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.202100775 | c1ccc(CN2CC(=Cc3ccccc3)[C@@H](C[SiH](c3ccccc3)c3ccccc3)C2)cc1 | 5 | 5 | [0.15326867 0.77382814 0.3073658 0.83593757] | [0.14912627 0.85000001 0.84946742 0.90000006] | 1H NMR | 500 MHz | CDCl3 | 7.62 (tt, J = 7.9, 1.7 Hz, 4H), 7.45-7.30 (m, 13H), 7.19 (dd, J = 19.9, 7.5 Hz, 3H), 6.33 (d, J = 2.5 Hz, 1H), 4.99 (t, J = 3.9 Hz, 1H), 3.77-3.65 (m, 3H), 3.37 (d, J = 14.7 Hz, 1H), 3.09-3.06 (m, 1H), 3.00 (dd, J = 8.8, 6.7 Hz, 1H), 2.27 (t, J = 8.3 Hz, 1H), 1.77 (dt, J = 14.8, 4.5 Hz, 1H), 1.44 (ddd, J = 14.4, 10.2, ... | null | [('tt', ['7.9Hz', '1.7Hz'], '4H', 7.62, 7.62), ('m', [], '13H', 7.45, 7.3), ('dd', ['19.9Hz', '7.5Hz'], '3H', 7.19, 7.19), ('d', ['2.5Hz'], '1H', 6.33, 6.33), ('t', ['3.9Hz'], '1H', 4.99, 4.99), ('m', [], '3H', 3.77, 3.65), ('d', ['14.7Hz'], '1H', 3.37, 3.37), ('m', [], '1H', 3.09, 3.06), ('dd', ['8.8Hz', '6.7Hz'], '1H... | 31 | 16 | 31 |
10.1002_anie.202100775 | c1ccc(CN2CC(=Cc3ccccc3)[C@@H](C[SiH](c3ccccc3)c3ccccc3)C2)cc1 | 5 | 5 | [0.15326867 0.77382814 0.3073658 0.83593757] | [0.14912627 0.85000001 0.84946742 0.90000006] | 13C NMR | 126 MHz | CDCl3 | 148.0, 138.0, 137.9, 135.3, 135.2, 134.6, 134.4, 129.8, 129.7, 129.0, 128.4, 128.2, 128.0, 127.2, 126.9, 126.3, 121.1, 105.1, 60.8, 60.5, 58.0, 41.0, 17.3 | null | [(148.0, None, None), (138.0, None, None), (137.9, None, None), (135.3, None, None), (135.2, None, None), (134.6, None, None), (134.4, None, None), (129.8, None, None), (129.7, None, None), (129.0, None, None), (128.4, None, None), (128.2, None, None), (128.0, None, None), (127.2, None, None), (126.9, None, None), (126... | 31 | 19 | 23 |
10.1002_anie.202100775 | c1ccc(CN2CC(=Cc3ccccc3)[C@@H](C[SiH](c3ccccc3)c3ccccc3)C2)cc1 | 5 | 5 | [0.15326867 0.77382814 0.3073658 0.83593757] | [0.14912627 0.85000001 0.84946742 0.90000006] | 29Si NMR | 99 MHz | CDCl3 | -16.8 | null | [(-16.8, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2CC(=Cc3ccccc3)[C@@H](C[SiH](c3ccccc3)c3ccccc3)C2)cc1 | 6 | 6 | [0.15133554 0.44218753 0.30267108 0.52031253] | [0.1474693 0.51718752 0.84891508 0.69687506] | 1H NMR | 500 MHz | CDCl3 | 7.66-7.64 (m, 2H), 7.58 (ddd, J = 8.0, 3.3, 1.5 Hz, 4H), 7.48-7.45 (m, 2H), 7.42 (ddd, J = 8.2, 6.3, 1.5 Hz, 4H), 7.38-7.35 (m, 2H), 7.29-7.27 (m, 3H), 7.12-7.10 (m, 2H), 6.30 (d, J = 2.3 Hz, 1H), 4.97 (dd, J = 4.8, 3.2 Hz, 1H), 4.21 (dd, J = 14.9, 2.5 Hz, 1H), 4.03 (dt, J = 15.0, 2.2 Hz, 1H), 3.53 (dd, J = 9.4, 6.9 Hz... | null | [('m', [], '2H', 7.66, 7.64), ('ddd', ['8.0Hz', '3.3Hz', '1.5Hz'], '4H', 7.58, 7.58), ('m', [], '2H', 7.48, 7.45), ('ddd', ['8.2Hz', '6.3Hz', '1.5Hz'], '4H', 7.42, 7.42), ('m', [], '2H', 7.38, 7.35), ('m', [], '3H', 7.29, 7.27), ('m', [], '2H', 7.12, 7.1), ('d', ['2.3Hz'], '1H', 6.3, 6.3), ('dd', ['4.8Hz', '3.2Hz'], '1... | 31 | 15 | 31 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2CC(=Cc3ccccc3)[C@@H](C[SiH](c3ccccc3)c3ccccc3)C2)cc1 | 6 | 6 | [0.15133554 0.44218753 0.30267108 0.52031253] | [0.1474693 0.51718752 0.84891508 0.69687506] | 29Si NMR | 99 MHz | CDCl3 | -16.1 | null | [(-16.1, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(C(C)(C)C)cc3)C2)cc1 | 9 | 9 | [0.1516117 0.25898438 0.30294725 0.37226563] | [0.1474693 0.38574222 0.85167668 0.56562504] | 1H NMR | 500 MHz | CDCl3 | 7.66-7.65 (m, 2H), 7.58 (ddd, J = 7.9, 2.6, 1.5 Hz, 4H), 7.47-7.45 (m, 2H), 7.43-7.38 (m, 6H), 7.29-7.27 (m, 2H), 7.07-7.06 (m, 2H), 6.28 (d, J = 2.3 Hz, 1H), 4.97 (dd, J = 4.8, 3.2 Hz, 1H), 4.21 (ddd, J = 14.8, 2.5, 1.0 Hz, 1H), 4.04 (dt, J = 14.8, 2.2 Hz, 1H), 3.52 (dd, J = 9.3, 6.9 Hz, 1H), 2.90 (d, J = 8.8 Hz, 1H),... | null | [('m', [], '2H', 7.66, 7.65), ('ddd', ['7.9Hz', '2.6Hz', '1.5Hz'], '4H', 7.58, 7.58), ('m', [], '2H', 7.47, 7.45), ('m', [], '6H', 7.43, 7.38), ('m', [], '2H', 7.29, 7.27), ('m', [], '2H', 7.07, 7.06), ('d', ['2.3Hz'], '1H', 6.28, 6.28), ('dd', ['4.8Hz', '3.2Hz'], '1H', 4.97, 4.97), ('ddd', ['14.8Hz', '2.5Hz', '1.0Hz']... | 39 | 15 | 39 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(C(C)(C)C)cc3)C2)cc1 | 9 | 9 | [0.1516117 0.25898438 0.30294725 0.37226563] | [0.1474693 0.38574222 0.85167668 0.56562504] | 13C NMR | 126 MHz | CDCl3 | 150.2, 143.6, 141.5, 135.2, 134.4, 133.8, 133.7, 133.5, 133.1, 131.4, 130.0, 129.8, 128.4, 128.3, 128.0, 127.8, 125.6, 122.3, 53.9, 50.6, 41.0, 34.7, 31.4, 21.6, 16.0 | null | [(150.2, None, None), (143.6, None, None), (141.5, None, None), (135.2, None, None), (134.4, None, None), (133.8, None, None), (133.7, None, None), (133.5, None, None), (133.1, None, None), (131.4, None, None), (130.0, None, None), (129.8, None, None), (128.4, None, None), (128.3, None, None), (128.0, None, None), (127... | 35 | 21 | 25 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(C(C)(C)C)cc3)C2)cc1 | 9 | 9 | [0.1516117 0.25898438 0.30294725 0.37226563] | [0.1474693 0.38574222 0.85167668 0.56562504] | 29Si NMR | 99 MHz | CDCl3 | -16.2 | null | [(-16.2, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(C(F)(F)F)cc3)C2)cc1 | 10 | 10 | [0.1516117 0.66640626 0.3032234 0.77890631] | [0.14636467 0.79218754 0.85001971 0.90000006] | 1H NMR | 500 MHz | CDCl3 | 7.65 (d, J = 8.2 Hz, 2H), 7.57 (ddt, J = 6.7, 3.2, 1.4 Hz, 4H), 7.46-7.43 (m, 2H), 7.41-7.38 (m, 4H), 7.28 (d, J = 8.0 Hz, 2H), 7.19 (d, J = 8.1 Hz, 2H), 7.09 (d, J = 8.7 Hz, 2H), 6.27 (d, J = 2.0 Hz, 1H), 4.96 (dd, J = 4.6, 3.3 Hz, 1H), 4.15 (dd, J = 14.9, 1.8 Hz, 1H), 3.98 (d, J = 14.9 Hz, 1H), 3.52 (dd, J = 9.3, 6.9... | null | [('d', ['8.2Hz'], '2H', 7.65, 7.65), ('ddt', ['6.7Hz', '3.2Hz', '1.4Hz'], '4H', 7.57, 7.57), ('m', [], '2H', 7.46, 7.43), ('m', [], '4H', 7.41, 7.38), ('d', ['8.0Hz'], '2H', 7.28, 7.28), ('d', ['8.1Hz'], '2H', 7.19, 7.19), ('d', ['8.7Hz'], '2H', 7.09, 7.09), ('d', ['2.0Hz'], '1H', 6.27, 6.27), ('dd', ['4.6Hz', '3.3Hz']... | 30 | 14 | 30 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(C(F)(F)F)cc3)C2)cc1 | 10 | 10 | [0.1516117 0.66640626 0.3032234 0.77890631] | [0.14636467 0.79218754 0.85001971 0.90000006] | 13C NMR | 126 MHz | CDCl3 | 148.0, 143.8, 143.3, 135.2, 135.1, 133.6, 133.3, 133.0, 130.2, 130.0, 129.8, 129.5, 128.3, 128.3, 127.7, 121.3, 121.0, 120.6 (q, J = 257.3 Hz), 53.8, 50.4, 41.1, 21.6, 16.0 | null | [(148.0, None, None), (143.8, None, None), (143.3, None, None), (135.2, None, None), (135.1, None, None), (133.6, None, None), (133.3, None, None), (133.0, None, None), (130.2, None, None), (130.0, None, None), (129.8, None, None), (129.5, None, None), (128.3, None, None), (128.3, None, None), (127.7, None, None), (121... | 32 | 20 | 23 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(C(F)(F)F)cc3)C2)cc1 | 10 | 10 | [0.1516117 0.66640626 0.3032234 0.77890631] | [0.14636467 0.79218754 0.85001971 0.90000006] | 19F NMR | 377 MHz | CDCl3 | -57.74 (s, 3F) | null | [(-57.74, 's', None)] | 3 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(C(F)(F)F)cc3)C2)cc1 | 10 | 10 | [0.1516117 0.66640626 0.3032234 0.77890631] | [0.14636467 0.79218754 0.85001971 0.90000006] | 29Si NMR | 99 MHz | CDCl3 | -20.7 | null | [(-20.7, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cc(OC)ccc3)C2)cc1 | 13 | 13 | [0.15105939 0.6667969 0.30929893 0.76132818] | [0.14691699 0.77500006 0.85057205 0.90000006] | 1H NMR | 500 MHz | CDCl3 | 7.66-7.64 (m, 2H), 7.59 (ddt, J = 6.6, 3.5, 1.5 Hz, 4H), 7.47-7.45 (m, 2H), 7.42 (tq, J = 6.6, 1.3 Hz, 4H), 7.30-7.27 (m, 3H), 6.83-6.80 (m, 1H), 6.71-6.70 (m, 1H), 6.64 (t, J = 2.2 Hz, 1H), 6.27 (q, J = 2.4 Hz, 1H), 4.97 (dd, J = 4.8, 3.2 Hz, 1H), 4.20 (dd, J = 14.7, 2.3 Hz, 1H), 4.03 (dt, J = 14.9, 2.3 Hz, 1H), 3.84 ... | null | [('m', [], '2H', 7.66, 7.64), ('ddt', ['6.6Hz', '3.5Hz', '1.5Hz'], '4H', 7.59, 7.59), ('m', [], '2H', 7.47, 7.45), ('tq', ['6.6Hz', '1.3Hz'], '4H', 7.42, 7.42), ('m', [], '3H', 7.3, 7.27), ('m', [], '1H', 6.83, 6.8), ('m', [], '1H', 6.71, 6.7), ('t', ['2.2Hz'], '1H', 6.64, 6.64), ('q', ['2.4Hz'], '1H', 6.27, 6.27), ('d... | 33 | 17 | 33 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cc(OC)ccc3)C2)cc1 | 13 | 13 | [0.15105939 0.6667969 0.30929893 0.76132818] | [0.14691699 0.77500006 0.85057205 0.90000006] | 13C NMR | 126 MHz | CDCl3 | 159.8, 143.6, 142.7, 137.9, 135.2, 133.7, 133.4, 133.1, 130.0, 129.8, 129.6, 128.4, 128.3, 127.8, 122.5, 120.6, 114.1, 112.5, 55.3, 53.8, 50.5, 41.1, 21.6, 16.0 | null | [(159.8, None, None), (143.6, None, None), (142.7, None, None), (137.9, None, None), (135.2, None, None), (133.7, None, None), (133.4, None, None), (133.1, None, None), (130.0, None, None), (129.8, None, None), (129.6, None, None), (128.4, None, None), (128.3, None, None), (127.8, None, None), (122.5, None, None), (120... | 32 | 22 | 24 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cc(OC)ccc3)C2)cc1 | 13 | 13 | [0.15105939 0.6667969 0.30929893 0.76132818] | [0.14691699 0.77500006 0.85057205 0.90000006] | 29Si NMR | 99 MHz | CDCl3 | -16.2 | null | [(-16.2, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C/C(=C\c3cccc(C)c3)[C@@H](C[SiH](c3ccccc3)c3ccccc3)C2)cc1 | 14 | 14 | [0.1516117 0.38867191 0.30294725 0.48242191] | [0.14857395 0.49609379 0.84946742 0.69453129] | 1H NMR | 500 MHz | CDCl3 | 7.65-7.64 (m, 2H), 7.58 (ddd, J = 7.9, 3.1, 1.4 Hz, 4H), 7.48-7.45 (m, 2H), 7.41 (td, J = 6.9, 1.3 Hz, 4H), 7.29-7.24 (m, 3H), 7.08 (d, J = 7.5 Hz, 1H), 6.91 (d, J = 7.4 Hz, 2H), 6.27 (q, J = 2.4 Hz, 1H), 4.96 (dd, J = 4.8, 3.2 Hz, 1H), 4.20 (dd, J = 15.0, 2.4 Hz, 1H), 4.03 (dt, J = 15.0, 2.2 Hz, 1H), 3.52 (dd, J = 9.3... | null | [('m', [], '2H', 7.65, 7.64), ('ddd', ['7.9Hz', '3.1Hz', '1.4Hz'], '4H', 7.58, 7.58), ('m', [], '2H', 7.48, 7.45), ('td', ['6.9Hz', '1.3Hz'], '4H', 7.41, 7.41), ('m', [], '3H', 7.29, 7.24), ('d', ['7.5Hz'], '1H', 7.08, 7.08), ('d', ['7.4Hz'], '2H', 6.91, 6.91), ('q', ['2.4Hz'], '1H', 6.27, 6.27), ('dd', ['4.8Hz', '3.2H... | 33 | 17 | 33 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C/C(=C\c3cccc(C)c3)[C@@H](C[SiH](c3ccccc3)c3ccccc3)C2)cc1 | 14 | 14 | [0.1516117 0.38867191 0.30294725 0.48242191] | [0.14857395 0.49609379 0.84946742 0.69453129] | 13C NMR | 126 MHz | CDCl3 | 143.6, 142.0, 138.2, 136.4, 135.3, 133.8, 133.5, 133.2, 130.0, 129.8, 129.1, 128.5, 128.4, 128.3, 128.0, 127.8, 125.2, 122.7, 53.9, 50.5, 41.1, 21.6, 21.6, 16.0 | null | [(143.6, None, None), (142.0, None, None), (138.2, None, None), (136.4, None, None), (135.3, None, None), (133.8, None, None), (133.5, None, None), (133.2, None, None), (130.0, None, None), (129.8, None, None), (129.1, None, None), (128.5, None, None), (128.4, None, None), (128.3, None, None), (128.0, None, None), (127... | 32 | 22 | 24 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C/C(=C\c3cccc(C)c3)[C@@H](C[SiH](c3ccccc3)c3ccccc3)C2)cc1 | 14 | 14 | [0.1516117 0.38867191 0.30294725 0.48242191] | [0.14857395 0.49609379 0.84946742 0.69453129] | 29Si NMR | 99 MHz | CDCl3 | -16.2 | null | [(-16.2, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccc(C(F)(F)F)c3)C2)cc1 | 15 | 15 | [0.15078323 0.62890625 0.3018426 0.72421881] | [0.14802163 0.73750004 0.85057205 0.90000006] | 1H NMR | 500 MHz | CDCl3 | 7.67 (d, J = 8.0 Hz, 2H), 7.59 (ddd, J = 8.1, 5.1, 1.6 Hz, 4H), 7.51 (t, J = 7.6 Hz, 2H), 7.47 (dd, J = 7.8, 5.4 Hz, 3H), 7.42 (ddd, J = 8.4, 6.3, 1.9 Hz, 4H), 7.30 (d, J = 7.7 Hz, 2H), 7.25 (d, J = 7.5 Hz, 1H), 6.33 (q, J = 2.4 Hz, 1H), 4.99 (dd, J = 4.8, 3.2 Hz, 1H), 4.17 (dd, J = 14.9, 2.4 Hz, 1H), 4.00 (dt, J = 14.... | null | [('d', ['8.0Hz'], '2H', 7.67, 7.67), ('ddd', ['8.1Hz', '5.1Hz', '1.6Hz'], '4H', 7.59, 7.59), ('t', ['7.6Hz'], '2H', 7.51, 7.51), ('dd', ['7.8Hz', '5.4Hz'], '3H', 7.47, 7.47), ('ddd', ['8.4Hz', '6.3Hz', '1.9Hz'], '4H', 7.42, 7.42), ('d', ['7.7Hz'], '2H', 7.3, 7.3), ('d', ['7.5Hz'], '1H', 7.25, 7.25), ('q', ['2.4Hz'], '1... | 30 | 16 | 30 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccc(C(F)(F)F)c3)C2)cc1 | 15 | 15 | [0.15078323 0.62890625 0.3018426 0.72421881] | [0.14802163 0.73750004 0.85057205 0.90000006] | 13C NMR | 126 MHz | CDCl3 | 144.4, 143.8, 137.2, 135.1, 133.6, 133.3, 131.8 (t, J = 219.0 Hz), 130.9, 130.8, 130.1, 129.9, 129.1, 128.4, 128.3, 128.1, 127.8, 127.7, 125.1 (d, J = 4.0 Hz), 123.7 (d, J = 3.8 Hz), 123.0, 121.5, 53.8, 50.3, 41.2, 21.6, 16.0 | null | [(144.4, None, None), (143.8, None, None), (137.2, None, None), (135.1, None, None), (133.6, None, None), (133.3, None, None), (131.8, 't', 219.0), (130.9, None, None), (130.8, None, None), (130.1, None, None), (129.9, None, None), (129.1, None, None), (128.4, None, None), (128.3, None, None), (128.1, None, None), (127... | 32 | 22 | 26 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccc(C(F)(F)F)c3)C2)cc1 | 15 | 15 | [0.15078323 0.62890625 0.3018426 0.72421881] | [0.14802163 0.73750004 0.85057205 0.90000006] | 19F NMR | 377 MHz | CDCl3 | -62.73 (s, 3F) | null | [(-62.73, 's', None)] | 3 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccc(C(F)(F)F)c3)C2)cc1 | 15 | 15 | [0.15078323 0.62890625 0.3018426 0.72421881] | [0.14802163 0.73750004 0.85057205 0.90000006] | 29Si NMR | 99 MHz | CDCl3 | -15.3 | null | [(-15.3, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc4c(c3)OCO4)C2)cc1 | 17 | 17 | [0.1516117 0.11132813 0.30294725 0.22246095] | [0.14802163 0.23593752 0.85167668 0.43593751] | 1H NMR | 500 MHz | CDCl3 | 7.63-7.61 (m, 2H), 7.54 (ddt, J = 6.6, 2.8, 1.5 Hz, 4H), 7.43-7.41 (m, 2H), 7.38 (tq, J = 6.6, 1.1 Hz, 4H), 7.25 (d, J = 2.2 Hz, 2H), 6.77 (d, J = 8.4 Hz, 1H), 6.54 (d, J = 7.7 Hz, 2H), 6.16 (d, J = 2.2 Hz, 1H), 5.97 (d, J = 1.6 Hz, 2H), 4.92 (dd, J = 4.8, 3.2 Hz, 1H), 4.10-4.09 (m, 1H), 3.95 (dt, J = 14.8, 2.3 Hz, 1H)... | null | [('m', [], '2H', 7.63, 7.61), ('ddt', ['6.6Hz', '2.8Hz', '1.5Hz'], '4H', 7.54, 7.54), ('m', [], '2H', 7.43, 7.41), ('tq', ['6.6Hz', '1.1Hz'], '4H', 7.38, 7.38), ('d', ['2.2Hz'], '2H', 7.25, 7.25), ('d', ['8.4Hz'], '1H', 6.77, 6.77), ('d', ['7.7Hz'], '2H', 6.54, 6.54), ('d', ['2.2Hz'], '1H', 6.16, 6.16), ('d', ['1.6Hz']... | 31 | 16 | 31 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc4c(c3)OCO4)C2)cc1 | 17 | 17 | [0.1516117 0.11132813 0.30294725 0.22246095] | [0.14802163 0.23593752 0.85167668 0.43593751] | 29Si NMR | 99 MHz | CDCl3 | -16.4 | null | [(-16.4, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(Br)cc3)C2)cc1 | 17 | 17 | [0.15188787 0.66484378 0.29880486 0.77890631] | [0.14802163 0.79335939 0.85167668 0.90000006] | 1H NMR | 500 MHz | CDCl3 | 7.66-7.64 (m, 2H), 7.57 (ddd, J = 8.0, 3.7, 1.4 Hz, 4H), 7.48-7.45 (m, 4H), 7.44-7.39 (m, 4H), 7.29-7.28 (m, 2H), 6.94 (d, J = 8.7 Hz, 2H), 6.22 (q, J = 2.4 Hz, 1H), 4.96 (dd, J = 4.9, 3.2 Hz, 1H), 4.14 (ddd, J = 15.0, 2.6, 0.9 Hz, 1H), 3.96 (dt, J = 14.8, 2.2 Hz, 1H), 3.52 (dd, J = 9.3, 6.9 Hz, 1H), 2.91 (dddd, J = 9.... | null | [('m', [], '2H', 7.66, 7.64), ('ddd', ['8.0Hz', '3.7Hz', '1.4Hz'], '4H', 7.57, 7.57), ('m', [], '4H', 7.48, 7.45), ('m', [], '4H', 7.44, 7.39), ('m', [], '2H', 7.29, 7.28), ('d', ['8.7Hz'], '2H', 6.94, 6.94), ('q', ['2.4Hz'], '1H', 6.22, 6.22), ('dd', ['4.9Hz', '3.2Hz'], '1H', 4.96, 4.96), ('ddd', ['15.0Hz', '2.6Hz', '... | 30 | 14 | 30 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(Br)cc3)C2)cc1 | 17 | 17 | [0.15188787 0.66484378 0.29880486 0.77890631] | [0.14802163 0.79335939 0.85167668 0.90000006] | 13C NMR | 126 MHz | CDCl3 | 143.8, 143.2, 135.4, 135.1, 134.4, 133.6, 133.3, 133.0, 131.7, 130.1, 129.8, 129.7, 128.4, 128.3, 128.2, 127.8, 121.6, 121.1, 53.8, 50.4, 41.2, 21.6, 15.9 | null | [(143.8, None, None), (143.2, None, None), (135.4, None, None), (135.1, None, None), (134.4, None, None), (133.6, None, None), (133.3, None, None), (133.0, None, None), (131.7, None, None), (130.1, None, None), (129.8, None, None), (129.7, None, None), (128.4, None, None), (128.3, None, None), (128.2, None, None), (127... | 31 | 19 | 23 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccc(Br)cc3)C2)cc1 | 17 | 17 | [0.15188787 0.66484378 0.29880486 0.77890631] | [0.14802163 0.79335939 0.85167668 0.90000006] | 29Si NMR | 99 MHz | CDCl3 | -16.2 | null | [(-16.2, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccc4ccccc34)C2)cc1 | 20 | 20 | [0.1516117 0.62929689 0.30294725 0.72226568] | [0.14802163 0.73476564 0.85057205 0.90000006] | 1H NMR | 500 MHz | CDCl3 | 7.89-7.79 (m, 3H), 7.63 (ddd, J = 8.0, 2.6, 1.5 Hz, 4H), 7.58-7.56 (m, 2H), 7.52-7.42 (m, 9H), 7.20-7.18 (m, 2H), 7.12 (dt, J = 7.1, 1.0 Hz, 1H), 6.89 (d, J = 2.5 Hz, 1H), 5.05 (dd, J = 4.9, 3.2 Hz, 1H), 4.08 (ddd, J = 14.8, 2.4, 0.8 Hz, 1H), 3.95-3.86 (m, 1H), 3.63 (dd, J = 9.6, 7.1 Hz, 1H), 3.01 (ddd, J = 7.3, 4.9, 2... | null | [('m', [], '3H', 7.89, 7.79), ('ddd', ['8.0Hz', '2.6Hz', '1.5Hz'], '4H', 7.63, 7.63), ('m', [], '2H', 7.58, 7.56), ('m', [], '9H', 7.52, 7.42), ('m', [], '2H', 7.2, 7.18), ('dt', ['7.1Hz', '1.0Hz'], '1H', 7.12, 7.12), ('d', ['2.5Hz'], '1H', 6.89, 6.89), ('dd', ['4.9Hz', '3.2Hz'], '1H', 5.05, 5.05), ('ddd', ['14.8Hz', '... | 33 | 19 | 33 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccc4ccccc34)C2)cc1 | 20 | 20 | [0.1516117 0.62929689 0.30294725 0.72226568] | [0.14802163 0.73476564 0.85057205 0.90000006] | 29Si NMR | 99 MHz | CDCl3 | -16.1 | null | [(-16.1, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccc(C#N)c3)C2)cc1 | 21 | 21 | [0.1516117 0.3511719 0.3032234 0.44570314] | [0.14857395 0.45937501 0.85057205 0.65781256] | 1H NMR | 500 MHz | CDCl3 | 7.65 (d, J = 8.2 Hz, 2H), 7.57-7.52 (m, 5H), 7.45 (dt, J = 7.8, 4.4 Hz, 3H), 7.42-7.39 (m, 4H), 7.31-7.26 (m, 4H), 6.25 (d, J = 2.1 Hz, 1H), 4.95 (dd, J = 4.6, 3.3 Hz, 1H), 4.10 (dd, J = 15.0, 2.2 Hz, 1H), 3.94 (dt, J = 15.0, 2.0 Hz, 1H), 3.52 (dd, J = 9.4, 6.9 Hz, 1H), 2.94 (q, J = 7.1 Hz, 1H), 2.86 (dd, J = 9.4, 7.5 ... | null | [('d', ['8.2Hz'], '2H', 7.65, 7.65), ('m', [], '5H', 7.57, 7.52), ('dt', ['7.8Hz', '4.4Hz'], '3H', 7.45, 7.45), ('m', [], '4H', 7.42, 7.39), ('m', [], '4H', 7.31, 7.26), ('d', ['2.1Hz'], '1H', 6.25, 6.25), ('dd', ['4.6Hz', '3.3Hz'], '1H', 4.95, 4.95), ('dd', ['15.0Hz', '2.2Hz'], '1H', 4.1, 4.1), ('dt', ['15.0Hz', '2.0H... | 30 | 16 | 30 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccc(C#N)c3)C2)cc1 | 21 | 21 | [0.1516117 0.3511719 0.3032234 0.44570314] | [0.14857395 0.45937501 0.85057205 0.65781256] | 29Si NMR | 99 MHz | CDCl3 | -16.3 | null | [(-16.3, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | [SiH](C[C@H]1CN(S(c2ccc(C)cc2)(=O)=O)C/C1=C\c1cccs1)(c1ccccc1)c1ccccc1 | 22 | 22 | [0.15078323 0.11523438 0.30156646 0.19882813] | [0.14802163 0.21308594 0.84946742 0.39863282] | 1H NMR | 500 MHz | CDCl3 | 7.68-7.66 (m, 2H), 7.58 (tt, J = 6.0, 1.5 Hz, 4H), 7.46-7.45 (m, 2H), 7.43-7.39 (m, 4H), 7.31-7.28 (m, 3H), 7.04 (dd, J = 5.1, 3.5 Hz, 1H), 6.86 (d, J = 3.6 Hz, 1H), 6.47 (d, J = 2.4 Hz, 1H), 4.97-4.95 (m, 1H), 4.17 (ddd, J = 15.4, 2.6, 1.3 Hz, 1H), 3.99-3.96 (m, 1H), 3.56 (dd, J = 9.3, 6.9 Hz, 1H), 2.95-2.92 (m, 1H), ... | null | [('m', [], '2H', 7.68, 7.66), ('tt', ['6.0Hz', '1.5Hz'], '4H', 7.58, 7.58), ('m', [], '2H', 7.46, 7.45), ('m', [], '4H', 7.43, 7.39), ('m', [], '3H', 7.31, 7.28), ('dd', ['5.1Hz', '3.5Hz'], '1H', 7.04, 7.04), ('d', ['3.6Hz'], '1H', 6.86, 6.86), ('d', ['2.4Hz'], '1H', 6.47, 6.47), ('m', [], '1H', 4.97, 4.95), ('ddd', ['... | 29 | 15 | 29 |
10.1002_anie.202100775 | [SiH](C[C@H]1CN(S(c2ccc(C)cc2)(=O)=O)C/C1=C\c1cccs1)(c1ccccc1)c1ccccc1 | 22 | 22 | [0.15078323 0.11523438 0.30156646 0.19882813] | [0.14802163 0.21308594 0.84946742 0.39863282] | 13C NMR | 126 MHz | CDCl3 | 143.8, 140.8, 140.2, 135.1, 134.4, 133.6, 133.3, 132.5, 130.1, 130.0, 129.8, 128.4, 128.3, 127.8, 127.5, 126.5, 125.7, 115.5, 54.4, 51.1, 40.6, 21.6, 15.8 | null | [(143.8, None, None), (140.8, None, None), (140.2, None, None), (135.1, None, None), (134.4, None, None), (133.6, None, None), (133.3, None, None), (132.5, None, None), (130.1, None, None), (130.0, None, None), (129.8, None, None), (128.4, None, None), (128.3, None, None), (127.8, None, None), (127.5, None, None), (126... | 29 | 19 | 23 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccsc3)C2)cc1 | 22 | 22 | [0.15105939 0.65156254 0.30129029 0.73750004] | [0.14912627 0.75312504 0.85057205 0.90000006] | 1H NMR | 500 MHz | CDCl3 | 7.66-7.64 (m, 2H), 7.57 (ddd, J = 8.0, 4.6, 1.5 Hz, 4H), 7.46-7.44 (m, 2H), 7.42-7.39 (m, 4H), 7.32 (dd, J = 5.0, 3.0 Hz, 1H), 7.28 (dd, J = 6.1, 1.9 Hz, 2H), 6.98 (dd, J = 3.1, 1.3 Hz, 1H), 6.95 (dd, J = 5.0, 1.3 Hz, 1H), 6.30 (d, J = 2.4 Hz, 1H), 4.95 (dd, J = 4.7, 3.2 Hz, 1H), 4.16 (ddd, J = 14.8, 2.7, 1.1 Hz, 1H), ... | null | [('m', [], '2H', 7.66, 7.64), ('ddd', ['8.0Hz', '4.6Hz', '1.5Hz'], '4H', 7.57, 7.57), ('m', [], '2H', 7.46, 7.44), ('m', [], '4H', 7.42, 7.39), ('dd', ['5.0Hz', '3.0Hz'], '1H', 7.32, 7.32), ('dd', ['6.1Hz', '1.9Hz'], '2H', 7.28, 7.28), ('dd', ['3.1Hz', '1.3Hz'], '1H', 6.98, 6.98), ('dd', ['5.0Hz', '1.3Hz'], '1H', 6.95,... | 29 | 15 | 29 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3ccsc3)C2)cc1 | 22 | 22 | [0.15105939 0.65156254 0.30129029 0.73750004] | [0.14912627 0.75312504 0.85057205 0.90000006] | 29Si NMR | 99 MHz | CDCl3 | -20.0 | null | [(-20.0, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccnc3)C2)cc1 | 23 | 23 | [0.1516117 0.39003908 0.29963334 0.48046879] | [0.14857395 0.4949219 0.85057205 0.67617189] | 1H NMR | 500 MHz | CDCl3 | 7.64-7.63 (m, 2H), 7.56 (ddd, J = 7.9, 4.9, 1.5 Hz, 4H), 7.45-7.44 (m, 3H), 7.39 (ddt, J = 10.1, 5.2, 1.6 Hz, 6H), 7.29-7.27 (m, 3H), 6.26-6.24 (m, 1H), 4.95 (dd, J = 4.9, 3.2 Hz, 1H), 4.15-4.12 (m, 1H), 3.95 (dt, J = 15.0, 2.3 Hz, 1H), 3.53 (dd, J = 9.5, 6.9 Hz, 1H), 2.95 (ddd, J = 7.4, 5.0, 2.3 Hz, 1H), 2.83 (dd, J =... | null | [('m', [], '2H', 7.64, 7.63), ('ddd', ['7.9Hz', '4.9Hz', '1.5Hz'], '4H', 7.56, 7.56), ('m', [], '3H', 7.45, 7.44), ('ddt', ['10.1Hz', '5.2Hz', '1.6Hz'], '6H', 7.39, 7.39), ('m', [], '3H', 7.29, 7.27), ('m', [], '1H', 6.26, 6.24), ('dd', ['4.9Hz', '3.2Hz'], '1H', 4.95, 4.95), ('m', [], '1H', 4.15, 4.12), ('dt', ['15.0Hz... | 30 | 16 | 30 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[SiH](c3ccccc3)c3ccccc3)/C(=C/c3cccnc3)C2)cc1 | 23 | 23 | [0.1516117 0.39003908 0.29963334 0.48046879] | [0.14857395 0.4949219 0.85057205 0.67617189] | 29Si NMR | 99 MHz | CDCl3 | -16.7 | null | [(-16.7, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | [SiH](C[C@@]1(C)CN(S(c2ccc(C)cc2)(=O)=O)C/C1=C\c1ccccc1)(c1ccccc1)c1ccccc1 | 24 | 24 | [0.1516117 0.64765629 0.30294725 0.74062501] | [0.14636467 0.75429689 0.85057205 0.89843757] | 1H NMR | 500 MHz | CDCl3 | 7.63-7.61 (m, 2H), 7.48 (ddt, J = 14.7, 6.6, 1.6 Hz, 4H), 7.40-7.27 (m, 10H), 7.23-7.19 (m, 1H), 6.92 (dd, J = 7.1, 1.7 Hz, 2H), 6.20 (s, 1H), 4.93 (t, J = 3.7 Hz, 1H), 4.03 (dd, J = 14.7, 2.4 Hz, 1H), 3.91 (dd, J = 14.7, 2.7 Hz, 1H), 3.13 (d, J = 9.1 Hz, 1H), 2.94 (d, J = 9.1 Hz, 1H), 2.40 (s, 3H), 1.67 (dd, J = 14.8,... | null | [('m', [], '2H', 7.63, 7.61), ('ddt', ['14.7Hz', '6.6Hz', '1.6Hz'], '4H', 7.48, 7.48), ('m', [], '10H', 7.4, 7.27), ('m', [], '1H', 7.23, 7.19), ('dd', ['7.1Hz', '1.7Hz'], '2H', 6.92, 6.92), ('s', [], '1H', 6.2, 6.2), ('t', ['3.7Hz'], '1H', 4.93, 4.93), ('dd', ['14.7Hz', '2.4Hz'], '1H', 4.03, 4.03), ('dd', ['14.7Hz', '... | 33 | 15 | 33 |
10.1002_anie.202100775 | [SiH](C[C@@]1(C)CN(S(c2ccc(C)cc2)(=O)=O)C/C1=C\c1ccccc1)(c1ccccc1)c1ccccc1 | 24 | 24 | [0.1516117 0.64765629 0.30294725 0.74062501] | [0.14636467 0.75429689 0.85057205 0.89843757] | 29Si NMR | 99 MHz | CDCl3 | -16.7 | null | [(-16.7, None, None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | [SiH](/C(=C/COC/C=C(/C)\C)/c1ccccc1)(c1ccccc1)c1ccccc1 | 30 | 30 | [0.15133554 0.24121096 0.35237984 0.28730469] | [0.14802163 0.18632814 0.84836274 0.21757814] | 1H NMR | 400 MHz | CDCl3 | 7.47-7.42 (m, 3H), 7.37-7.21 (m, 7H), 7.17-7.08 (m, 3H), 6.93-6.88 (m, 2H), 6.25 (t, J = 5.9 Hz, 1H), 5.21 (ddt, J = 7.0, 5.6, 1.5 Hz, 1H), 5.14 (s, 1H), 3.94 (d, J = 5.9 Hz, 2H), 3.78 (dt, J = 7.1, 0.9 Hz, 2H), 1.62 (d, J = 1.3 Hz, 3H), 1.52 (d, J = 1.5 Hz, 3H) | null | [('m', [], '3H', 7.47, 7.42), ('m', [], '7H', 7.37, 7.21), ('m', [], '3H', 7.17, 7.08), ('m', [], '2H', 6.93, 6.88), ('t', ['5.9Hz'], '1H', 6.25, 6.25), ('ddt', ['7.0Hz', '5.6Hz', '1.5Hz'], '1H', 5.21, 5.21), ('s', [], '1H', 5.14, 5.14), ('d', ['5.9Hz'], '2H', 3.94, 3.94), ('dt', ['7.1Hz', '0.9Hz'], '2H', 3.78, 3.78), ... | 28 | 12 | 28 |
10.1002_anie.202100775 | [SiH](/C(=C/COC/C=C(/C)\C)/c1ccccc1)(c1ccccc1)c1ccccc1 | 30 | 30 | [0.15133554 0.24121096 0.35237984 0.28730469] | [0.14802163 0.18632814 0.84836274 0.21757814] | 13C NMR | 101 MHz | CDCl3 | 143.8, 141.0, 140.7, 137.4, 135.9, 135.7, 133.0, 129.9, 128.6, 128.3, 128.2, 128.1, 128.0, 127.8, 126.4, 121.0, 68.1, 67.0, 25.9, 18.1 | null | [(143.8, None, None), (141.0, None, None), (140.7, None, None), (137.4, None, None), (135.9, None, None), (135.7, None, None), (133.0, None, None), (129.9, None, None), (128.6, None, None), (128.3, None, None), (128.2, None, None), (128.1, None, None), (128.0, None, None), (127.8, None, None), (126.4, None, None), (121... | 26 | 15 | 20 |
10.1002_anie.202100775 | [SiH](C[C@H]1CN([Ts])C/C1=C\c1ccc(C)cc1)(c1ccccc1)c1ccccc1 | 31 | 30 | [0.24191594 0.2591797 0.39435614 0.37285159] | [0.1474693 0.4761719 0.85057205 0.60585943] | 1H NMR | 400 MHz | CDCl3 | 7.47-7.41 (m, 3H), 7.31-7.22 (m, 6H), 7.19-7.12 (m, 3H), 7.09 (dd, J = 6.8, 2.2 Hz, 1H), 6.90 (dd, J = 5.7, 3.4 Hz, 2H), 6.24 (t, J = 5.9 Hz, 1H), 5.62-5.49 (m, 1H), 5.49-5.37 (m, 1H), 5.14 (d, J = 3.2 Hz, 1H), 3.93 (d, J = 5.9 Hz, 2H), 3.72 (d, J = 6.2 Hz, 2H), 1.57 (d, J = 6.2 Hz, 3H) | null | [('m', [], '3H', 7.47, 7.41), ('m', [], '6H', 7.31, 7.22), ('m', [], '3H', 7.19, 7.12), ('dd', ['6.8Hz', '2.2Hz'], '1H', 7.09, 7.09), ('dd', ['5.7Hz', '3.4Hz'], '2H', 6.9, 6.9), ('t', ['5.9Hz'], '1H', 6.24, 6.24), ('m', [], '1H', 5.62, 5.49), ('m', [], '1H', 5.49, 5.37), ('d', ['3.2Hz'], '1H', 5.14, 5.14), ('d', ['5.9H... | 26 | 12 | 26 |
10.1002_anie.202100775 | [SiH](C[C@H]1CN([Ts])C/C1=C\c1ccc(C)cc1)(c1ccccc1)c1ccccc1 | 31 | 30 | [0.24191594 0.2591797 0.39435614 0.37285159] | [0.1474693 0.4761719 0.85057205 0.60585943] | 13C NMR | 101 MHz | CDCl3 | 143.6, 141.1, 140.7, 135.9, 135.7, 135.3, 133.0, 130.1, 129.9, 128.6, 128.4, 128.3, 128.1, 127.8, 127.5, 126.5, 71.3, 67.9, 17.9 | null | [(143.6, None, None), (141.1, None, None), (140.7, None, None), (135.9, None, None), (135.7, None, None), (135.3, None, None), (133.0, None, None), (130.1, None, None), (129.9, None, None), (128.6, None, None), (128.4, None, None), (128.3, None, None), (128.1, None, None), (127.8, None, None), (127.5, None, None), (126... | 25 | 15 | 19 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(C)cc3)[C@@H](CO)C2)cc1 | 31 | 31 | [0.15133554 0.53671877 0.27229351 0.64765629] | [0.14912627 0.66171881 0.85167668 0.80703126] | 1H NMR | 500 MHz | CDCl3 | 7.72 (d, J = 8.2 Hz, 2H), 7.32 (d, J = 8.2 Hz, 2H), 7.15 (d, J = 8.0 Hz, 2H), 7.03 (d, J = 8.2 Hz, 2H), 6.32 (d, J = 2.0 Hz, 1H), 4.21 (dt, J = 14.8, 2.2 Hz, 1H), 3.99 (dd, J = 14.7, 2.6 Hz, 1H), 3.63 (dq, J = 7.4, 3.9, 3.3 Hz, 2H), 3.38 (dd, J = 9.6, 3.8 Hz, 1H), 3.26 (dd, J = 9.6, 6.9 Hz, 1H), 2.98-2.95 (m, 1H), 2.42... | null | [('d', ['8.2Hz'], '2H', 7.72, 7.72), ('d', ['8.2Hz'], '2H', 7.32, 7.32), ('d', ['8.0Hz'], '2H', 7.15, 7.15), ('d', ['8.2Hz'], '2H', 7.03, 7.03), ('d', ['2.0Hz'], '1H', 6.32, 6.32), ('dt', ['14.8Hz', '2.2Hz'], '1H', 4.21, 4.21), ('dd', ['14.7Hz', '2.6Hz'], '1H', 3.99, 3.99), ('dq', ['7.4Hz', '3.9Hz', '3.3Hz'], '2H', 3.6... | 23 | 12 | 23 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C/C(=C\c3ccc(C)cc3)[C@@H](CO)C2)cc1 | 31 | 31 | [0.15133554 0.53671877 0.27229351 0.64765629] | [0.14912627 0.66171881 0.85167668 0.80703126] | 13C NMR | 126 MHz | CDCl3 | 143.9, 137.4, 135.9, 133.5, 132.7, 129.9, 129.5, 128.2, 127.9, 124.7, 64.0, 50.8, 49.4, 47.6, 21.7, 21.3 | null | [(143.9, None, None), (137.4, None, None), (135.9, None, None), (133.5, None, None), (132.7, None, None), (129.9, None, None), (129.5, None, None), (128.2, None, None), (127.9, None, None), (124.7, None, None), (64.0, None, None), (50.8, None, None), (49.4, None, None), (47.6, None, None), (21.7, None, None), (21.3, No... | 20 | 16 | 16 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[Si](c3ccccc3)(c3ccccc3)F)/C(=C/c3ccc(C)cc3)C2)cc1 | 34 | 34 | [0.15216403 0.51718752 0.30073797 0.63125001] | [0.14691699 0.64531253 0.84946742 0.82578131] | 1H NMR | 500 MHz | CDCl3 | 7.64 (dddd, J = 9.5, 8.2, 6.1, 1.8 Hz, 6H), 7.55-7.51 (m, 2H), 7.46 (td, J = 7.3, 3.5 Hz, 4H), 7.29-7.27 (m, 2H), 7.17 (d, J = 8.2 Hz, 2H), 7.01 (d, J = 8.2 Hz, 2H), 6.26 (d, J = 2.4 Hz, 1H), 4.21 (dd, J = 15.0, 2.8 Hz, 1H), 4.02 (dt, J = 14.8, 2.3 Hz, 1H), 3.55 (ddd, J = 9.6, 7.0, 1.2 Hz, 1H), 2.96 (q, J = 5.0 Hz, 1H)... | null | [('dddd', ['9.5Hz', '8.2Hz', '6.1Hz', '1.8Hz'], '6H', 7.64, 7.64), ('m', [], '2H', 7.55, 7.51), ('td', ['7.3Hz', '3.5Hz'], '4H', 7.46, 7.46), ('m', [], '2H', 7.29, 7.27), ('d', ['8.2Hz'], '2H', 7.17, 7.17), ('d', ['8.2Hz'], '2H', 7.01, 7.01), ('d', ['2.4Hz'], '1H', 6.26, 6.26), ('dd', ['15.0Hz', '2.8Hz'], '1H', 4.21, 4... | 32 | 14 | 32 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[Si](c3ccccc3)(c3ccccc3)F)/C(=C/c3ccc(C)cc3)C2)cc1 | 34 | 34 | [0.15216403 0.51718752 0.30073797 0.63125001] | [0.14691699 0.64531253 0.84946742 0.82578131] | 13C NMR | 126 MHz | CDCl3 | 143.6, 141.0, 137.0, 134.1 (t, J = 2.7 Hz), 133.6, 133.1-133.0 (m), 132.7, 131.03 (d, J = 4.6 Hz), 129.8, 129.3, 128.4, 128.2, 127.8, 122.4, 53.8, 50.4, 39.7, 21.6, 21.3, 17.7 (d, J = 14.7 Hz) | null | [(143.6, None, None), (141.0, None, None), (137.0, None, None), (134.1, 't', 2.7), (133.6, None, None), ([133.1, 133.0], 'm', None), (132.7, None, None), (131.03, 'd', 4.6), (129.8, None, None), (129.3, None, None), (128.4, None, None), (128.2, None, None), (127.8, None, None), (122.4, None, None), (53.8, None, None), ... | 32 | 20 | 20 |
10.1002_anie.202100775 | Cc1ccc(S(=O)(=O)N2C[C@H](C[Si](c3ccccc3)(c3ccccc3)F)/C(=C/c3ccc(C)cc3)C2)cc1 | 34 | 34 | [0.15216403 0.51718752 0.30073797 0.63125001] | [0.14691699 0.64531253 0.84946742 0.82578131] | 19F NMR | 377 MHz | CDCl3 | -169.93 (s, 1F) | null | [(-169.93, 's', None)] | 1 | 1 | 1 |
10.1002_anie.202100775 | S(C[C@H]1CN(S(c2ccc(C)cc2)(=O)=O)C/C1=C\c1ccccc1)C(F)(F)F | 37 | 37 | [0.15133554 0.35195314 0.28996775 0.44414065] | [0.14691699 0.45742189 0.84946742 0.60351566] | 1H NMR | 500 MHz | CDCl3 | 7.74-7.71 (m, 2H), 7.37-7.33 (m, 4H), 7.28 (d, J = 7.5 Hz, 1H), 7.14 (dd, J = 8.3, 1.4 Hz, 2H), 6.38 (d, J = 1.7 Hz, 1H), 4.26-4.23 (m, 1H), 4.01 (dd, J = 15.0, 2.5 Hz, 1H), 3.36-3.31 (m, 2H), 3.13-3.08 (m, 1H), 3.07-3.06 (m, 1H), 2.87 (ddd, J = 13.1, 9.0, 0.9 Hz, 1H), 2.44-2.41 (m, 3H) | null | [('m', [], '2H', 7.74, 7.71), ('m', [], '4H', 7.37, 7.33), ('d', ['7.5Hz'], '1H', 7.28, 7.28), ('dd', ['8.3Hz', '1.4Hz'], '2H', 7.14, 7.14), ('d', ['1.7Hz'], '1H', 6.38, 6.38), ('m', [], '1H', 4.26, 4.23), ('dd', ['15.0Hz', '2.5Hz'], '1H', 4.01, 4.01), ('m', [], '2H', 3.36, 3.31), ('m', [], '1H', 3.13, 3.08), ('m', [],... | 20 | 11 | 20 |
10.1002_anie.202100775 | S(C[C@H]1CN(S(c2ccc(C)cc2)(=O)=O)C/C1=C\c1ccccc1)C(F)(F)F | 37 | 37 | [0.15133554 0.35195314 0.28996775 0.44414065] | [0.14691699 0.45742189 0.84946742 0.60351566] | 13C NMR | 126 MHz | CDCl3 | 144.2, 137.5, 135.8, 132.6, 130.0, 129.9 (q, J = 301.3 Hz), 128.8, 128.4, 127.9, 127.8, 125.7, 51.1, 50.5, 45.1, 33.3, 21.7 | null | [(144.2, None, None), (137.5, None, None), (135.8, None, None), (132.6, None, None), (130.0, None, None), (129.9, 'q', 301.3), (128.8, None, None), (128.4, None, None), (127.9, None, None), (127.8, None, None), (125.7, None, None), (51.1, None, None), (50.5, None, None), (45.1, None, None), (33.3, None, None), (21.7, N... | 20 | 16 | 16 |
10.1002_anie.202100775 | S(C[C@H]1CN(S(c2ccc(C)cc2)(=O)=O)C/C1=C\c1ccccc1)C(F)(F)F | 37 | 37 | [0.15133554 0.35195314 0.28996775 0.44414065] | [0.14691699 0.45742189 0.84946742 0.60351566] | 19F NMR | 377 MHz | CDCl3 | -40.79 (s, 3F) | null | [(-40.79, 's', None)] | 3 | 1 | 1 |
10.1002_anie.202100775 | C1(C=CC=CC=1)COCCC[SiH](C1C=CC=CC=1)C1C=CC=CC=1 | 38 | 38 | [0.15244018 0.32851564 0.34409505 0.34531252] | [0.14802163 0.36015628 0.84946742 0.46796879] | 1H NMR | 500 MHz | CDCl3 | 7.64 (dt, J = 6.3, 1.7 Hz, 5H), 7.50-7.34 (m, 10H), 4.97 (t, J = 3.7 Hz, 1H), 4.54 (s, 2H), 3.56 (t, J = 6.6 Hz, 2H), 1.88-1.83 (m, 2H), 1.29 (td, J = 8.3, 3.7 Hz, 2H) | null | [('dt', ['6.3Hz', '1.7Hz'], '5H', 7.64, 7.64), ('m', [], '10H', 7.5, 7.34), ('t', ['3.7Hz'], '1H', 4.97, 4.97), ('s', [], '2H', 4.54, 4.54), ('t', ['6.6Hz'], '2H', 3.56, 3.56), ('m', [], '2H', 1.88, 1.83), ('td', ['8.3Hz', '3.7Hz'], '2H', 1.29, 1.29)] | 24 | 11 | 24 |
10.1002_anie.202100775 | C1(C=CC=CC=1)COCCC[SiH](C1C=CC=CC=1)C1C=CC=CC=1 | 38 | 38 | [0.15244018 0.32851564 0.34409505 0.34531252] | [0.14802163 0.36015628 0.84946742 0.46796879] | 13C NMR | 126 MHz | CDCl3 | 138.7, 135.9, 135.3, 134.4, 130.3, 129.9, 129.7, 128.5, 128.11, 128.07, 127.8, 127.6, 72.9, 72.7, 24.8, 8.6 | null | [(138.7, None, None), (135.9, None, None), (135.3, None, None), (134.4, None, None), (130.3, None, None), (129.9, None, None), (129.7, None, None), (128.5, None, None), (128.11, None, None), (128.07, None, None), (127.8, None, None), (127.6, None, None), (72.9, None, None), (72.7, None, None), (24.8, None, None), (8.6,... | 22 | 12 | 16 |
10.1002_anie.202100775 | CCCOC/C=C(\[SiH](c1ccccc1)c1ccccc1)c1ccccc1 | 38 | 38 | [0.15216403 0.63750003 0.36922559 0.67265628] | [0.14912627 0.68593751 0.85167668 0.82968756] | 1H NMR | 500 MHz | CDCl3 | 7.59-7.56 (m, 4H), 7.43 (ddt, J = 9.2, 6.1, 3.2 Hz, 2H), 7.38 (t, J = 7.2 Hz, 3H), 7.29-7.27(m, 3H), 7.21 (dd, J = 7.3, 3.1 Hz, 1H), 7.05-7.02 (m, 2H), 6.38 (t, J = 5.9 Hz, 1H), 5.27 (s, 1H), 4.06 (d, J = 5.8 Hz, 2H), 3.34 (t, J = 6.7 Hz, 2H), 1.60-1.55 (m, 2H), 0.92 (t, J = 7.5 Hz, 3H) | null | [('m', [], '4H', 7.59, 7.56), ('ddt', ['9.2Hz', '6.1Hz', '3.2Hz'], '2H', 7.43, 7.43), ('t', ['7.2Hz'], '3H', 7.38, 7.38), ('m', [], '3H', 7.29, 7.27), ('dd', ['7.3Hz', '3.1Hz'], '1H', 7.21, 7.21), ('m', [], '2H', 7.05, 7.02), ('t', ['5.9Hz'], '1H', 6.38, 6.38), ('s', [], '1H', 5.27, 5.27), ('d', ['5.8Hz'], '2H', 4.06, ... | 26 | 12 | 26 |
10.1002_anie.202100775 | CCCOC/C=C(\[SiH](c1ccccc1)c1ccccc1)c1ccccc1 | 38 | 38 | [0.15216403 0.63750003 0.36922559 0.67265628] | [0.14912627 0.68593751 0.85167668 0.82968756] | 13C NMR | 126 MHz | CDCl3 | 143.9, 140.9, 140.7, 135.9, 135.7, 133.0, 129.9, 128.6, 128.4, 128.3, 128.1, 127.8, 126.4, 125.2, 72.6, 68.7, 23.0, 10.7 | null | [(143.9, None, None), (140.9, None, None), (140.7, None, None), (135.9, None, None), (135.7, None, None), (133.0, None, None), (129.9, None, None), (128.6, None, None), (128.4, None, None), (128.3, None, None), (128.1, None, None), (127.8, None, None), (126.4, None, None), (125.2, None, None), (72.6, None, None), (68.7... | 24 | 14 | 18 |
10.1002_anie.202100775 | c1ccc(COCCC/C(=C2/[C@@H](C)COC2)[SiH](c2ccccc2)c2ccccc2)cc1 | 40 | 40 | [0.15630642 0.23222657 0.29272935 0.33261721] | [0.1474693 0.34062503 0.84946742 0.50468753] | 1H NMR | 400 MHz | CDCl3 | 7.57 (ddt, J = 6.4, 2.3, 1.4 Hz, 4H), 7.42-7.31 (m, 8H), 7.28-7.24 (m, 3H), 5.30 (s, 1H), 4.65-4.56 (m, 1H), 4.41 (s, 1H), 4.35 (s, 2H), 3.81 (dd, J = 8.4, 5.1 Hz, 1H), 3.69 (dd, J = 8.4, 1.7 Hz, 1H), 3.25 (t, J = 6.4 Hz, 2H), 2.88 (ddd, J = 8.4, 5.3, 1.5 Hz, 1H), 2.14-2.10 (m, 2H), 1.53-1.40 (m, 2H), 1.05 (d, J = 7.0 ... | null | [('ddt', ['6.4Hz', '2.3Hz', '1.4Hz'], '4H', 7.57, 7.57), ('m', [], '8H', 7.42, 7.31), ('m', [], '3H', 7.28, 7.24), ('s', [], '1H', 5.3, 5.3), ('m', [], '1H', 4.65, 4.56), ('s', [], '1H', 4.41, 4.41), ('s', [], '2H', 4.35, 4.35), ('dd', ['8.4Hz', '5.1Hz'], '1H', 3.81, 3.81), ('dd', ['8.4Hz', '1.7Hz'], '1H', 3.69, 3.69),... | 32 | 15 | 32 |
10.1002_anie.202100775 | c1ccc(COCCC/C(=C2/[C@@H](C)COC2)[SiH](c2ccccc2)c2ccccc2)cc1 | 40 | 40 | [0.15630642 0.23222657 0.29272935 0.33261721] | [0.1474693 0.34062503 0.84946742 0.50468753] | 29Si NMR | 99 MHz | CDCl3 | -13.7 | null | [(-13.7, None, None)] | 1 | 1 | 1 |
10.1021_acs.orglett.7b02660 | FC(F)(F)c1cc(-c2ccc3occc3c2)cc(C(F)(F)F)c1 | 3 | 3 | [0.14443155 0.16953125 0.33166786 0.25507813] | [0.34906593 0.16523438 0.85609524 0.2652344 ] | 1H NMR | not_known | CDCl3 | 8.06 (s, 2H), 7.90 (s, 1H), 7.82 (d, J = 2.0 Hz, 1H), 7.71 (d, J = 2.0 Hz, 1H), 7.61 (d, J = 8.5 Hz, 1H), 7.52 (dd, J = 8.5, 2.0 Hz, 1H), 6.86 (d, J = 2.0 Hz, 1H) | null | [('s', [], '2H', 8.06, 8.06), ('s', [], '1H', 7.9, 7.9), ('d', ['2.0Hz'], '1H', 7.82, 7.82), ('d', ['2.0Hz'], '1H', 7.71, 7.71), ('d', ['8.5Hz'], '1H', 7.61, 7.61), ('dd', ['8.5Hz', '2.0Hz'], '1H', 7.52, 7.52), ('d', ['2.0Hz'], '1H', 6.86, 6.86)] | 8 | 7 | 8 |
10.1021_acs.orglett.7b02660 | FC(F)(F)c1cc(-c2ccc3occc3c2)cc(C(F)(F)F)c1 | 3 | 3 | [0.14443155 0.16953125 0.33166786 0.25507813] | [0.34906593 0.16523438 0.85609524 0.2652344 ] | 13C NMR | not_known | CDCl3 | 155.2, 146.2, 143.7, 133.4, 132.1 (q, J = 33.0 Hz), 128.4, 127.4, 124.4 (q, J = 318.1 Hz), 123.7, 120.5 (q, J = 3.6 Hz), 120.1, 112.1, 106.8 | null | [(155.2, None, None), (146.2, None, None), (143.7, None, None), (133.4, None, None), (132.1, 'q', 33.0), (128.4, None, None), (127.4, None, None), (124.4, 'q', 318.1), (123.7, None, None), (120.5, 'q', 3.6), (120.1, None, None), (112.1, None, None), (106.8, None, None)] | 16 | 13 | 13 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3O[Si]2(C)C)ccccc1 | 3 | 3 | [0.14249844 0.34082035 0.26787497 0.39316408] | [0.13807988 0.33671878 0.85719987 0.49921879] | 1H NMR | not_known | CDCl3 | 7.37 (m, 4H), 7.33 (s, 1H), 7.28 (q, J = 4.5 Hz, 1H), 7.16-7.19 (m, 2H), 6.92-6.95 (m, 2H), 0.49 (s, 6H) | null | [('m', [], '4H', 7.37, 7.37), ('s', [], '1H', 7.33, 7.33), ('q', ['4.5Hz'], '1H', 7.28, 7.28), ('m', [], '2H', 7.19, 7.16), ('m', [], '2H', 6.95, 6.92), ('s', [], '6H', 0.49, 0.49)] | 16 | 9 | 16 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3O[Si]2(C)C)ccccc1 | 3 | 3 | [0.14249844 0.34082035 0.26787497 0.39316408] | [0.13807988 0.33671878 0.85719987 0.49921879] | 13C NMR | not_known | CDCl3 | 153.0, 141.3, 139.7, 136.0, 131.0, 129.3, 128.8, 127.0, 126.3, 124.7, 121.0, 119.0, 1.3 | null | [(153.0, None, None), (141.3, None, None), (139.7, None, None), (136.0, None, None), (131.0, None, None), (129.3, None, None), (128.8, None, None), (127.0, None, None), (126.3, None, None), (124.7, None, None), (121.0, None, None), (119.0, None, None), (1.3, None, None)] | 16 | 13 | 13 |
10.1021_acs.orglett.7b02660 | Cc1ccccc1C1=Cc2ccccc2O[Si]1(C)C | 3 | 3 | [0.14305075 0.55625002 0.29466246 0.62968753] | [0.133109 0.55078129 0.85996147 0.69296881] | 1H NMR | not_known | CDCl3 | 7.24 (t, J = 4.4 Hz, 1H), 7.16-7.20 (m, 3H), 7.10 (d, J = 7.5 Hz, 1H), 7.02 (dd, J = 5.1, 3.7 Hz, 1H), 6.92-6.95 (m, 3H), 2.30 (s, 3H), 0.37 (s, 6H) | null | [('t', ['4.4Hz'], '1H', 7.24, 7.24), ('m', [], '3H', 7.2, 7.16), ('d', ['7.5Hz'], '1H', 7.1, 7.1), ('dd', ['5.1Hz', '3.7Hz'], '1H', 7.02, 7.02), ('m', [], '3H', 6.95, 6.92), ('s', [], '3H', 2.3, 2.3), ('s', [], '6H', 0.37, 0.37)] | 18 | 11 | 18 |
10.1021_acs.orglett.7b02660 | Cc1ccccc1C1=Cc2ccccc2O[Si]1(C)C | 3 | 3 | [0.14305075 0.55625002 0.29466246 0.62968753] | [0.133109 0.55078129 0.85996147 0.69296881] | 13C NMR | not_known | CDCl3 | 153.0, 142.1, 141.3, 138.3, 134.8, 130.6, 130.5, 129.2, 128.0, 126.4, 125.5, 124.3, 120.9, 119.1, 20.4, 0.5 | null | [(153.0, None, None), (142.1, None, None), (141.3, None, None), (138.3, None, None), (134.8, None, None), (130.6, None, None), (130.5, None, None), (129.2, None, None), (128.0, None, None), (126.4, None, None), (125.5, None, None), (124.3, None, None), (120.9, None, None), (119.1, None, None), (20.4, None, None), (0.5,... | 17 | 16 | 16 |
10.1021_acs.orglett.7b02660 | Cc1cc(C)c(C2=Cc3ccccc3O[Si]2(C)C)c(C)c1 | 3 | 3 | [0.14277459 0.74765631 0.31454596 0.82109378] | [0.13807988 0.74375006 0.85719987 0.88437506] | 1H NMR | not_known | CDCl3 | 7.19 (t, J = 7.5 Hz, 1H), 7.09 (d, J = 7.5 Hz, 1H), 6.93-6.96 (m, 2H), 6.91 (s, 2H), 6.87 (s, 1H), 2.30 (s, 3H), 2.20 (s, 6H), 0.36 (s, 6H) | null | [('t', ['7.5Hz'], '1H', 7.19, 7.19), ('d', ['7.5Hz'], '1H', 7.09, 7.09), ('m', [], '2H', 6.96, 6.93), ('s', [], '2H', 6.91, 6.91), ('s', [], '1H', 6.87, 6.87), ('s', [], '3H', 2.3, 2.3), ('s', [], '6H', 2.2, 2.2), ('s', [], '6H', 0.36, 0.36)] | 22 | 9 | 22 |
10.1021_acs.orglett.7b02660 | Cc1cc(C)c(C2=Cc3ccccc3O[Si]2(C)C)c(C)c1 | 3 | 3 | [0.14277459 0.74765631 0.31454596 0.82109378] | [0.13807988 0.74375006 0.85719987 0.88437506] | 13C NMR | not_known | CDCl3 | 153.0, 142.7, 138.2, 137.7, 135.5, 135.1, 130.6, 129.2, 128.3, 124.5, 120.8, 119.1, 20.98, 20.96, 1.2 | null | [(153.0, None, None), (142.7, None, None), (138.2, None, None), (137.7, None, None), (135.5, None, None), (135.1, None, None), (130.6, None, None), (129.2, None, None), (128.3, None, None), (124.5, None, None), (120.8, None, None), (119.1, None, None), (20.98, None, None), (20.96, None, None), (1.2, None, None)] | 19 | 15 | 15 |
10.1021_acs.orglett.7b02660 | COc1ccc(C2=Cc3ccccc3O[Si]2(C)C)cc1 | 4 | 4 | [0.14277459 0.17070314 0.34326659 0.24882814] | [0.3609408 0.16640626 0.85609524 0.26445314] | 1H NMR | not_known | CDCl3 | 7.32 (d, J = 7.5 Hz, 2H), 7.28 (s, 1H), 7.14-7.18 (m, 2H), 6.91-6.95 (m, 4H), 3.84 (s, 3H), 0.49 (s, 6H) | null | [('d', ['7.5Hz'], '2H', 7.32, 7.32), ('s', [], '1H', 7.28, 7.28), ('m', [], '2H', 7.18, 7.14), ('m', [], '4H', 6.95, 6.91), ('s', [], '3H', 3.84, 3.84), ('s', [], '6H', 0.49, 0.49)] | 18 | 9 | 18 |
10.1021_acs.orglett.7b02660 | COc1ccc(C2=Cc3ccccc3O[Si]2(C)C)cc1 | 4 | 4 | [0.14277459 0.17070314 0.34326659 0.24882814] | [0.3609408 0.16640626 0.85609524 0.26445314] | 13C NMR | not_known | CDCl3 | 158.9, 152.8, 138.1, 135.2, 133.7, 130.7, 129.0, 127.3, 124.8, 120.9, 118.9, 114.2, 55.3, 1.3 | null | [(158.9, None, None), (152.8, None, None), (138.1, None, None), (135.2, None, None), (133.7, None, None), (130.7, None, None), (129.0, None, None), (127.3, None, None), (124.8, None, None), (120.9, None, None), (118.9, None, None), (114.2, None, None), (55.3, None, None), (1.3, None, None)] | 17 | 14 | 14 |
10.1021_acs.orglett.7b02660 | C[Si]1(C)Oc2ccccc2C=C1c1ccccn1 | 4 | 4 | [0.14277459 0.3621094 0.29438629 0.43554691] | [0.13531829 0.35859376 0.86106615 0.49843751] | 1H NMR | not_known | CDCl3 | 8.51 (d, J = 4.8 Hz, 1H), 7.72 (s, 1H), 7.66 (t, J = 2.4 Hz, 2H), 7.18-7.22 (m, 2H), 7.10 (q, J = 4.5 Hz, 1H), 6.91-6.94 (m, 2H), 0.54 (s, 6H) | null | [('d', ['4.8Hz'], '1H', 8.51, 8.51), ('s', [], '1H', 7.72, 7.72), ('t', ['2.4Hz'], '2H', 7.66, 7.66), ('m', [], '2H', 7.22, 7.18), ('q', ['4.5Hz'], '1H', 7.1, 7.1), ('m', [], '2H', 6.94, 6.91), ('s', [], '6H', 0.54, 0.54)] | 15 | 10 | 15 |
10.1021_acs.orglett.7b02660 | C[Si]1(C)Oc2ccccc2C=C1c1ccccn1 | 4 | 4 | [0.14277459 0.3621094 0.29438629 0.43554691] | [0.13531829 0.35859376 0.86106615 0.49843751] | 13C NMR | not_known | CDCl3 | 159.2, 154.4, 148.8, 139.7, 136.1, 135.8, 131.2, 129.9, 124.0, 121.4, 120.4, 119.3, 117.7, 1.4 | null | [(159.2, None, None), (154.4, None, None), (148.8, None, None), (139.7, None, None), (136.1, None, None), (135.8, None, None), (131.2, None, None), (129.9, None, None), (124.0, None, None), (121.4, None, None), (120.4, None, None), (119.3, None, None), (117.7, None, None), (1.4, None, None)] | 15 | 14 | 14 |
10.1021_acs.orglett.7b02660 | C[Si]1(C)Oc2ccccc2C=C1c1ccc2ccccc2c1 | 4 | 4 | [0.14277459 0.55546878 0.33636259 0.62890625] | [0.14028915 0.55078129 0.85719987 0.69257817] | 1H NMR | not_known | CDCl3 | 7.83-7.86 (m, 3H), 7.76 (s, 1H), 7.58 (d, J = 10.2 Hz, 1H), 7.45-7.51 (m, 3H), 7.24 (d, J = 7.5 Hz, 1H), 7.20 (td, J = 7.5, 1.6 Hz, 1H), 6.97 (td, J = 7.5, 1.6 Hz, 2H), 0.56 (s, 6H) | null | [('m', [], '3H', 7.86, 7.83), ('s', [], '1H', 7.76, 7.76), ('d', ['10.2Hz'], '1H', 7.58, 7.58), ('m', [], '3H', 7.51, 7.45), ('d', ['7.5Hz'], '1H', 7.24, 7.24), ('td', ['7.5Hz', '1.6Hz'], '1H', 7.2, 7.2), ('td', ['7.5Hz', '1.6Hz'], '2H', 6.97, 6.97), ('s', [], '6H', 0.56, 0.56)] | 18 | 13 | 18 |
10.1021_acs.orglett.7b02660 | C[Si]1(C)Oc2ccccc2C=C1c1ccc2ccccc2c1 | 4 | 4 | [0.14277459 0.55546878 0.33636259 0.62890625] | [0.14028915 0.55078129 0.85719987 0.69257817] | 13C NMR | not_known | CDCl3 | 153.0, 140.1, 138.8, 135.9, 133.7, 132.5, 131.0, 129.4, 128.4, 127.9, 127.7, 126.3, 125.8, 125.1, 124.7, 124.5, 121.0, 119.0, 1.4 | null | [(153.0, None, None), (140.1, None, None), (138.8, None, None), (135.9, None, None), (133.7, None, None), (132.5, None, None), (131.0, None, None), (129.4, None, None), (128.4, None, None), (127.9, None, None), (127.7, None, None), (126.3, None, None), (125.8, None, None), (125.1, None, None), (124.7, None, None), (124... | 20 | 19 | 19 |
10.1021_acs.orglett.7b02660 | CC1=Cc2ccccc2O[Si]1(C)C | 5 | 5 | [0.14249844 0.14746095 0.26953192 0.19980469] | [0.14042724 0.12343751 0.5015061 0.13671876] | 1H NMR | not_known | CDCl3 | 7.08 (td, J = 7.6, 1.6 Hz, 1H), 7.01 (dd, J = 7.6, 1.6 Hz, 1H), 6.84-6.88 (m, 3H), 1.93 (s, 3H), 0.33 (s, 6H) | null | [('td', ['7.6Hz', '1.6Hz'], '1H', 7.08, 7.08), ('dd', ['7.6Hz', '1.6Hz'], '1H', 7.01, 7.01), ('m', [], '3H', 6.88, 6.84), ('s', [], '3H', 1.93, 1.93), ('s', [], '6H', 0.33, 0.33)] | 14 | 7 | 14 |
10.1021_acs.orglett.7b02660 | CC1=Cc2ccccc2O[Si]1(C)C | 5 | 5 | [0.14249844 0.14746095 0.26953192 0.19980469] | [0.14042724 0.12343751 0.5015061 0.13671876] | 13C NMR | not_known | CDCl3 | 152.8, 139.6, 133.5, 129.7, 128.1, 124.8, 120.7, 118.9, 20.2,-0.4 | null | [(152.8, None, None), (139.6, None, None), (133.5, None, None), (129.7, None, None), (128.1, None, None), (124.8, None, None), (120.7, None, None), (118.9, None, None), (20.2, None, None), (-0.4, None, None)] | 11 | 10 | 10 |
10.1021_acs.orglett.7b02660 | C1(CCCC)=Cc2ccccc2O[Si]1(C)C | 5 | 5 | [0.14111764 0.31835938 0.26815112 0.37070315] | [0.13973684 0.31562501 0.85664758 0.45546876] | 1H NMR | not_known | CDCl3 | 7.10 (td, J = 7.6, 1.6 Hz, 1H), 7.04 (dd, J = 7.6, 1.6 Hz, 1H), 6.85-6.89 (m, 3H), 2.28 (t, J = 7.8 Hz, 2H), 1.44-1.49 (m, 2H), 1.37 (sext, J = 7.6 Hz, 2H), 0.94 (t, J = 7.6 Hz, 3H), 0.35 (s, 6H) | null | [('td', ['7.6Hz', '1.6Hz'], '1H', 7.1, 7.1), ('dd', ['7.6Hz', '1.6Hz'], '1H', 7.04, 7.04), ('m', [], '3H', 6.89, 6.85), ('t', ['7.8Hz'], '2H', 2.28, 2.28), ('m', [], '2H', 1.49, 1.44), ('hex', ['7.6Hz'], '2H', 1.37, 1.37), ('t', ['7.6Hz'], '3H', 0.94, 0.94), ('s', [], '6H', 0.35, 0.35)] | 20 | 10 | 20 |
10.1021_acs.orglett.7b02660 | C1(CCCC)=Cc2ccccc2O[Si]1(C)C | 5 | 5 | [0.14111764 0.31835938 0.26815112 0.37070315] | [0.13973684 0.31562501 0.85664758 0.45546876] | 13C NMR | not_known | CDCl3 | 152.8, 138.9, 138.2, 129.8, 128.2, 124.8, 120.6, 118.8, 35.2, 31.8, 22.6, 13.9, 0.6 | null | [(152.8, None, None), (138.9, None, None), (138.2, None, None), (129.8, None, None), (128.2, None, None), (124.8, None, None), (120.6, None, None), (118.8, None, None), (35.2, None, None), (31.8, None, None), (22.6, None, None), (13.9, None, None), (0.6, None, None)] | 14 | 13 | 13 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc(OC)ccc3O[Si]2(C)C)ccccc1 | 5 | 5 | [0.14305075 0.50859378 0.31979298 0.56015627] | [0.13918451 0.50859378 0.85664758 0.62890625] | 1H NMR | not_known | CDCl3 | 7.36-7.39 (m, 4H), 7.26-7.29 (m, 2H), 6.86 (d, J = 8.8 Hz, 1H), 6.73-6.77 (m, 2H), 3.79 (s, 3H), 0.48 (s, 6H) | null | [('m', [], '4H', 7.39, 7.36), ('m', [], '2H', 7.29, 7.26), ('d', ['8.8Hz'], '1H', 6.86, 6.86), ('m', [], '2H', 6.77, 6.73), ('s', [], '3H', 3.79, 3.79), ('s', [], '6H', 0.48, 0.48)] | 18 | 9 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc(OC)ccc3O[Si]2(C)C)ccccc1 | 5 | 5 | [0.14305075 0.50859378 0.31979298 0.56015627] | [0.13918451 0.50859378 0.85664758 0.62890625] | 13C NMR | not_known | CDCl3 | 153.7, 147.0, 141.3, 139.6, 137.0, 128.8, 127.05, 127.03, 126.3, 124.9, 119.4, 115.2, 55.8, 1.1 | null | [(153.7, None, None), (147.0, None, None), (141.3, None, None), (139.6, None, None), (137.0, None, None), (128.8, None, None), (127.05, None, None), (127.03, None, None), (126.3, None, None), (124.9, None, None), (119.4, None, None), (115.2, None, None), (55.8, None, None), (1.1, None, None)] | 17 | 14 | 14 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3O[Si]2(C)C)ccccc1 | 5 | 5 | [0.14360308 0.6816407 0.37502496 0.77851567] | [0.39325148 0.67890629 0.85609524 0.77812503] | 1H NMR | not_known | CDCl3 | 7.99 (s, 2H), 7.81 (s, 1H), 7.39-7.44 (m, 7H), 7.29-7.32 (m, 1H), 7.05 (d, J = 8.8 Hz, 1H), 0.54 (s, 6H) | null | [('s', [], '2H', 7.99, 7.99), ('s', [], '1H', 7.81, 7.81), ('m', [], '7H', 7.44, 7.39), ('m', [], '1H', 7.32, 7.29), ('d', ['8.8Hz'], '1H', 7.05, 7.05), ('s', [], '6H', 0.54, 0.54)] | 18 | 10 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3O[Si]2(C)C)ccccc1 | 5 | 5 | [0.14360308 0.6816407 0.37502496 0.77851567] | [0.39325148 0.67890629 0.85609524 0.77812503] | 13C NMR | not_known | CDCl3 | 153.9, 142.9, 141.0, 139.0, 137.5, 132.2 (q, J = 33.0 Hz), 131.1, 129.6, 129.0, 128.0, 127.4, 126.7, 126.3, 125.5, 124.4 (q, J = 276.8 Hz), 120.4 (q, J = 3.6 Hz), 120.0, 1.3 | null | [(153.9, None, None), (142.9, None, None), (141.0, None, None), (139.0, None, None), (137.5, None, None), (132.2, 'q', 33.0), (131.1, None, None), (129.6, None, None), (129.0, None, None), (128.0, None, None), (127.4, None, None), (126.7, None, None), (126.3, None, None), (125.5, None, None), (124.4, 'q', 276.8), (120.... | 24 | 18 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3O[Si]2(C)C)ccccc1 | 6 | 6 | [0.14360308 0.1279297 0.37778655 0.20800783] | [0.39601308 0.12324219 0.85664758 0.22187501] | 1H NMR | not_known | CDCl3 | 7.67-7.67 (m, 4H), 7.39-7.43 (m, 7H), 7.31 (q, J = 4.3 Hz, 1H), 7.03 (d, J = 8.2 Hz, 1H), 0.53 (s, 6H) | null | [('m', [], '4H', 7.67, 7.67), ('m', [], '7H', 7.43, 7.39), ('q', ['4.3Hz'], '1H', 7.31, 7.31), ('d', ['8.2Hz'], '1H', 7.03, 7.03), ('s', [], '6H', 0.53, 0.53)] | 19 | 10 | 19 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc(-c4ccc(C(F)(F)F)cc4)ccc3O[Si]2(C)C)ccccc1 | 6 | 6 | [0.14360308 0.1279297 0.37778655 0.20800783] | [0.39601308 0.12324219 0.85664758 0.22187501] | 13C NMR | not_known | CDCl3 | 153.3, 144.2, 141.1, 139.3, 137.0, 132.6, 129.6, 128.9 (q, J = 36.4 Hz), 128.8, 128.1, 127.2, 126.9, 126.3, 125.7 (q, J = 4.4 Hz), 125.3 (q, J = 275.3 Hz), 125.0, 119.6, 1.2 | null | [(153.3, None, None), (144.2, None, None), (141.1, None, None), (139.3, None, None), (137.0, None, None), (132.6, None, None), (129.6, None, None), (128.9, 'q', 36.4), (128.8, None, None), (128.1, None, None), (127.2, None, None), (126.9, None, None), (126.3, None, None), (125.7, 'q', 4.4), (125.3, 'q', 275.3), (125.0,... | 23 | 18 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc(-c4ccc(N(C)C)cc4)ccc3O[Si]2(C)C)ccccc1 | 6 | 6 | [0.14387923 0.34257815 0.39131837 0.42382816] | [0.40761179 0.33671878 0.85609524 0.43593751] | 1H NMR | not_known | CDCl3 | 7.48 (d, J = 8.8 Hz, 2H), 7.38-7.41 (m, 7H), 7.28-7.31 (m, 1H), 6.97 (t, J = 4.4 Hz, 1H), 6.82 (d, J = 8.2 Hz, 2H), 2.99 (s, 6H), 0.52 (s, 6H) | null | [('d', ['8.8Hz'], '2H', 7.48, 7.48), ('m', [], '7H', 7.41, 7.38), ('m', [], '1H', 7.31, 7.28), ('t', ['4.4Hz'], '1H', 6.97, 6.97), ('d', ['8.2Hz'], '2H', 6.82, 6.82), ('s', [], '6H', 2.99, 2.99), ('s', [], '6H', 0.52, 0.52)] | 25 | 11 | 25 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc(-c4ccc(N(C)C)cc4)ccc3O[Si]2(C)C)ccccc1 | 6 | 6 | [0.14387923 0.34257815 0.39131837 0.42382816] | [0.40761179 0.33671878 0.85609524 0.43593751] | 13C NMR | not_known | CDCl3 | 151.6, 149.7, 141.4, 140.0, 136.1, 134.3, 129.0, 128.8, 128.7, 127.34, 127.33, 127.0, 126.3, 124.6, 119.2, 112.9, 40.6, 1.2 | null | [(151.6, None, None), (149.7, None, None), (141.4, None, None), (140.0, None, None), (136.1, None, None), (134.3, None, None), (129.0, None, None), (128.8, None, None), (128.7, None, None), (127.34, None, None), (127.33, None, None), (127.0, None, None), (126.3, None, None), (124.6, None, None), (119.2, None, None), (1... | 24 | 18 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=C(C)c3ccccc3O[Si]2(C)C)ccccc1 | 6 | 6 | [0.14277459 0.55664066 0.26787497 0.62539064] | [0.13476596 0.55078129 0.85719987 0.69218753] | 1H NMR | not_known | CDCl3 | 7.50 (dd, J = 8.2, 1.4 Hz, 1H), 7.37 (t, J = 7.8 Hz, 2H), 7.24-7.26 (m, 1H), 7.19-7.22 (m, 1H), 7.05 (d, J = 6.8 Hz, 2H), 6.95-6.99 (m, 2H), 2.03 (s, 3H), 0.28 (s, 6H) | null | [('dd', ['8.2Hz', '1.4Hz'], '1H', 7.5, 7.5), ('t', ['7.8Hz'], '2H', 7.37, 7.37), ('m', [], '1H', 7.26, 7.24), ('m', [], '1H', 7.22, 7.19), ('d', ['6.8Hz'], '2H', 7.05, 7.05), ('m', [], '2H', 6.99, 6.95), ('s', [], '3H', 2.03, 2.03), ('s', [], '6H', 0.28, 0.28)] | 18 | 9 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=C(C)c3ccccc3O[Si]2(C)C)ccccc1 | 6 | 6 | [0.14277459 0.55664066 0.26787497 0.62539064] | [0.13476596 0.55078129 0.85719987 0.69218753] | 13C NMR | not_known | CDCl3 | 153.1, 143.2, 141.6, 136.7, 129.0, 128.5, 128.0, 127.0, 126.0, 125.9, 120.7, 119.9, 17.6,-0.4 | null | [(153.1, None, None), (143.2, None, None), (141.6, None, None), (136.7, None, None), (129.0, None, None), (128.5, None, None), (128.0, None, None), (127.0, None, None), (126.0, None, None), (125.9, None, None), (120.7, None, None), (119.9, None, None), (17.6, None, None), (-0.4, None, None)] | 17 | 14 | 14 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3c(ccc4ccccc34)O[Si]2(C)C)ccccc1 | 6 | 6 | [0.14249844 0.74531254 0.28831078 0.81718753] | [0.30543268 0.74375006 0.85664758 0.82031257] | 1H NMR | not_known | CDCl3 | 8.23-8.26 (m, 2H), 7.79 (d, J = 8.2 Hz, 1H), 7.71 (d, J = 8.8 Hz, 1H), 7.52 (t, J = 8.2 Hz, 1H), 7.36-7.46 (m, 5H), 7.31 (t, J = 7.1 Hz, 1H), 7.19 (d, J = 8.8 Hz, 1H), 0.53 (s, 6H) | null | [('m', [], '2H', 8.26, 8.23), ('d', ['8.2Hz'], '1H', 7.79, 7.79), ('d', ['8.8Hz'], '1H', 7.71, 7.71), ('t', ['8.2Hz'], '1H', 7.52, 7.52), ('m', [], '5H', 7.46, 7.36), ('t', ['7.1Hz'], '1H', 7.31, 7.31), ('d', ['8.8Hz'], '1H', 7.19, 7.19), ('s', [], '6H', 0.53, 0.53)] | 18 | 11 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3c(ccc4ccccc34)O[Si]2(C)C)ccccc1 | 6 | 6 | [0.14249844 0.74531254 0.28831078 0.81718753] | [0.30543268 0.74375006 0.85664758 0.82031257] | 13C NMR | not_known | CDCl3 | 151.5, 142.0, 135.3, 134.5, 132.0, 130.0, 129.4, 128.8, 128.8, 127.0, 126.6, 126.4, 123.6, 121.3, 121.0, 116.5, 0.9 | null | [(151.5, None, None), (142.0, None, None), (135.3, None, None), (134.5, None, None), (132.0, None, None), (130.0, None, None), (129.4, None, None), (128.8, None, None), (128.8, None, None), (127.0, None, None), (126.6, None, None), (126.4, None, None), (123.6, None, None), (121.3, None, None), (121.0, None, None), (116... | 20 | 17 | 17 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc4ccccc4cc3O[Si]2(C)C)ccccc1 | 7 | 7 | [0.14277459 0.21269532 0.30985125 0.26503908] | [0.13421364 0.20859375 0.85664758 0.37265627] | 1H NMR | not_known | CDCl3 | 7.76 (d, J = 8.2 Hz, 1H), 7.68 (t, J = 3.7 Hz, 2H), 7.54 (s, 1H), 7.39-7.44 (m, 5H), 7.30-7.33 (m, 3H), 0.54 (s, 6H) | null | [('d', ['8.2Hz'], '1H', 7.76, 7.76), ('t', ['3.7Hz'], '2H', 7.68, 7.68), ('s', [], '1H', 7.54, 7.54), ('m', [], '5H', 7.44, 7.39), ('m', [], '3H', 7.33, 7.3), ('s', [], '6H', 0.54, 0.54)] | 18 | 11 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3cc4ccccc4cc3O[Si]2(C)C)ccccc1 | 7 | 7 | [0.14277459 0.21269532 0.30985125 0.26503908] | [0.13421364 0.20859375 0.85664758 0.37265627] | 13C NMR | not_known | CDCl3 | 150.7, 141.2, 139.8, 138.1, 134.5, 130.5, 129.1, 128.8, 127.7, 127.2, 126.6, 126.3, 126.3, 126.2, 123.9, 113.8, 1.0 | null | [(150.7, None, None), (141.2, None, None), (139.8, None, None), (138.1, None, None), (134.5, None, None), (130.5, None, None), (129.1, None, None), (128.8, None, None), (127.7, None, None), (127.2, None, None), (126.6, None, None), (126.3, None, None), (126.3, None, None), (126.2, None, None), (123.9, None, None), (113... | 20 | 17 | 17 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccc4ccccc4c3O[Si]2(C)C)ccccc1 | 7 | 7 | [0.14249844 0.42734377 0.2874823 0.49296878] | [0.13421364 0.42226564 0.85664758 0.58593754] | 1H NMR | not_known | CDCl3 | 8.34 (d, J = 7.6 Hz, 1H), 7.76-7.77 (m, 1H), 7.39-7.50 (m, 8H), 7.29-7.32 (m, 2H), 0.59 (s, 6H) | null | [('d', ['7.6Hz'], '1H', 8.34, 8.34), ('m', [], '1H', 7.77, 7.76), ('m', [], '8H', 7.5, 7.39), ('m', [], '2H', 7.32, 7.29), ('s', [], '6H', 0.59, 0.59)] | 18 | 11 | 18 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccc4ccccc4c3O[Si]2(C)C)ccccc1 | 7 | 7 | [0.14249844 0.42734377 0.2874823 0.49296878] | [0.13421364 0.42226564 0.85664758 0.58593754] | 13C NMR | not_known | CDCl3 | 148.9, 141.4, 140.0, 135.0, 134.4, 128.8, 128.4, 127.4, 127.0, 126.6, 126.2, 125.4, 122.8, 120.24, 120.23, 118.5, 1.5 | null | [(148.9, None, None), (141.4, None, None), (140.0, None, None), (135.0, None, None), (134.4, None, None), (128.8, None, None), (128.4, None, None), (127.4, None, None), (127.0, None, None), (126.6, None, None), (126.2, None, None), (125.4, None, None), (122.8, None, None), (120.24, None, None), (120.23, None, None), (1... | 20 | 17 | 17 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3OB2O)ccccc1 | 7 | 7 | [0.14277459 0.63906251 0.2689796 0.68359382] | [0.1358706 0.63632818 0.85609524 0.77695318] | 1H NMR | not_known | CDCl3 | 7.81 (s, 1H), 7.61 (d, J = 7.5 Hz, 2H), 7.50 (d, J = 7.5 Hz, 1H), 7.44 (t, J = 7.5 Hz, 2H), 7.39 (t, J = 8.5 Hz, 1H), 7.33 (t, J = 7.5 Hz, 1H), 7.29 (d, J = 8.5 Hz, 1H), 7.19 (t, J = 7.5 Hz, 1H), 4.71 (s, 1H) | null | [('s', [], '1H', 7.81, 7.81), ('d', ['7.5Hz'], '2H', 7.61, 7.61), ('d', ['7.5Hz'], '1H', 7.5, 7.5), ('t', ['7.5Hz'], '2H', 7.44, 7.44), ('t', ['8.5Hz'], '1H', 7.39, 7.39), ('t', ['7.5Hz'], '1H', 7.33, 7.33), ('d', ['8.5Hz'], '1H', 7.29, 7.29), ('t', ['7.5Hz'], '1H', 7.19, 7.19), ('s', [], '1H', 4.71, 4.71)] | 11 | 9 | 11 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3OB2O)ccccc1 | 7 | 7 | [0.14277459 0.63906251 0.2689796 0.68359382] | [0.1358706 0.63632818 0.85609524 0.77695318] | 13C NMR | not_known | CDCl3 | 151.7, 144.3, 140.3, 129.3, 128.9, 128.8, 127.4, 127.3, 124.6, 122.6, 118.1 | null | [(151.7, None, None), (144.3, None, None), (140.3, None, None), (129.3, None, None), (128.9, None, None), (128.8, None, None), (127.4, None, None), (127.3, None, None), (124.6, None, None), (122.6, None, None), (118.1, None, None)] | 14 | 12 | 11 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3OP2(=O)c2ccccc2)ccccc1 | 7 | 7 | [0.14277459 0.83125004 0.26815112 0.88437506] | [0.28527302 0.82890628 0.85499062 0.88515626] | 1H NMR | not_known | CDCl3 | 7.80-7.20 (m, 15H) | null | [('m', [], '15H', 7.8, 7.2)] | 15 | 11 | 15 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3OP2(=O)c2ccccc2)ccccc1 | 7 | 7 | [0.14277459 0.83125004 0.26815112 0.88437506] | [0.28527302 0.82890628 0.85499062 0.88515626] | 13C NMR | not_known | CDCl3 | 149.8 (d, J = 10.0 Hz), 137.7 (d, J = 2.9 Hz), 135.4 (d, J = 11.5 Hz), 132.8, 131.9 (d, J = 11.5 Hz), 131.0, 130.6, 130.1, 129.7 (d, J = 18.6 Hz), 129.0, 128.8, 128.5 (d, J = 14.3 Hz), 127.4 (d, J = 7.2 Hz), 124.0, 121.2 (d, J = 15.8 Hz), 118.8 (d, J = 5.7 Hz) | null | [(149.8, 'd', 10.0), (137.7, 'd', 2.9), (135.4, 'd', 11.5), (132.8, None, None), (131.9, 'd', 11.5), (131.0, None, None), (130.6, None, None), (130.1, None, None), (129.7, 'd', 18.6), (129.0, None, None), (128.8, None, None), (128.5, 'd', 14.3), (127.4, 'd', 7.2), (124.0, None, None), (121.2, 'd', 15.8), (118.8, 'd', 5... | 20 | 16 | 16 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3OP2(=O)c2ccccc2)ccccc1 | 7 | 7 | [0.14277459 0.83125004 0.26815112 0.88437506] | [0.28527302 0.82890628 0.85499062 0.88515626] | 31P NMR | not_known | CDCl3 | 22.3 | null | [(22.3, None, None)] | 1 | 1 | 1 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3O[Ge]2(C)C)ccccc1 | 8 | 8 | [0.14249844 0.27539064 0.26980809 0.32851564] | [0.13697524 0.2730469 0.85719987 0.43632815] | 1H NMR | not_known | CDCl3 | 7.39 (t, J = 7.5 Hz, 2H), 7.33-7.34 (m, 3H), 7.29 (t, J = 7.5 Hz, 1H), 7.14-7.17 (m, 2H), 6.91 (d, J = 8.2 Hz, 1H), 6.85 (t, J = 7.1 Hz, 1H), 0.78 (s, 6H) | null | [('t', ['7.5Hz'], '2H', 7.39, 7.39), ('m', [], '3H', 7.34, 7.33), ('t', ['7.5Hz'], '1H', 7.29, 7.29), ('m', [], '2H', 7.17, 7.14), ('d', ['8.2Hz'], '1H', 6.91, 6.91), ('t', ['7.1Hz'], '1H', 6.85, 6.85), ('s', [], '6H', 0.78, 0.78)] | 16 | 9 | 16 |
10.1021_acs.orglett.7b02660 | c1(C2=Cc3ccccc3O[Ge]2(C)C)ccccc1 | 8 | 8 | [0.14249844 0.27539064 0.26980809 0.32851564] | [0.13697524 0.2730469 0.85719987 0.43632815] | 13C NMR | not_known | CDCl3 | 156.7, 140.6, 137.7, 134.3, 132.1, 129.7, 129.0, 127.2, 125.7, 123.6, 119.6, 119.4, 2.6 | null | [(156.7, None, None), (140.6, None, None), (137.7, None, None), (134.3, None, None), (132.1, None, None), (129.7, None, None), (129.0, None, None), (127.2, None, None), (125.7, None, None), (123.6, None, None), (119.6, None, None), (119.4, None, None), (2.6, None, None)] | 16 | 13 | 13 |
10.1002_ejoc.201402516 | N(Cc1cccc(N=[N+]=[N-])c1)=[N+]=[N-] | 2 | 2 | [0.12105962 0.28164064 0.21558561 0.3542969 ] | [0.1182957 0.36464845 0.88224267 0.46484379] | 1H NMR | 500 MHz | CDCl3 | 4.34 (s, 2H), 6.97-6.99 (m, 1H), 7.01 (ddd, 1H, J = 1.0, 2.0, 8.0 Hz), 7.09 (dd, 1H, J = 1.0, 8.0 Hz), 7.37 (dd, 1H, J = 8.0, 8.0 Hz) | null | [('s', [], '2H', 4.34, 4.34), ('m', [], '1H', 6.99, 6.97), ('ddd', ['1.0Hz', '2.0Hz', '8.0Hz'], '1H', 7.01, 7.01), ('dd', ['1.0Hz', '8.0Hz'], '1H', 7.09, 7.09), ('dd', ['8.0Hz', '8.0Hz'], '1H', 7.37, 7.37)] | 6 | 5 | 6 |
10.1002_ejoc.201402516 | N(Cc1cccc(N=[N+]=[N-])c1)=[N+]=[N-] | 2 | 2 | [0.12105962 0.28164064 0.21558561 0.3542969 ] | [0.1182957 0.36464845 0.88224267 0.46484379] | 13C NMR | 126 MHz | CDCl3 | 54.3, 118.6, 118.9, 124.5, 130.2, 137.4, 140.7 | null | [(54.3, None, None), (118.6, None, None), (118.9, None, None), (124.5, None, None), (130.2, None, None), (137.4, None, None), (140.7, None, None)] | 7 | 7 | 7 |
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