.64), ('m', [], '1H', 2.58, 2.53), ('m', [], '2H', 1.68, ... | 20 | 10 | 20 |
10.1021_acs.orglett.4c00133 | CCCSC(SCC(=O)OCC)c1ccccc1 | 2 | 2 | [0.14995474 0.41796879 0.26925577 0.48593752] | [0.14857395 0.49882815 0.84781045 0.54882816] | 13C NMR | 150 MHz | CDCl3 | 170.4, 139.7, 128.8, 128.3, 128.0, 61.5, 53.3, 34.7, 34.0, 22.7, 14.3, 13.6 | null | [(170.4, None, None), (139.7, None, None), (128.8, None, None), (128.3, None, None), (128.0, None, None), (61.5, None, None), (53.3, None, None), (34.7, None, None), (34.0, None, None), (22.7, None, None), (14.3, None, None), (13.6, None, None)] | 14 | 12 | 12 |
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