Filename stringlengths 10 43 | SMILES stringlengths 3 471 | Page_in_file_mol float64 0 489 | Page_in_file_para int64 0 489 | Location_in_page_mol stringlengths 37 45 | Location_in_page_para stringlengths 37 61 | NMR_type stringclasses 11
values | NMR_frequency stringlengths 3 38 | NMR_solvent stringclasses 17
values | NMR_shift_text stringlengths 1 1.36k | NMR_note stringlengths 2 352 ⌀ | NMR_processed stringlengths 17 2.43k | Atom_number int64 1 244 | Atom_number_diff_env int64 1 118 | Atom_number_abstract float64 0.07 244 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1039_d2ob00964a | c1(C)ccccc1[Se]C/C(=C/N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)[Se]c1ccccc1C | 20 | 20 | [0.15133554 0.49140629 0.39822237 0.58828126] | [0.14912627 0.60351566 0.84283955 0.64492189] | 1H NMR | 400 MHz | CDCl3 | 7.33 (d, J = 7.4 Hz, 2H), 7.25-7.11 (m, 10H), 6.99 (dd, J = 22.4, 15.5 Hz, 2H), 6.68 (s, 1H), 6.63 (d, J = 7.7 Hz, 2H), 3.47 (s, 2H), 2.44 (s, 3H), 2.35 (s, 3H), 2.26 (s, 3H) | null | [('d', ['7.4Hz'], '2H', 7.33, 7.33), ('m', [], '10H', 7.25, 7.11), ('dd', ['22.4Hz', '15.5Hz'], '2H', 6.99, 6.99), ('s', [], '1H', 6.68, 6.68), ('d', ['7.7Hz'], '2H', 6.63, 6.63), ('s', [], '2H', 3.47, 3.47), ('s', [], '3H', 2.44, 2.44), ('s', [], '3H', 2.35, 2.35), ('s', [], '3H', 2.26, 2.26)] | 28 | 17 | 28 |
10.1039_d2ob00964a | c1(C)ccccc1[Se]C/C(=C/N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)[Se]c1ccccc1C | 20 | 20 | [0.15133554 0.49140629 0.39822237 0.58828126] | [0.14912627 0.60351566 0.84283955 0.64492189] | 13C NMR | 100 MHz | CDCl3 | 144.14, 141.46, 140.81, 138.38, 135.94, 134.10, 133.92, 132.95, 130.22, 130.16, 129.95, 129.54, 129.46, 129.23, 128.83, 128.68, 128.44, 127.82, 127.74, 127.45, 126.53, 126.36, 32.77, 22.77, 22.63, 21.61 | null | [(144.14, None, None), (141.46, None, None), (140.81, None, None), (138.38, None, None), (135.94, None, None), (134.1, None, None), (133.92, None, None), (132.95, None, None), (130.22, None, None), (130.16, None, None), (129.95, None, None), (129.54, None, None), (129.46, None, None), (129.23, None, None), (128.83, Non... | 30 | 26 | 26 |
10.1039_d2ob00964a | c1(C)ccccc1[Se]C/C(=C\N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)[Se]c1ccccc1C | 21 | 21 | [0.15119747 0.09121094 0.38441438 0.20800783] | [0.14912627 0.22304689 0.84283955 0.26445314] | 1H NMR | 400 MHz | CDCl3 | 7.48 (d, J = 7.1 Hz, 2H), 7.25-7.09 (m, 12H), 6.86 (d, J = 7.2 Hz, 2H), 6.31 (s, 1H), 3.65 (s, 2H), 2.42 (s, 3H), 2.40 (s, 3H), 2.29 (s, 3H) | null | [('d', ['7.1Hz'], '2H', 7.48, 7.48), ('m', [], '12H', 7.25, 7.09), ('d', ['7.2Hz'], '2H', 6.86, 6.86), ('s', [], '1H', 6.31, 6.31), ('s', [], '2H', 3.65, 3.65), ('s', [], '3H', 2.42, 2.42), ('s', [], '3H', 2.4, 2.4), ('s', [], '3H', 2.29, 2.29)] | 28 | 17 | 28 |
10.1039_d2ob00964a | c1(C)ccccc1[Se]C/C(=C\N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)[Se]c1ccccc1C | 21 | 21 | [0.15119747 0.09121094 0.38441438 0.20800783] | [0.14912627 0.22304689 0.84283955 0.26445314] | 13C NMR | 100 MHz | CDCl3 | 144.25, 141.08, 139.84, 138.39, 134.74, 133.51, 133.29, 132.66, 130.51, 130.40, 129.94, 129.81, 129.56, 129.23, 128.87, 128.48, 127.98, 127.70, 127.37, 126.83, 126.75, 126.37, 29.69, 29.13, 22.47, 21.58 | null | [(144.25, None, None), (141.08, None, None), (139.84, None, None), (138.39, None, None), (134.74, None, None), (133.51, None, None), (133.29, None, None), (132.66, None, None), (130.51, None, None), (130.4, None, None), (129.94, None, None), (129.81, None, None), (129.56, None, None), (129.23, None, None), (128.87, Non... | 30 | 26 | 26 |
10.1039_d2ob00964a | c1(C)cccc([Se]C/C(=C/N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2cccc(C)c2)c1 | 21 | 21 | [0.1509213 0.50156252 0.43357079 0.61406253] | [0.14857395 0.63125001 0.84725811 0.67343756] | 1H NMR | 400 MHz | CDCl3 | 7.34 (d, J = 7.3 Hz, 2H), 7.21-7.02 (m, 12H), 6.73 (d, J = 7.8 Hz, 2H), 6.63 (s, 1H), 3.55 (s, 2H), 2.43 (s, 3H), 2.29 (s, 3H), 2.27 (s, 3H) | null | [('d', ['7.3Hz'], '2H', 7.34, 7.34), ('m', [], '12H', 7.21, 7.02), ('d', ['7.8Hz'], '2H', 6.73, 6.73), ('s', [], '1H', 6.63, 6.63), ('s', [], '2H', 3.55, 3.55), ('s', [], '3H', 2.43, 2.43), ('s', [], '3H', 2.29, 2.29), ('s', [], '3H', 2.27, 2.27)] | 28 | 17 | 28 |
10.1039_d2ob00964a | c1(C)cccc([Se]C/C(=C/N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2cccc(C)c2)c1 | 21 | 21 | [0.1509213 0.50156252 0.43357079 0.61406253] | [0.14857395 0.63125001 0.84725811 0.67343756] | 13C NMR | 100 MHz | CDCl3 | 144.11, 139.03, 138.78, 138.64, 135.76, 134.37, 134.11, 132.88, 132.15, 130.69, 129.53, 129.33, 129.28, 129.10, 128.95, 128.90, 128.81, 128.15, 127.71, 127.19, 33.16, 29.67, 21.62, 21.20 | null | [(144.11, None, None), (139.03, None, None), (138.78, None, None), (138.64, None, None), (135.76, None, None), (134.37, None, None), (134.11, None, None), (132.88, None, None), (132.15, None, None), (130.69, None, None), (129.53, None, None), (129.33, None, None), (129.28, None, None), (129.1, None, None), (128.95, Non... | 30 | 26 | 24 |
10.1039_d2ob00964a | c1(C)cccc([Se]C/C(=C\N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2cccc(C)c2)c1 | 22 | 22 | [0.15078323 0.08945313 0.42031514 0.21113282] | [0.14912627 0.22285157 0.84836274 0.2654297 ] | 1H NMR | 400 MHz | CDCl3 | 7.32 (d, J = 7.3 Hz, 2H), 7.22-7.15 (m, 7H), 7.11 (d, J = 7.8 Hz, 2H), 7.04-6.98 (m, 3H), 6.87 (d, J = 8.3 Hz, 2H), 6.56 (s, 1H), 3.63 (s, 2H), 2.41 (s, 3H), 2.32 (s, 3H), 2.25 (s, 3H) | null | [('d', ['7.3Hz'], '2H', 7.32, 7.32), ('m', [], '7H', 7.22, 7.15), ('d', ['7.8Hz'], '2H', 7.11, 7.11), ('m', [], '3H', 7.04, 6.98), ('d', ['8.3Hz'], '2H', 6.87, 6.87), ('s', [], '1H', 6.56, 6.56), ('s', [], '2H', 3.63, 3.63), ('s', [], '3H', 2.41, 2.41), ('s', [], '3H', 2.32, 2.32), ('s', [], '3H', 2.25, 2.25)] | 28 | 17 | 28 |
10.1039_d2ob00964a | c1(C)cccc([Se]C/C(=C\N(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)[Se]c2cccc(C)c2)c1 | 22 | 22 | [0.15078323 0.08945313 0.42031514 0.21113282] | [0.14912627 0.22285157 0.84836274 0.2654297 ] | 13C NMR | 100 MHz | CDCl3 | 144.33, 139.16, 138.63, 138.22, 134.07, 134.03, 133.66, 133.51, 130.49, 130.17, 129.92, 129.70, 129.59, 129.27, 129.19, 129.11, 128.90, 128.68, 128.64, 128.62, 128.17, 127.73, 30.43, 29.69, 21.59, 21.28 | null | [(144.33, None, None), (139.16, None, None), (138.63, None, None), (138.22, None, None), (134.07, None, None), (134.03, None, None), (133.66, None, None), (133.51, None, None), (130.49, None, None), (130.17, None, None), (129.92, None, None), (129.7, None, None), (129.59, None, None), (129.27, None, None), (129.19, Non... | 30 | 26 | 26 |
10.1039_d2ob00964a | N(/C=C(\C[Se]Cc1ccccc1)[Se]Cc1ccccc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 22 | 22 | [0.15133554 0.52734379 0.42031514 0.64453125] | [0.14857395 0.65820312 0.84283955 0.70039067] | 1H NMR | 400 MHz | CDCl3 | 7.45 (d, J = 8.2 Hz, 2H), 7.29-7.16 (m, 12H), 7.15-7.10 (m, 2H), 7.00 (d, J = 8.7 Hz, 2H), 6.67 (s, 1H), 3.81 (s, 2H), 3.76 (s, 2H), 3.33 (s, 2H), 2.40 (s, 3H) | null | [('d', ['8.2Hz'], '2H', 7.45, 7.45), ('m', [], '12H', 7.29, 7.16), ('m', [], '2H', 7.15, 7.1), ('d', ['8.7Hz'], '2H', 7.0, 7.0), ('s', [], '1H', 6.67, 6.67), ('s', [], '2H', 3.81, 3.81), ('s', [], '2H', 3.76, 3.76), ('s', [], '2H', 3.33, 3.33), ('s', [], '3H', 2.4, 2.4)] | 28 | 15 | 28 |
10.1039_d2ob00964a | N(/C=C(\C[Se]Cc1ccccc1)[Se]Cc1ccccc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 22 | 22 | [0.15133554 0.52734379 0.42031514 0.64453125] | [0.14857395 0.65820312 0.84283955 0.70039067] | 13C NMR | 100 MHz | CDCl3 | 144.38, 138.66, 138.53, 137.58, 134.05, 133.02, 129.80, 129.66, 129.12, 129.04, 129.01, 128.95, 128.58, 128.50, 127.84, 127.49, 127.00, 126.92, 29.05, 28.95, 27.68, 21.63 | null | [(144.38, None, None), (138.66, None, None), (138.53, None, None), (137.58, None, None), (134.05, None, None), (133.02, None, None), (129.8, None, None), (129.66, None, None), (129.12, None, None), (129.04, None, None), (129.01, None, None), (128.95, None, None), (128.58, None, None), (128.5, None, None), (127.84, None... | 30 | 22 | 22 |
10.1039_d2ob00964a | N(/C=C(\C[Se]Cc1ccccc1)[Se]Cc1ccccc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 23 | 23 | [0.15133554 0.09277345 0.39822237 0.20976564] | [0.14912627 0.22285157 0.84394423 0.26503908] | 1H NMR | 400 MHz | CDCl3 | 7.31 (d, J = 8.2 Hz, 2H), 7.25 (d, J = 6.5 Hz, 2H), 7.22-7.17 (m, 10H), 7.11 (d, J = 8.6 Hz, 2H), 6.66 (d, J = 8.6 Hz, 2H), 6.41 (s, 1H), 3.91 (s, 2H), 3.67 (s, 2H), 3.09 (s, 2H), 2.40 (s, 3H) | null | [('d', ['8.2Hz'], '2H', 7.31, 7.31), ('d', ['6.5Hz'], '2H', 7.25, 7.25), ('m', [], '10H', 7.22, 7.17), ('d', ['8.6Hz'], '2H', 7.11, 7.11), ('d', ['8.6Hz'], '2H', 6.66, 6.66), ('s', [], '1H', 6.41, 6.41), ('s', [], '2H', 3.91, 3.91), ('s', [], '2H', 3.67, 3.67), ('s', [], '2H', 3.09, 3.09), ('s', [], '3H', 2.4, 2.4)] | 28 | 15 | 28 |
10.1039_d2ob00964a | N(/C=C(\C[Se]Cc1ccccc1)[Se]Cc1ccccc1)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 | 23 | 23 | [0.15133554 0.09277345 0.39822237 0.20976564] | [0.14912627 0.22285157 0.84394423 0.26503908] | 13C NMR | 100 MHz | CDCl3 | 144.37, 138.79, 138.67, 138.17, 133.73, 133.22, 130.25, 129.65, 129.24, 129.11, 129.02, 129.00, 128.75, 128.52, 128.51, 127.79, 126.89, 126.77, 31.20, 28.38, 26.30, 21.63 | null | [(144.37, None, None), (138.79, None, None), (138.67, None, None), (138.17, None, None), (133.73, None, None), (133.22, None, None), (130.25, None, None), (129.65, None, None), (129.24, None, None), (129.11, None, None), (129.02, None, None), (129.0, None, None), (128.75, None, None), (128.52, None, None), (128.51, Non... | 30 | 22 | 22 |
10.1039_d2ob00964a | C[Se]C/C(=C/N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)[Se]C | 23 | 23 | [0.15133554 0.47265629 0.38496669 0.55078129] | [0.14857395 0.56562504 0.84836274 0.60781255] | 1H NMR | 400 MHz | CDCl3 | 7.45 (d, J = 8.0 Hz, 2H), 7.25-7.21 (m, 4H), 7.06 (d, J = 8.5 Hz, 2H), 6.53 (s, 1H), 3.40 (s, 2H), 2.40 (s, 3H), 2.07 (s, 3H), 1.95 (s, 3H) | null | [('d', ['8.0Hz'], '2H', 7.45, 7.45), ('m', [], '4H', 7.25, 7.21), ('d', ['8.5Hz'], '2H', 7.06, 7.06), ('s', [], '1H', 6.53, 6.53), ('s', [], '2H', 3.4, 3.4), ('s', [], '3H', 2.4, 2.4), ('s', [], '3H', 2.07, 2.07), ('s', [], '3H', 1.95, 1.95)] | 20 | 9 | 20 |
10.1039_d2ob00964a | C[Se]C/C(=C/N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)[Se]C | 23 | 23 | [0.15133554 0.47265629 0.38496669 0.55078129] | [0.14857395 0.56562504 0.84836274 0.60781255] | 13C NMR | 100 MHz | CDCl3 | 144.32, 138.46, 133.99, 133.05, 131.93, 129.61, 128.97, 127.81, 124.64, 28.01, 21.61, 4.74, 4.39 | null | [(144.32, None, None), (138.46, None, None), (133.99, None, None), (133.05, None, None), (131.93, None, None), (129.61, None, None), (128.97, None, None), (127.81, None, None), (124.64, None, None), (28.01, None, None), (21.61, None, None), (4.74, None, None), (4.39, None, None)] | 18 | 14 | 13 |
10.1021_acscatal.6b03373 | C(/C=C(\CC)/CC[SiH2]C1C=CC=CC=1)CC | 6 | 6 | [0.1167739 0.31289064 0.29749542 0.35742191] | [0.11576287 0.17285158 0.88060666 0.20878907] | 13C NMR | 100 MHz | CDCl3 | 135.5, 132.8, 131.7, 130.3, 129.7, 128.1, 32.6, 31.6, 29.4, 28.1, 22.7, 14.2, 10.3 | null | [(135.5, None, None), (132.8, None, None), (131.7, None, None), (130.3, None, None), (129.7, None, None), (128.1, None, None), (32.6, None, None), (31.6, None, None), (29.4, None, None), (28.1, None, None), (22.7, None, None), (14.2, None, None), (10.3, None, None)] | 15 | 13 | 13 |
10.1021_acscatal.6b03373 | [SiH2](CC/C=C/[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1 | 6 | 6 | [0.11551012 0.77929695 0.30482538 0.83906255] | [0.18602942 0.7726563 0.8826287 0.8507813 ] | 13C NMR | 100 MHz | CDCl3 | 150.6, 135.7, 133.1, 130.4, 128.4, 123.1, 32.7, 19.1, 11.3, 9.7 | null | [(150.6, None, None), (135.7, None, None), (133.1, None, None), (130.4, None, None), (128.4, None, None), (123.1, None, None), (32.7, None, None), (19.1, None, None), (11.3, None, None), (9.7, None, None)] | 19 | 10 | 10 |
10.1021_acscatal.6b03373 | C/C(=C\CC[C@@H](C/C=C/CC[SiH2]C1=CC=CC=C1)C)/C | 7 | 7 | [0.11588926 0.18339845 0.39682907 0.21503907] | [0.11626839 0.17041018 0.88363977 0.26953127] | 13C NMR | 100 MHz | CDCl3 | 135.6, 133.2, 132.9, 131.4, 129.8, 128.7, 128.3, 125.3, 40.2, 37.0, 33.1, 28.3, 26.1, 26.0, 19.8, 18.0, 10.5 | null | [(135.6, None, None), (133.2, None, None), (132.9, None, None), (131.4, None, None), (129.8, None, None), (128.7, None, None), (128.3, None, None), (125.3, None, None), (40.2, None, None), (37.0, None, None), (33.1, None, None), (28.3, None, None), (26.1, None, None), (26.0, None, None), (19.8, None, None), (18.0, None... | 19 | 16 | 17 |
10.1021_acscatal.6b03373 | C/C(/C)=C\CC[C@H](C)C/C=C/CC[SiH2]C1=CC=CC=C1 | 7 | 7 | [0.11639477 0.42421877 0.39733458 0.45546877] | [0.38368569 0.41015629 0.88313423 0.50859378] | 1H NMR | 400 MHz | CDCl3 | 7.59-7.56 (m, 4H), 7.40-7.34 (m, 6H), 5.49-5.34(m, 4H), 5.13-5.09 (m, 2H), 4.40-4.30(m, 4H), 2.23-2.15 (m, 4H), 2.04-1.94 (m, 6H), 1.89 | null | [('m', [], '4H', 7.59, 7.56), ('m', [], '6H', 7.4, 7.34), ('m', [], '4H', 5.49, 5.34), ('m', [], '2H', 5.13, 5.09), ('m', [], '4H', 4.4, 4.3), ('m', [], '4H', 2.23, 2.15), ('m', [], '6H', 2.04, 1.94)] | 30 | 15 | 30 |
10.1021_acscatal.6b03373 | C=C(C1CCC(CC[SiH2]C2C=CC=CC=2)=CC1)C | 7 | 7 | [0.11652115 0.6789063 0.300023 0.73906253] | [0.11121325 0.6710938 0.88465084 0.8117188 ] | 13C NMR | 100 MHz | CDCl3 | 150.2, 138.6, 135.2, 132.6, 129.4, 127.9, 119.9, 108.3, 41.2, 32.6, 30.7, 28.5, 27.8, 20.7, 8.2 | null | [(150.2, None, None), (138.6, None, None), (135.2, None, None), (132.6, None, None), (129.4, None, None), (127.9, None, None), (119.9, None, None), (108.3, None, None), (41.2, None, None), (32.6, None, None), (30.7, None, None), (28.5, None, None), (27.8, None, None), (20.7, None, None), (8.2, None, None)] | 17 | 15 | 15 |
10.1021_acscatal.6b03373 | C1(C=CC=CC=1)C1CCC(CC[SiH2]C2C=CC=CC=2)=CC1 | 8 | 8 | [0.11601563 0.10742188 0.30381436 0.15546876] | [0.29218751 0.09135742 0.8826287 0.16914063] | 13C NMR | 400 MHz | CDCl3 | 147.7, 139.2, 135.6, 133.0, 129.9, 128.7, 128.4, 127.3, 126.3, 120.6, 40.6, 33.9, 33.1, 30.4, 29.1, 8.6 | null | [(147.7, None, None), (139.2, None, None), (135.6, None, None), (133.0, None, None), (129.9, None, None), (128.7, None, None), (128.4, None, None), (127.3, None, None), (126.3, None, None), (120.6, None, None), (40.6, None, None), (33.9, None, None), (33.1, None, None), (30.4, None, None), (29.1, None, None), (8.6, Non... | 20 | 16 | 16 |
10.1021_acscatal.6b03373 | [SiH2](CC/C=C/c1ccccc1)c1ccccc1 | 9 | 9 | [0.11626839 0.21523439 0.31038606 0.26132815] | [0.1511489 0.21093752 0.88212326 0.26875001] | 13C NMR | 100 MHz | CDCl3 | 137.0, 133.3, 132.6, 131.4, 129.9, 129.4, 128.7, 128.3, 127.1, 126.3, 28.7, 10.2 | null | [(137.0, None, None), (133.3, None, None), (132.6, None, None), (131.4, None, None), (129.9, None, None), (129.4, None, None), (128.7, None, None), (128.3, None, None), (127.1, None, None), (126.3, None, None), (28.7, None, None), (10.2, None, None)] | 16 | 12 | 12 |
10.1021_acscatal.6b03373 | CCCCCCCCC(/C=C\C)CC[SiH2]c1ccccc1 | 11 | 11 | [0.1167739 0.78125008 0.23961398 0.85312506] | [0.25654874 0.7726563 0.88363977 0.8507813 ] | 13C NMR | 100 MHz | CDCl3 | 135.8, 135.4, 133.0, 129.7, 128.2, 124.3, 39.7, 35.8, 32.1, 31.3, 30.1, 29.9, 29.6, 27.5, 22.9, 14.3, 13.6, 7.8 | null | [(135.8, None, None), (135.4, None, None), (133.0, None, None), (129.7, None, None), (128.2, None, None), (124.3, None, None), (39.7, None, None), (35.8, None, None), (32.1, None, None), (31.3, None, None), (30.1, None, None), (29.9, None, None), (29.6, None, None), (27.5, None, None), (22.9, None, None), (14.3, None, ... | 20 | 18 | 18 |
10.1021_acscatal.6b03373 | CCCCC(/C=C(/O[Si](C)(C)C)C)CC[SiH2]c1ccccc1 | 12 | 12 | [0.11626839 0.19882813 0.26893384 0.26835939] | [0.2851103 0.19072267 0.8826287 0.26953127] | 13C NMR | 100 MHz | CDCl3 | 148.3, 135.6, 133.1, 129.8, 128.3, 114.1, 40.9, 36.4, 32.2, 30.1, 30.0, 23.2, 18.7, 14.5, 8.1 | null | [(148.3, None, None), (135.6, None, None), (133.1, None, None), (129.8, None, None), (128.3, None, None), (114.1, None, None), (40.9, None, None), (36.4, None, None), (32.2, None, None), (30.1, None, None), (30.0, None, None), (23.2, None, None), (18.7, None, None), (14.5, None, None), (8.1, None, None)] | 19 | 15 | 15 |
10.1021_acscatal.6b03373 | CCCCCCCCCC[SiH2]c1ccccc1 | 19 | 18 | [0.11626839 0.13515626 0.26185663 0.15859376] | [0.11475184 0.79687508 0.88161773 0.83125005] | 13C NMR | 100 MHz | CDCl3 | 135.2, 132.8, 129.5, 127.9, 32.8, 31.9, 29.3, 29.2, 25.1, 22.7, 14.1, 10.0 | null | [(135.2, None, None), (132.8, None, None), (129.5, None, None), (127.9, None, None), (32.8, None, None), (31.9, None, None), (29.3, None, None), (29.2, None, None), (25.1, None, None), (22.7, None, None), (14.1, None, None), (10.0, None, None)] | 16 | 14 | 12 |
10.1021_acscatal.6b03373 | [SiH2](C1C=CC=CC=1)CCCCC1C=CC=CC=1 | 20 | 20 | [0.11576287 0.59062503 0.31089157 0.63437502] | [0.32858458 0.57109378 0.8826287 0.64921878] | 13C NMR | 100 MHz | CDCl3 | 142.6, 135.3, 132.7, 129.6, 128.5, 128.4, 128.1, 125.7, 35.7, 34.7, 24.9, 10.1 | null | [(142.6, None, None), (135.3, None, None), (132.7, None, None), (129.6, None, None), (128.5, None, None), (128.4, None, None), (128.1, None, None), (125.7, None, None), (35.7, None, None), (34.7, None, None), (24.9, None, None), (10.1, None, None)] | 16 | 12 | 12 |
10.1021_acscatal.6b03373 | Brc1cccc(CC[SiH2]c2ccccc2)c1 | 21 | 21 | [0.11652115 0.20371094 0.30431987 0.24746095] | [0.32176014 0.19072267 0.88161773 0.24921876] | 13C NMR | 100 MHz | CDCl3 | 146.5, 135.5, 132.0, 131.2, 130.1, 130.0, 129.2, 128.3, 126.8, 122.7, 31.0, 12.2 | null | [(146.5, None, None), (135.5, None, None), (132.0, None, None), (131.2, None, None), (130.1, None, None), (130.0, None, None), (129.2, None, None), (128.3, None, None), (126.8, None, None), (122.7, None, None), (31.0, None, None), (12.2, None, None)] | 14 | 12 | 12 |
10.1021_acscatal.6b03373 | [SiH2](CCc1ccc(-c2ccccc2)c(F)c1)c1ccccc1 | 21 | 21 | [0.11601563 0.83984383 0.30431987 0.88828131] | [0.25882354 0.83203133 0.88161773 0.8898438 ] | 13C NMR | 100 MHz | CDCl3 | 161.1, 158.6, 146.0, 136.1, 130.6, 129.1, 129.0, 128.5, 127.5, 126.4, 126.3, 124.0, 115.6, 115.4, 28.5, 15.4 | null | [(161.1, None, None), (158.6, None, None), (146.0, None, None), (136.1, None, None), (130.6, None, None), (129.1, None, None), (129.0, None, None), (128.5, None, None), (127.5, None, None), (126.4, None, None), (126.3, None, None), (124.0, None, None), (115.6, None, None), (115.4, None, None), (28.5, None, None), (15.4... | 20 | 16 | 16 |
10.1021_acscatal.6b03373 | [SiH2](CCc1ccc2c(c1)OCO2)c1ccccc1 | 22 | 22 | [0.11702666 0.26621096 0.30684744 0.31113284] | [0.11424633 0.24726563 0.88465084 0.3902344 ] | 13C NMR | 100 MHz | CDCl3 | 147.9, 145.9, 138.2, 135.5, 132.4, 129.9, 128.3, 120.8, 108.7, 108.4, 101.0, 31.2, 12.7 | null | [(147.9, None, None), (145.9, None, None), (138.2, None, None), (135.5, None, None), (132.4, None, None), (129.9, None, None), (128.3, None, None), (120.8, None, None), (108.7, None, None), (108.4, None, None), (101.0, None, None), (31.2, None, None), (12.7, None, None)] | 15 | 13 | 13 |
10.1021_acscatal.6b03373 | COC1C=C2C(C=C(C=C2)C(CC[SiH2]C2C=CC=CC=2)C)=CC=1 | 23 | 23 | [0.11576287 0.33164065 0.34425553 0.4058594 ] | [0.36068476 0.33046877 0.8826287 0.41015629] | 13C NMR | 100 MHz | CDCl3 | 157.4, 142.3, 135.4, 133.4, 132.6, 129.7, 129.2, 129.2, 128.1, 127.0, 126.5, 125.5, 118.8, 105.9, 55.4, 42.7, 33.8, 22.1, 8.31 | null | [(157.4, None, None), (142.3, None, None), (135.4, None, None), (133.4, None, None), (132.6, None, None), (129.7, None, None), (129.2, None, None), (129.2, None, None), (128.1, None, None), (127.0, None, None), (126.5, None, None), (125.5, None, None), (118.8, None, None), (105.9, None, None), (55.4, None, None), (42.7... | 21 | 19 | 19 |
10.1021_acscatal.6b03373 | CC(CC[SiH2]c1ccccc1)c1cccc(I)c1 | 23 | 23 | [0.11551012 0.57421879 0.31190259 0.63437502] | [0.32883733 0.57109378 0.8826287 0.64921878] | 13C NMR | 100 MHz | CDCl3 | 150.1, 136.7, 135.7, 130.6, 130.1, 128.8, 128.5, 127.6, 126.9, 95.1, 42.8, 34.0, 22.1, 8.5 | null | [(150.1, None, None), (136.7, None, None), (135.7, None, None), (130.6, None, None), (130.1, None, None), (128.8, None, None), (128.5, None, None), (127.6, None, None), (126.9, None, None), (95.1, None, None), (42.8, None, None), (34.0, None, None), (22.1, None, None), (8.5, None, None)] | 16 | 14 | 14 |
10.1021_acscatal.6b03373 | [SiH](CCC1CCCCC1)(C)c1ccccc1 | 24 | 24 | [0.11576287 0.63281254 0.28460479 0.67812502] | [0.11727941 0.63125005 0.8826287 0.69062505] | 13C NMR | 150 MHz | CDCl3 | 137.4, 134.9, 129.7, 128.4, 41.1, 33.6, 32.4, 27.4, 27.0, 11.0,-5.0 | null | [(137.4, None, None), (134.9, None, None), (129.7, None, None), (128.4, None, None), (41.1, None, None), (33.6, None, None), (32.4, None, None), (27.4, None, None), (27.0, None, None), (11.0, None, None), (-5.0, None, None)] | 15 | 11 | 11 |
10.1021_acscatal.6b03373 | CC1C=CC(C([SiH2]C2C=CC=CC=2)C)=CC=1 | 25 | 25 | [0.11702666 0.51328127 0.24795497 0.57656252] | [0.26387869 0.51171879 0.88363977 0.57109378] | 13C NMR | 100 MHz | CDCl3 | 143.6, 136.2, 136.1, 130.4, 128.9, 128.9, 128.6, 128.4, 25.5, 16.8 | null | [(143.6, None, None), (136.2, None, None), (136.1, None, None), (130.4, None, None), (128.9, None, None), (128.9, None, None), (128.6, None, None), (128.4, None, None), (25.5, None, None), (16.8, None, None)] | 15 | 11 | 10 |
10.1021_acscatal.6b03373 | CC([SiH2]C1=CC=CC=C1)C1=CC=CC(Br)=C1 | 26 | 26 | [0.11626839 0.12636719 0.2537684 0.18613282] | [0.26792282 0.13046875 0.8826287 0.18925782] | 13C NMR | 100 MHz | CDCl3 | 147.2, 135.7, 135.2, 130.1, 130.0, 129.9, 128.1, 128.0, 125.8, 122.6, 25.4, 16.2 | null | [(147.2, None, None), (135.7, None, None), (135.2, None, None), (130.1, None, None), (130.0, None, None), (129.9, None, None), (128.1, None, None), (128.0, None, None), (125.8, None, None), (122.6, None, None), (25.4, None, None), (16.2, None, None)] | 14 | 12 | 12 |
10.1039_c5ob00159e | c1(COC(=O)N(C(C)C)C(C)C)ccccc1 | 1 | 1 | [0.72693021 0.31718751 0.86645229 0.37812501] | [0.103125 0.44531254 0.89273899 0.84843753] | 1H NMR | 400 MHz | CDCl3 | 7.38-7.30 (5H, s), 5.14 (2H, s), 4.12-3.76 (2H, br m), 1.21 (12H, d, J = 6.8 Hz) | null | [('s', [], '5H', 7.38, 7.3), ('s', [], '2H', 5.14, 5.14), ('m', [], '2H', 4.12, 3.76), ('d', ['6.8Hz'], '12H', 1.21, 1.21)] | 21 | 6 | 21 |
10.1039_c5ob00159e | C(OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1ccccc1 | 2 | 2 | [0.58134196 0.09785157 0.76332726 0.16367188] | [0.103125 0.23046877 0.89071695 0.54296879] | 1H NMR | 400 MHz | CDCl3 | 7.44 (2H, br d, J = 6.5 Hz), 7.40-7.32 (3H, m), 6.99 (2H, s), 5.35 (2H, s), 2.88 (1H, septet, J = 6.9 Hz), 2.81 (2H, septet, J = 6.8 Hz), 1.23 (6H, d, J = 6.9 Hz), 1.19 (12H, d, J = 6.8 Hz) | null | [('brd', ['6.5Hz'], '2H', 7.44, 7.44), ('m', [], '3H', 7.4, 7.32), ('s', [], '2H', 6.99, 6.99), ('s', [], '2H', 5.35, 5.35), ('hept', ['6.9Hz'], '1H', 2.88, 2.88), ('hept', ['6.8Hz'], '2H', 2.81, 2.81), ('d', ['6.9Hz'], '6H', 1.23, 1.23), ('d', ['6.8Hz'], '12H', 1.19, 1.19)] | 30 | 9 | 30 |
10.1039_c5ob00159e | CC(C)CB1OCC(C)(C)CO1 | 2 | 2 | [0.58538604 0.68828128 0.76029415 0.76640628] | [0.10413604 0.80312502 0.88869491 0.86562502] | 1H NMR | 400 MHz | CDCl3 | 3.59 (4H, s), 1.82 (1H, nonet, J = 6.7 Hz), 0.96 (6H, s), 0.91 (6H, d, J = 6.6 Hz), 0.66 (2H, d, J = 7.1 Hz) | null | [('s', [], '4H', 3.59, 3.59), ('nonet', ['6.7Hz'], '1H', 1.82, 1.82), ('s', [], '6H', 0.96, 0.96), ('d', ['6.6Hz'], '6H', 0.91, 0.91), ('d', ['7.1Hz'], '2H', 0.66, 0.66)] | 19 | 5 | 19 |
10.1039_c5ob00159e | COc1ccccc1B1OCC(C)(C)CO1 | 4 | 4 | [0.65919121 0.0932129 0.79466916 0.16621095] | [0.10261949 0.21523439 0.89273899 0.50429689] | 1H NMR | 400 MHz | CDCl3 | 7.65 (1H, dd, J = 7.2, 1.1 Hz), 7.36 (1H, td, J = 6.8, 1.6 Hz), 6.94 (1H, t, J = 7.3 Hz), 6.87 (1H, d, J = 8.3 Hz), 3.84 (3H, s), 3.80 (4H, s), 1.04 (6H, s) | null | [('dd', ['7.2Hz', '1.1Hz'], '1H', 7.65, 7.65), ('td', ['6.8Hz', '1.6Hz'], '1H', 7.36, 7.36), ('t', ['7.3Hz'], '1H', 6.94, 6.94), ('d', ['8.3Hz'], '1H', 6.87, 6.87), ('s', [], '3H', 3.84, 3.84), ('s', [], '4H', 3.8, 3.8), ('s', [], '6H', 1.04, 1.04)] | 17 | 7 | 17 |
10.1039_c5ob00159e | C(F)(F)(F)c1cc(B2OCC(C)(C)CO2)cc(C(F)(F)F)c1 | 4 | 4 | [0.64099271 0.52226566 0.80477945 0.59882817] | [0.10413604 0.64375005 0.8826287 0.79687508] | 1H NMR | 400 MHz | CDCl3 | 8.24 (2H, s), 7.91 (1H, s), 3.81 (4H, s), 1.04 (6H, s) | null | [('s', [], '2H', 8.24, 8.24), ('s', [], '1H', 7.91, 7.91), ('s', [], '4H', 3.81, 3.81), ('s', [], '6H', 1.04, 1.04)] | 13 | 4 | 13 |
10.1039_c5ob00159e | CC1(C)COB(c2cccc3ccccc23)OC1 | 5 | 5 | [0.63897062 0.11269532 0.78860299 0.18496095] | [0.103125 0.22734376 0.88920045 0.51640628] | 1H NMR | 400 MHz | CDCl3 | 8.76 (1H, d, J = 8.33 Hz), 8.04 (1H, d, J = 6.8 Hz), 7.90 (1H, d, J = 8.1 Hz), 7.83 (1H, d, J = 8.1 Hz), 7.54-7.43 (3H, m), 3.90 (4H, s), 1.10 (6H, s) | null | [('d', ['8.33Hz'], '1H', 8.76, 8.76), ('d', ['6.8Hz'], '1H', 8.04, 8.04), ('d', ['8.1Hz'], '1H', 7.9, 7.9), ('d', ['8.1Hz'], '1H', 7.83, 7.83), ('m', [], '3H', 7.54, 7.43), ('s', [], '4H', 3.9, 3.9), ('s', [], '6H', 1.1, 1.1)] | 17 | 9 | 17 |
10.1039_c5ob00159e | CC1(C)COB(c2ccc3ccccc3c2)OC1 | 5 | 5 | [0.59852944 0.53437505 0.76737138 0.60546879] | [0.10261949 0.65468752 0.88818938 0.80781255] | 1H NMR | 400 MHz | CDCl3 | 8.37 (1H, s), 7.92-7.80 (4H, m), 7.54-7.43 (2H, m), 3.84 (4H, s), 1.07 (6H, s) | null | [('s', [], '1H', 8.37, 8.37), ('m', [], '4H', 7.92, 7.8), ('m', [], '2H', 7.54, 7.43), ('s', [], '4H', 3.84, 3.84), ('s', [], '6H', 1.07, 1.07)] | 17 | 9 | 17 |
10.1039_c5ob00159e | C(CC)C[C@@H](O)c1ccccc1 | 7 | 7 | [0.80174639 0.54960941 0.88667287 0.58867191] | [0.103125 0.79296883 0.85229781 0.85390627] | 1H NMR | 400 MHz | CDCl3 | 7.37-7.33 (4H, m), 7.30-7.25 (1H, m), 4.75 (1H, dd, J = 7.8, 5.2 Hz), 1.80-1.66 (3H, m), 1.56-1.49 (1H, m), 0.96 (3H, d, J = 6.4 Hz), 0.95 (3H, d, J = 6.4 Hz) | null | [('m', [], '4H', 7.37, 7.33), ('m', [], '1H', 7.3, 7.25), ('dd', ['7.8Hz', '5.2Hz'], '1H', 4.75, 4.75), ('m', [], '3H', 1.8, 1.66), ('m', [], '1H', 1.56, 1.49), ('d', ['6.4Hz'], '3H', 0.96, 0.96), ('d', ['6.4Hz'], '3H', 0.95, 0.95)] | 16 | 9 | 16 |
10.1039_c5ob00159e | c1([C@@H](O)C2CCCCC2)ccccc1 | 9 | 8 | [0.78759197 0.22597658 0.88869491 0.28691407] | [0.10261949 0.84062503 0.8710019 0.87812505] | 1H NMR | 400 MHz | CDCl3 | 7.36-7.20 (5H, m), 4.37 (1H, d, J = 7.2 Hz), 1.99 (1H, dm, J = 12.7 Hz), 1.81-1.73 (2H, m), 1.70-1.57 (2H, m), 1.37 (1H, dm, J = 12.8 Hz), 1.28-0.82 (6H, m) | null | [('m', [], '5H', 7.36, 7.2), ('d', ['7.2Hz'], '1H', 4.37, 4.37), ('m', ['12.7Hz'], '1H', 1.99, 1.99), ('m', [], '2H', 1.81, 1.73), ('m', [], '2H', 1.7, 1.57), ('m', ['12.8Hz'], '1H', 1.37, 1.37), ('m', [], '6H', 1.28, 0.82)] | 18 | 9 | 18 |
10.1039_c5ob00159e | c1([C@@H](O)c2cccc3ccccc23)ccccc1 | 12 | 12 | [0.76636031 0.6164063 0.88869491 0.68203127] | [0.10464155 0.88750003 0.87757355 0.91875003] | 1H NMR | 400 MHz | CDCl3 | 7.91 (1H, s), 7.86-7.78 (3H, m), 7.50-7.46 (3H, m), 7.45-7.41 (2H, m), 7.35 (2H, tm, J = 7.7 Hz), 7.28 (1H, dm, J = 7.2 Hz), 6.02 (1H, s), 1.70 (1H, br s) | null | [('s', [], '1H', 7.91, 7.91), ('m', [], '3H', 7.86, 7.78), ('m', [], '3H', 7.5, 7.46), ('m', [], '2H', 7.45, 7.41), ('m', ['7.7Hz'], '2H', 7.35, 7.35), ('m', ['7.2Hz'], '1H', 7.28, 7.28), ('s', [], '1H', 6.02, 6.02), ('brs', [], '1H', 1.7, 1.7)] | 14 | 12 | 14 |
10.1039_c5ob00159e | [Si](C)(C)(c1ccccc1)C(B1OC(C)(C)C(C)(C)O1)C1CCCCC1 | 17 | 16 | [0.7471508 0.33476566 0.89071695 0.40859377] | [0.10363052 0.7414063 0.89021142 0.84843753] | 1H NMR | 400 MHz | CDCl3 | 7.57-7.52 (2H, m), 7.34-7.29 (3H, m), 1.72 (1H, br d, J = 9.8 Hz), 1.68-1.50 (7H, m), 1.25-1.05 (2H, m), 1.17 (6H, s), 1.12 (6H, s), 0.96-0.85 (1H, m), 0.67 (1H, d, J = 7.8 Hz), 0.34 (3H, s), 0.33 (3H, s) | null | [('m', [], '2H', 7.57, 7.52), ('m', [], '3H', 7.34, 7.29), ('brd', ['9.8Hz'], '1H', 1.72, 1.72), ('m', [], '7H', 1.68, 1.5), ('m', [], '2H', 1.25, 1.05), ('s', [], '6H', 1.17, 1.17), ('s', [], '6H', 1.12, 1.12), ('m', [], '1H', 0.96, 0.85), ('d', ['7.8Hz'], '1H', 0.67, 0.67), ('s', [], '3H', 0.34, 0.34), ('s', [], '3H'... | 35 | 10 | 35 |
10.1039_c8cc03131b | Cc1ccc2c(c1)C(=O)C(O)C2 | 2 | 2 | [0.4385417 0.41640626 0.55729039 0.45546876] | [0.08726648 0.45781253 0.90801331 0.52500002] | 1H NMR | 500 MHz | CDCl3 | 7.56 (s, 1H), 7.46 (dd, J = 7.9, 1.5 Hz, 1H), 7.35 (d, J = 7.6 Hz, 1H), 4.54 (ddd, J = 7.7, 5.1, 2.8 Hz, 1H), 3.54 (dd, J = 16.3, 7.8 Hz, 1H), 3.30-3.24 (m, 1H), 2.97 (dd, J = 16.3, 5.0 Hz, 1H), 2.40 (s, 3H) | null | [('s', [], '1H', 7.56, 7.56), ('dd', ['7.9Hz', '1.5Hz'], '1H', 7.46, 7.46), ('d', ['7.6Hz'], '1H', 7.35, 7.35), ('ddd', ['7.7Hz', '5.1Hz', '2.8Hz'], '1H', 4.54, 4.54), ('dd', ['16.3Hz', '7.8Hz'], '1H', 3.54, 3.54), ('m', [], '1H', 3.3, 3.24), ('dd', ['16.3Hz', '5.0Hz'], '1H', 2.97, 2.97), ('s', [], '3H', 2.4, 2.4)] | 10 | 7 | 10 |
10.1039_c8cc03131b | Cc1ccc2c(c1)C(=O)C(O)C2 | 2 | 2 | [0.4385417 0.41640626 0.55729039 0.45546876] | [0.08726648 0.45781253 0.90801331 0.52500002] | 13C NMR | 126 MHz | CDCl3 | 206.6, 148.2, 138.0, 137.1, 134.1, 126.4, 124.3, 74.5, 34.8, 21.1 | null | [(206.6, None, None), (148.2, None, None), (138.0, None, None), (137.1, None, None), (134.1, None, None), (126.4, None, None), (124.3, None, None), (74.5, None, None), (34.8, None, None), (21.1, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | COc1ccc2c(c1)C(=O)C(O)C2 | 2 | 2 | [0.43633239 0.55390629 0.55729039 0.59140627] | [0.0878188 0.59375004 0.90746097 0.66093753] | 1H NMR | 300 MHz | CDCl3 | 7.41-7.32 (m, 1H), 7.26-7.15 (m, 2H), 4.61-4.46 (m, 1H), 3.84 (s, 3H), 3.52 (dd, J = 16.3, 7.8 Hz, 1H), 3.01-2.84 (m, 2H) | null | [('m', [], '1H', 7.41, 7.32), ('m', [], '2H', 7.26, 7.15), ('m', [], '1H', 4.61, 4.46), ('s', [], '3H', 3.84, 3.84), ('dd', ['16.3Hz', '7.8Hz'], '1H', 3.52, 3.52), ('m', [], '2H', 3.01, 2.84)] | 10 | 7 | 10 |
10.1039_c8cc03131b | COc1ccc2c(c1)C(=O)C(O)C2 | 2 | 2 | [0.43633239 0.55390629 0.55729039 0.59140627] | [0.0878188 0.59375004 0.90746097 0.66093753] | 13C NMR | 75 MHz | CDCl3 | 206.6, 159.6, 143.7, 135.0, 127.5, 125.1, 105.6, 74.8, 55.6, 34.5 | null | [(206.6, None, None), (159.6, None, None), (143.7, None, None), (135.0, None, None), (127.5, None, None), (125.1, None, None), (105.6, None, None), (74.8, None, None), (55.6, None, None), (34.5, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | Cc1ccc2c(c1)CC(O)C2=O | 2 | 2 | [0.43964633 0.68828128 0.55784273 0.72890626] | [0.08837112 0.73046882 0.90801331 0.79765628] | 1H NMR | 300 MHz | CDCl3 | 7.65 (d, J = 7.9 Hz, 1H), 7.27-7.26 (m, 1H), 7.21 (d, J = 7.6 Hz, 1H), 4.53 (dd, J = 7.8, 5.0 Hz, 1H), 3.52 (dd, J = 16.5, 7.9 Hz, 1H), 3.36 (bs, 1H), 2.97 (dd, J = 16.5, 4.9 Hz, 1H), 2.45 (s, 3H) | null | [('d', ['7.9Hz'], '1H', 7.65, 7.65), ('m', [], '1H', 7.27, 7.26), ('d', ['7.6Hz'], '1H', 7.21, 7.21), ('dd', ['7.8Hz', '5.0Hz'], '1H', 4.53, 4.53), ('dd', ['16.5Hz', '7.9Hz'], '1H', 3.52, 3.52), ('brs', [], '1H', 3.36, 3.36), ('dd', ['16.5Hz', '4.9Hz'], '1H', 2.97, 2.97), ('s', [], '3H', 2.45, 2.45)] | 10 | 7 | 10 |
10.1039_c8cc03131b | Cc1ccc2c(c1)CC(O)C2=O | 2 | 2 | [0.43964633 0.68828128 0.55784273 0.72890626] | [0.08837112 0.73046882 0.90801331 0.79765628] | 13C NMR | 126 MHz | CDCl3 | 206.0, 151.4, 147.3, 131.6, 129.2, 127.1, 124.3, 74.3, 35.0, 22.2 | null | [(206.0, None, None), (151.4, None, None), (147.3, None, None), (131.6, None, None), (129.2, None, None), (127.1, None, None), (124.3, None, None), (74.3, None, None), (35.0, None, None), (22.2, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O=C1c2ccc(Cl)cc2CC1O | 2 | 2 | [0.44406489 0.82421882 0.55121485 0.86484381] | [0.08726648 0.86640629 0.90690863 0.90703128] | 1H NMR | 300 MHz | CDCl3 | 7.70 (d, J = 8.2 Hz, 1H), 7.47 (s, 1H), 7.39 (d, J = 8.5 Hz, 1H), 4.57-4.52 (m, 1H), 3.56 (dd, J = 17.0, 7.9 Hz, 1H), 3.04-2.97 (m, 2H) | null | [('d', ['8.2Hz'], '1H', 7.7, 7.7), ('s', [], '1H', 7.47, 7.47), ('d', ['8.5Hz'], '1H', 7.39, 7.39), ('m', [], '1H', 4.57, 4.52), ('dd', ['17.0Hz', '7.9Hz'], '1H', 3.56, 3.56), ('m', [], '2H', 3.04, 2.97)] | 7 | 6 | 7 |
10.1039_c8cc03131b | O=C1c2ccc(Cl)cc2CC1O | 2 | 2 | [0.44406489 0.82421882 0.55121485 0.86484381] | [0.08726648 0.86640629 0.90690863 0.90703128] | 13C NMR | 126 MHz | CDCl3 | 205.0, 152.3, 142.4, 132.4, 128.9, 127.0, 125.6, 74.1, 34.9 | null | [(205.0, None, None), (152.3, None, None), (142.4, None, None), (132.4, None, None), (128.9, None, None), (127.0, None, None), (125.6, None, None), (74.1, None, None), (34.9, None, None)] | 9 | 9 | 9 |
10.1039_c8cc03131b | O=C1c2ccc(Br)cc2CC1O | 3 | 3 | [0.44075095 0.1506836 0.55563342 0.19248047] | [0.08837112 0.20429688 0.90801331 0.27070313] | 1H NMR | 300 MHz | CDCl3 | 7.75-7.49 (m, 3H), 4.53 (dd, J = 7.8, 5.1 Hz, 1H), 3.56 (dd, J = 16.7, 7.9 Hz, 1H), 3.01 (dd, J = 16.9, 4.8 Hz, 1H), 2.91 (bs, 1H) | null | [('m', [], '3H', 7.75, 7.49), ('dd', ['7.8Hz', '5.1Hz'], '1H', 4.53, 4.53), ('dd', ['16.7Hz', '7.9Hz'], '1H', 3.56, 3.56), ('dd', ['16.9Hz', '4.8Hz'], '1H', 3.01, 3.01), ('brs', [], '1H', 2.91, 2.91)] | 7 | 6 | 7 |
10.1039_c8cc03131b | O=C1c2ccc(Br)cc2CC1O | 3 | 3 | [0.44075095 0.1506836 0.55563342 0.19248047] | [0.08837112 0.20429688 0.90801331 0.27070313] | 13C NMR | 126 MHz | CDCl3 | 205.2, 152.4, 132.8, 131.7, 131.3, 130.1, 125.6, 74.0, 34.8 | null | [(205.2, None, None), (152.4, None, None), (132.8, None, None), (131.7, None, None), (131.3, None, None), (130.1, None, None), (125.6, None, None), (74.0, None, None), (34.8, None, None)] | 9 | 9 | 9 |
10.1039_c8cc03131b | O=C1c2cc(Br)ccc2CC1O | 3 | 3 | [0.43909399 0.29843752 0.55729039 0.33789066] | [0.08837112 0.34062503 0.90690863 0.40703128] | 1H NMR | 500 MHz | CDCl3 | 7.88 (d, J = 2.1 Hz, 1H), 7.74 (dd, J = 8.1, 2.0 Hz, 1H), 7.36 (d, J = 8.2 Hz, 1H), 4.58 (dd, J = 7.9, 5.2 Hz, 1H), 3.54 (dd, J = 16.6, 7.8 Hz, 1H), 3.27 (bs, 1H), 2.96 (ddd, J = 16.9, 5.3, 0.8 Hz, 1H) | null | [('d', ['2.1Hz'], '1H', 7.88, 7.88), ('dd', ['8.1Hz', '2.0Hz'], '1H', 7.74, 7.74), ('d', ['8.2Hz'], '1H', 7.36, 7.36), ('dd', ['7.9Hz', '5.2Hz'], '1H', 4.58, 4.58), ('dd', ['16.6Hz', '7.8Hz'], '1H', 3.54, 3.54), ('brs', [], '1H', 3.27, 3.27), ('ddd', ['16.9Hz', '5.3Hz', '0.8Hz'], '1H', 2.96, 2.96)] | 7 | 6 | 7 |
10.1039_c8cc03131b | O=C1c2cc(Br)ccc2CC1O | 3 | 3 | [0.43909399 0.29843752 0.55729039 0.33789066] | [0.08837112 0.34062503 0.90690863 0.40703128] | 13C NMR | 126 MHz | CDCl3 | 205.1, 149.4, 138.6, 135.8, 128.4, 127.3, 122.1, 74.4, 34.7 | null | [(205.1, None, None), (149.4, None, None), (138.6, None, None), (135.8, None, None), (128.4, None, None), (127.3, None, None), (122.1, None, None), (74.4, None, None), (34.7, None, None)] | 9 | 9 | 9 |
10.1039_c8cc03131b | O=C1c2ccc(F)cc2CC1O | 3 | 3 | [0.44461718 0.44453126 0.55176719 0.48515628] | [0.08837112 0.49765627 0.90801331 0.59140627] | 1H NMR | 300 MHz | CDCl3 | 7.79 (dd, J = 8.2, 5.3 Hz, 1H), 7.21-7.05 (m, 2H), 4.54 (ddd, J = 7.6, 5.2, 2.2 Hz, 1H), 3.57 (dd, J = 16.7, 7.9 Hz, 1H), 3.02 (dd, J = 16.7, 4.7 Hz, 1H), 2.92-2.91 (m, 1H) | null | [('dd', ['8.2Hz', '5.3Hz'], '1H', 7.79, 7.79), ('m', [], '2H', 7.21, 7.05), ('ddd', ['7.6Hz', '5.2Hz', '2.2Hz'], '1H', 4.54, 4.54), ('dd', ['16.7Hz', '7.9Hz'], '1H', 3.57, 3.57), ('dd', ['16.7Hz', '4.7Hz'], '1H', 3.02, 3.02), ('m', [], '1H', 2.92, 2.91)] | 7 | 6 | 7 |
10.1039_c8cc03131b | O=C1c2ccc(F)cc2CC1O | 3 | 3 | [0.44461718 0.44453126 0.55176719 0.48515628] | [0.08837112 0.49765627 0.90801331 0.59140627] | 13C NMR | 176 MHz | CDCl3 | 204.5, 167.8 (d, J = 257.7 Hz), 153.9 (d, J = 10.9 Hz), 130.4 (d, J = 1.7 Hz), 126.9 (d, J = 10.9 Hz), 116.4 (d, J = 24.3 Hz), 113.5 (d, J = 22.6 Hz), 74.1, 35.1 (d, J = 2.5 Hz) | null | [(204.5, None, None), (167.8, 'd', 257.7), (153.9, 'd', 10.9), (130.4, 'd', 1.7), (126.9, 'd', 10.9), (116.4, 'd', 24.3), (113.5, 'd', 22.6), (74.1, None, None), (35.1, 'd', 2.5)] | 9 | 9 | 9 |
10.1039_c8cc03131b | COc1ccc2c(c1)CCC(O)C2=O | 3 | 3 | [0.43412313 0.62812504 0.56226124 0.67187507] | [0.08726648 0.68203126 0.90801331 0.76171882] | 1H NMR | 500 MHz | CDCl3 | 8.01 (d, J = 8.5 Hz, 1H), 6.90-6.82 (m, 1H), 6.74-6.66 (m, 1H), 4.33 (ddd, J = 13.4, 5.5, 1.8 Hz, 1H), 3.95 (d, J = 1.8 Hz, 1H), 3.87 (s, 3H), 3.17-3.05 (m, 1H), 3.04-2.93 (m, 1H), 2.58-2.44 (m, 1H), 2.02 (qd, J = 13.0, 4.6 Hz, 1H) | null | [('d', ['8.5Hz'], '1H', 8.01, 8.01), ('m', [], '1H', 6.9, 6.82), ('m', [], '1H', 6.74, 6.66), ('ddd', ['13.4Hz', '5.5Hz', '1.8Hz'], '1H', 4.33, 4.33), ('d', ['1.8Hz'], '1H', 3.95, 3.95), ('s', [], '3H', 3.87, 3.87), ('m', [], '1H', 3.17, 3.05), ('m', [], '1H', 3.04, 2.93), ('m', [], '1H', 2.58, 2.44), ('qd', ['13.0Hz',... | 12 | 8 | 12 |
10.1039_c8cc03131b | COc1ccc2c(c1)CCC(O)C2=O | 3 | 3 | [0.43412313 0.62812504 0.56226124 0.67187507] | [0.08726648 0.68203126 0.90801331 0.76171882] | 13C NMR | 126 MHz | CDCl3 | 198.1, 164.2, 146.9, 130.0, 123.8, 113.6, 112.7, 73.5, 55.5, 31.8, 28.0 | null | [(198.1, None, None), (164.2, None, None), (146.9, None, None), (130.0, None, None), (123.8, None, None), (113.6, None, None), (112.7, None, None), (73.5, None, None), (55.5, None, None), (31.8, None, None), (28.0, None, None)] | 11 | 11 | 11 |
10.1039_c8cc03131b | COc1ccc2c(c1)C(=O)C(O)CC2 | 3 | 3 | [0.43412313 0.80078132 0.56226124 0.84140631] | [0.08726648 0.85390626 0.90746097 0.90703128] | 1H NMR | 300 MHz | CDCl3 | 7.50 (d, J = 2.6 Hz, 1H), 7.19 (d, J = 8.5 Hz, 1H), 7.11 (dd, J = 8.5, 2.9 Hz, 1H), 4.37 (ddd, J = 13.6, 5.4, 1.9 Hz, 1H), 3.93-3.87 (m, 1H), 3.85 (s, 3H), 3.16-2.93 (m, 2H), 2.59-2.46 (m, 1H), 2.03 (qd, J = 12.9, 5.0 Hz, 1H) | null | [('d', ['2.6Hz'], '1H', 7.5, 7.5), ('d', ['8.5Hz'], '1H', 7.19, 7.19), ('dd', ['8.5Hz', '2.9Hz'], '1H', 7.11, 7.11), ('ddd', ['13.6Hz', '5.4Hz', '1.9Hz'], '1H', 4.37, 4.37), ('m', [], '1H', 3.93, 3.87), ('s', [], '3H', 3.85, 3.85), ('m', [], '2H', 3.16, 2.93), ('m', [], '1H', 2.59, 2.46), ('qd', ['12.9Hz', '5.0Hz'], '1... | 12 | 8 | 12 |
10.1039_c8cc03131b | COc1ccc2c(c1)C(=O)C(O)CC2 | 3 | 3 | [0.43412313 0.80078132 0.56226124 0.84140631] | [0.08726648 0.85390626 0.90746097 0.90703128] | 13C NMR | 75 MHz | CDCl3 | 199.5, 158.3, 136.8, 131.1, 130.0, 122.4, 109.2, 73.8, 55.4, 32.0, 26.9 | null | [(199.5, None, None), (158.3, None, None), (136.8, None, None), (131.1, None, None), (130.0, None, None), (122.4, None, None), (109.2, None, None), (73.8, None, None), (55.4, None, None), (32.0, None, None), (26.9, None, None)] | 11 | 11 | 11 |
10.1039_c8cc03131b | O=C1c2cc(Cl)ccc2CCC1O | 4 | 4 | [0.4385417 0.15078126 0.55784273 0.19179689] | [0.08726648 0.20429688 0.90801331 0.28437501] | 1H NMR | 500 MHz | CDCl3 | 8.00 (d, J = 2.1 Hz, 1H), 7.48 (dd, J = 8.2, 2.4 Hz, 1H), 7.23 (d, J = 8.2 Hz, 1H), 4.38 (ddd, J = 13.4, 5.5, 1.8 Hz, 1H), 3.81 (d, J = 1.8 Hz, 1H), 3.18-2.97 (m, 2H), 2.60-2.47 (m, 1H), 2.04 (qd, J = 13.0, 4.9 Hz, 1H) | null | [('d', ['2.1Hz'], '1H', 8.0, 8.0), ('dd', ['8.2Hz', '2.4Hz'], '1H', 7.48, 7.48), ('d', ['8.2Hz'], '1H', 7.23, 7.23), ('ddd', ['13.4Hz', '5.5Hz', '1.8Hz'], '1H', 4.38, 4.38), ('d', ['1.8Hz'], '1H', 3.81, 3.81), ('m', [], '2H', 3.18, 2.97), ('m', [], '1H', 2.6, 2.47), ('qd', ['13.0Hz', '4.9Hz'], '1H', 2.04, 2.04)] | 9 | 7 | 9 |
10.1039_c8cc03131b | O=C1c2cc(Cl)ccc2CCC1O | 4 | 4 | [0.4385417 0.15078126 0.55784273 0.19179689] | [0.08726648 0.20429688 0.90801331 0.28437501] | 13C NMR | 126 MHz | CDCl3 | 198.5, 142.5, 134.0, 133.2, 131.7, 130.5, 127.2, 73.8, 31.6, 27.2 | null | [(198.5, None, None), (142.5, None, None), (134.0, None, None), (133.2, None, None), (131.7, None, None), (130.5, None, None), (127.2, None, None), (73.8, None, None), (31.6, None, None), (27.2, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O=C1c2cc(Br)ccc2CCC1O | 4 | 4 | [0.44019867 0.32187502 0.55508113 0.36328129] | [0.0878188 0.3746094 0.9107749 0.45507816] | 1H NMR | 500 MHz | CDCl3 | 8.16 (d, J = 2.1 Hz, 1H), 7.63 (dd, J = 8.2, 2.1 Hz, 1H), 7.17 (d, J = 8.2 Hz, 1H), 4.38 (ddd, J = 13.5, 5.4, 1.8 Hz, 1H), 3.81 (d, J = 1.8 Hz, 1H), 3.14-2.95 (m, 2H), 2.54 (dddd, J = 12.7, 5.4, 4.5, 2.8 Hz, 1H), 2.12-1.96 (m, 1H) | null | [('d', ['2.1Hz'], '1H', 8.16, 8.16), ('dd', ['8.2Hz', '2.1Hz'], '1H', 7.63, 7.63), ('d', ['8.2Hz'], '1H', 7.17, 7.17), ('ddd', ['13.5Hz', '5.4Hz', '1.8Hz'], '1H', 4.38, 4.38), ('d', ['1.8Hz'], '1H', 3.81, 3.81), ('m', [], '2H', 3.14, 2.95), ('dddd', ['12.7Hz', '5.4Hz', '4.5Hz', '2.8Hz'], '1H', 2.54, 2.54), ('m', [], '1... | 9 | 7 | 9 |
10.1039_c8cc03131b | O=C1c2cc(Br)ccc2CCC1O | 4 | 4 | [0.44019867 0.32187502 0.55508113 0.36328129] | [0.0878188 0.3746094 0.9107749 0.45507816] | 13C NMR | 126 MHz | CDCl3 | 198.4, 143.0, 136.9, 132.0, 130.7, 130.3, 120.9, 73.7, 31.5, 27.3 | null | [(198.4, None, None), (143.0, None, None), (136.9, None, None), (132.0, None, None), (130.7, None, None), (130.3, None, None), (120.9, None, None), (73.7, None, None), (31.5, None, None), (27.3, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O=C1c2ccc(Br)cc2CCC1O | 4 | 4 | [0.44075095 0.49140629 0.55508113 0.53515629] | [0.08726648 0.54609379 0.90967022 0.62421879] | 1H NMR | 500 MHz | CDCl3 | 7.90 (d, J = 8.2 Hz, 1H), 7.55-7.41 (m, 2H), 4.37 (ddd, J = 13.4, 5.3, 1.7 Hz, 1H), 3.91-3.80 (m, 1H), 3.21-3.08 (m, 1H), 3.06-2.95 (m, 1H), 2.57-2.48 (m, 1H), 2.04 (qd, J = 13.1, 4.6 Hz, 1H) | null | [('d', ['8.2Hz'], '1H', 7.9, 7.9), ('m', [], '2H', 7.55, 7.41), ('ddd', ['13.4Hz', '5.3Hz', '1.7Hz'], '1H', 4.37, 4.37), ('m', [], '1H', 3.91, 3.8), ('m', [], '1H', 3.21, 3.08), ('m', [], '1H', 3.06, 2.95), ('m', [], '1H', 2.57, 2.48), ('qd', ['13.1Hz', '4.6Hz'], '1H', 2.04, 2.04)] | 9 | 7 | 9 |
10.1039_c8cc03131b | O=C1c2ccc(Br)cc2CCC1O | 4 | 4 | [0.44075095 0.49140629 0.55508113 0.53515629] | [0.08726648 0.54609379 0.90967022 0.62421879] | 13C NMR | 126 MHz | CDCl3 | 198.7, 145.9, 131.9, 130.4, 129.5, 129.2, 129.1, 73.7, 31.5, 27.4 | null | [(198.7, None, None), (145.9, None, None), (131.9, None, None), (130.4, None, None), (129.5, None, None), (129.2, None, None), (129.1, None, None), (73.7, None, None), (31.5, None, None), (27.4, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O=C1c2cc(F)ccc2CCC1O | 4 | 4 | [0.44516952 0.66328129 0.55121485 0.70546876] | [0.08726648 0.71640631 0.90801331 0.81015631] | 1H NMR | 300 MHz | CDCl3 | 7.70 (dd, J = 8.8, 2.4 Hz, 1H), 7.33-7.17 (m, 2H), 4.39 (ddd, J = 13.6, 5.4, 1.8 Hz, 1H), 3.82 (s, 1H), 3.17-2.99 (m, 2H), 2.61-2.47 (m, 1H), 2.15-1.95 (m, 1H) | null | [('dd', ['8.8Hz', '2.4Hz'], '1H', 7.7, 7.7), ('m', [], '2H', 7.33, 7.17), ('ddd', ['13.6Hz', '5.4Hz', '1.8Hz'], '1H', 4.39, 4.39), ('s', [], '1H', 3.82, 3.82), ('m', [], '2H', 3.17, 2.99), ('m', [], '1H', 2.61, 2.47), ('m', [], '1H', 2.15, 1.95)] | 9 | 7 | 9 |
10.1039_c8cc03131b | O=C1c2cc(F)ccc2CCC1O | 4 | 4 | [0.44516952 0.66328129 0.55121485 0.70546876] | [0.08726648 0.71640631 0.90801331 0.81015631] | 13C NMR | 75 MHz | CDCl3 | 198.6 (d, J = 1.7 Hz), 161.4 (d, J = 247.1 Hz), 139.9 (d, J = 2.8 Hz), 131.9 (d, J = 6.6 Hz), 130.7 (d, J = 7.2 Hz), 121.4 (d, J = 22.7 Hz), 113.2 (d, J = 22.1 Hz), 73.7, 31.7, 27.0 | null | [(198.6, 'd', 1.7), (161.4, 'd', 247.1), (139.9, 'd', 2.8), (131.9, 'd', 6.6), (130.7, 'd', 7.2), (121.4, 'd', 22.7), (113.2, 'd', 22.1), (73.7, None, None), (31.7, None, None), (27.0, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | [N+](c1ccc2c(c1)C(=O)C(O)CC2)(=O)[O-] | 4 | 4 | [0.43633239 0.83750006 0.56005198 0.87812504] | [0.08671416 0.88125001 0.90801331 0.90625007] | 1H NMR | 300 MHz | CDCl3 | 8.88 (d, J = 2.4 Hz, 1H), 8.36 (dd, J = 8.4, 2.5 Hz, 1H), 7.49 (d, J = 8.5 Hz, 1H), 4.51-4.43 (m, 1H), 3.77-3.76 (m, 1H), 3.28-3.17 (m, 2H), 2.66-2.57 (m, 1H), 2.18-2.05 (m, 1H) | null | [('d', ['2.4Hz'], '1H', 8.88, 8.88), ('dd', ['8.4Hz', '2.5Hz'], '1H', 8.36, 8.36), ('d', ['8.5Hz'], '1H', 7.49, 7.49), ('m', [], '1H', 4.51, 4.43), ('m', [], '1H', 3.77, 3.76), ('m', [], '2H', 3.28, 3.17), ('m', [], '1H', 2.66, 2.57), ('m', [], '1H', 2.18, 2.05)] | 9 | 7 | 9 |
10.1039_c8cc03131b | [N+](c1ccc2c(c1)C(=O)C(O)CC2)(=O)[O-] | 4 | 4 | [0.43633239 0.83750006 0.56005198 0.87812504] | [0.08671416 0.88125001 0.90801331 0.90625007] | 13C NMR | 126 MHz | CDCl3 | 197.7, 150.6, 147.1, 131.4, 130.4, 127.8, 122.9, 73.7, 31.0, 27.9 | null | [(197.7, None, None), (150.6, None, None), (147.1, None, None), (131.4, None, None), (130.4, None, None), (127.8, None, None), (122.9, None, None), (73.7, None, None), (31.0, None, None), (27.9, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | c1(C(=O)C(C)O)ccccc1 | 5 | 5 | [0.46919544 0.16855469 0.52718898 0.20644533] | [0.08837112 0.20937501 0.90911788 0.26289063] | 1H NMR | 300 MHz | CDCl3 | 8.00-7.85 (m, 2H), 7.71-7.57 (m, 1H), 7.57-7.43 (m, 2H), 5.18 (quin, J = 6.9 Hz, 1H), 3.81 (d, J = 6.5 Hz, 1H), 1.46 (d, J = 7.0 Hz, 3H) | null | [('m', [], '2H', 8.0, 7.85), ('m', [], '1H', 7.71, 7.57), ('m', [], '2H', 7.57, 7.43), ('p', ['6.9Hz'], '1H', 5.18, 5.18), ('d', ['6.5Hz'], '1H', 3.81, 3.81), ('d', ['7.0Hz'], '3H', 1.46, 1.46)] | 10 | 6 | 10 |
10.1039_c8cc03131b | Cc1ccc2c(c1)C(=O)C(O)CCC2 | 5 | 5 | [0.44075095 0.4996094 0.55452879 0.54335939] | [0.08726648 0.55468754 0.91132714 0.6328125 ] | 1H NMR | 300 MHz | CDCl3 | 7.69 (d, J = 7.6 Hz, 1H), 7.40-7.28 (m, 1H), 7.25-7.18 (m, 1H), 4.59-4.45 (m, 1H), 3.84 (d, J = 4.4 Hz, 1H), 3.12-2.92 (m, 1H), 2.92-2.73 (m, 1H), 2.46-2.27 (m, 4H), 2.20-2.03 (m, 1H), 1.79-1.64 (m, 2H) | null | [('d', ['7.6Hz'], '1H', 7.69, 7.69), ('m', [], '1H', 7.4, 7.28), ('m', [], '1H', 7.25, 7.18), ('m', [], '1H', 4.59, 4.45), ('d', ['4.4Hz'], '1H', 3.84, 3.84), ('m', [], '1H', 3.12, 2.92), ('m', [], '1H', 2.92, 2.73), ('m', [], '4H', 2.46, 2.27), ('m', [], '1H', 2.2, 2.03), ('m', [], '2H', 1.79, 1.64)] | 14 | 9 | 14 |
10.1039_c8cc03131b | Cc1ccc2c(c1)C(=O)C(O)CCC2 | 5 | 5 | [0.44075095 0.4996094 0.55452879 0.54335939] | [0.08726648 0.55468754 0.91132714 0.6328125 ] | 13C NMR | 176 MHz | CDCl3 | 205.8, 141.2, 136.6, 136.3, 134.5, 127.4, 126.2, 75.7, 32.6, 28.9, 23.1, 20.4 | null | [(205.8, None, None), (141.2, None, None), (136.6, None, None), (136.3, None, None), (134.5, None, None), (127.4, None, None), (126.2, None, None), (75.7, None, None), (32.6, None, None), (28.9, None, None), (23.1, None, None), (20.4, None, None)] | 12 | 12 | 12 |
10.1039_c8cc03131b | O(C1Cc2ccccc2C1=O)C(F)(F)F | 5 | 5 | [0.44793112 0.76953132 0.54845325 0.80703126] | [0.08726648 0.80937503 0.90801331 0.89062507] | 1H NMR | 500 MHz | CDCl3 | 7.82 (d, J = 7.6 Hz, 1H), 7.72-7.64 (m, 1H), 7.51-7.40 (m, 2H), 4.96-4.91 (m, 1H), 3.68 (dd, J = 16.8, 7.9 Hz, 1H), 3.26 (dd, J = 16.9, 4.7 Hz, 1H) | null | [('d', ['7.6Hz'], '1H', 7.82, 7.82), ('m', [], '1H', 7.72, 7.64), ('m', [], '2H', 7.51, 7.4), ('m', [], '1H', 4.96, 4.91), ('dd', ['16.8Hz', '7.9Hz'], '1H', 3.68, 3.68), ('dd', ['16.9Hz', '4.7Hz'], '1H', 3.26, 3.26)] | 7 | 6 | 7 |
10.1039_c8cc03131b | O(C1Cc2ccccc2C1=O)C(F)(F)F | 5 | 5 | [0.44793112 0.76953132 0.54845325 0.80703126] | [0.08726648 0.80937503 0.90801331 0.89062507] | 13C NMR | 126 MHz | CDCl3 | 197.5, 149.5, 136.4, 133.6, 128.6, 126.6, 124.8, 121.9 (q, J = 256.7 Hz), 76.5 (q, J = 2.4 Hz), 33.7 | null | [(197.5, None, None), (149.5, None, None), (136.4, None, None), (133.6, None, None), (128.6, None, None), (126.6, None, None), (124.8, None, None), (121.9, 'q', 256.7), (76.5, 'q', 2.4), (33.7, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O(C1Cc2ccc(C)cc2C1=O)C(F)(F)F | 6 | 6 | [0.43412313 0.10253907 0.56226124 0.13925782] | [0.08726648 0.14296876 0.90690863 0.22246095] | 1H NMR | 500 MHz | CDCl3 | 7.61 (s, 1H), 7.50 (dd, J = 7.8, 1.4 Hz, 1H), 7.35 (d, J = 7.9 Hz, 1H), 4.91 (dd, J = 7.9, 4.9 Hz, 1H), 3.62 (dd, J = 16.8, 7.9 Hz, 1H), 3.19 (dd, J = 16.8, 4.9 Hz, 1H), 2.42 (s, 3H) | null | [('s', [], '1H', 7.61, 7.61), ('dd', ['7.8Hz', '1.4Hz'], '1H', 7.5, 7.5), ('d', ['7.9Hz'], '1H', 7.35, 7.35), ('dd', ['7.9Hz', '4.9Hz'], '1H', 4.91, 4.91), ('dd', ['16.8Hz', '7.9Hz'], '1H', 3.62, 3.62), ('dd', ['16.8Hz', '4.9Hz'], '1H', 3.19, 3.19), ('s', [], '3H', 2.42, 2.42)] | 9 | 6 | 9 |
10.1039_c8cc03131b | O(C1Cc2ccc(C)cc2C1=O)C(F)(F)F | 6 | 6 | [0.43412313 0.10253907 0.56226124 0.13925782] | [0.08726648 0.14296876 0.90690863 0.22246095] | 13C NMR | 126 MHz | CDCl3 | 197.5, 146.9, 138.7, 137.7, 133.7, 126.3, 124.7, 121.9 (q, J = 256.7 Hz), 76.8 (m), 33.4, 21.1 | null | [(197.5, None, None), (146.9, None, None), (138.7, None, None), (137.7, None, None), (133.7, None, None), (126.3, None, None), (124.7, None, None), (121.9, 'q', 256.7), (76.8, None, None), (33.4, None, None), (21.1, None, None)] | 11 | 11 | 11 |
10.1039_c8cc03131b | O(c1ccc2c(c1)C(=O)C(OC(F)(F)F)C2)C | 6 | 6 | [0.42970459 0.25156252 0.56667981 0.28828126] | [0.08726648 0.29218751 0.90801331 0.37226563] | 1H NMR | 500 MHz | CDCl3 | 7.36 (d, J = 8.5 Hz, 1H), 7.29-7.24 (m, 1H), 7.23 (d, J = 2.8 Hz, 1H), 4.93 (dd, J = 7.8, 4.7 Hz, 1H), 3.85 (s, 3H), 3.60 (dd, J = 16.6, 7.8 Hz, 1H), 3.17 (dd, J = 16.6, 4.7 Hz, 1H) | null | [('d', ['8.5Hz'], '1H', 7.36, 7.36), ('m', [], '1H', 7.29, 7.24), ('d', ['2.8Hz'], '1H', 7.23, 7.23), ('dd', ['7.8Hz', '4.7Hz'], '1H', 4.93, 4.93), ('s', [], '3H', 3.85, 3.85), ('dd', ['16.6Hz', '7.8Hz'], '1H', 3.6, 3.6), ('dd', ['16.6Hz', '4.7Hz'], '1H', 3.17, 3.17)] | 9 | 6 | 9 |
10.1039_c8cc03131b | O(c1ccc2c(c1)C(=O)C(OC(F)(F)F)C2)C | 6 | 6 | [0.42970459 0.25156252 0.56667981 0.28828126] | [0.08726648 0.29218751 0.90801331 0.37226563] | 13C NMR | 126 MHz | CDCl3 | 197.5, 160.1, 142.3, 134.7, 127.4, 125.8, 121.9 (q, J = 256.7 Hz), 105.7, 77.0 (m), 55.7, 33.1 | null | [(197.5, None, None), (160.1, None, None), (142.3, None, None), (134.7, None, None), (127.4, None, None), (125.8, None, None), (121.9, 'q', 256.7), (105.7, None, None), (77.0, None, None), (55.7, None, None), (33.1, None, None)] | 11 | 11 | 11 |
10.1039_c8cc03131b | O(C1Cc2cc(C)ccc2C1=O)C(F)(F)F | 6 | 6 | [0.43412313 0.40937501 0.56226124 0.45156251] | [0.08726648 0.46328126 0.90801331 0.54296879] | 1H NMR | 300 MHz | CDCl3 | 7.71 (d, J = 8.2 Hz, 1H), 7.27-7.20 (m, 2H), 4.91 (dd, J = 7.9, 5.0 Hz, 1H), 3.61 (dd, J = 17.0, 7.9 Hz, 1H), 3.20 (dd, J = 17.0, 4.7 Hz, 1H), 2.47 (s, 3H) | null | [('d', ['8.2Hz'], '1H', 7.71, 7.71), ('m', [], '2H', 7.27, 7.2), ('dd', ['7.9Hz', '5.0Hz'], '1H', 4.91, 4.91), ('dd', ['17.0Hz', '7.9Hz'], '1H', 3.61, 3.61), ('dd', ['17.0Hz', '4.7Hz'], '1H', 3.2, 3.2), ('s', [], '3H', 2.47, 2.47)] | 9 | 6 | 9 |
10.1039_c8cc03131b | O=C1c2ccc(Cl)cc2CC1OC(F)(F)F | 6 | 6 | [0.43633239 0.58046876 0.56005198 0.62265631] | [0.08726648 0.63437506 0.90801331 0.71406254] | 1H NMR | 500 MHz | CDCl3 | 7.75 (dd, J = 8.2, 0.6 Hz, 1H), 7.48 (d, J = 0.6 Hz, 1H), 7.46-7.39 (m, 1H), 4.93 (dd, J = 7.9, 4.9 Hz, 1H), 3.66 (dd, J = 17.4, 7.9 Hz, 1H), 3.24 (dd, J = 17.2, 4.7 Hz, 1H) | null | [('dd', ['8.2Hz', '0.6Hz'], '1H', 7.75, 7.75), ('d', ['0.6Hz'], '1H', 7.48, 7.48), ('m', [], '1H', 7.46, 7.39), ('dd', ['7.9Hz', '4.9Hz'], '1H', 4.93, 4.93), ('dd', ['17.4Hz', '7.9Hz'], '1H', 3.66, 3.66), ('dd', ['17.2Hz', '4.7Hz'], '1H', 3.24, 3.24)] | 6 | 5 | 6 |
10.1039_c8cc03131b | O=C1c2ccc(Cl)cc2CC1OC(F)(F)F | 6 | 6 | [0.43633239 0.58046876 0.56005198 0.62265631] | [0.08726648 0.63437506 0.90801331 0.71406254] | 13C NMR | 126 MHz | CDCl3 | 196.0, 150.9, 143.0, 132.0, 129.4, 126.8, 126.0, 121.8 (q, J = 257.0 Hz), 76.2 (q, J = 2.4 Hz), 33.4 | null | [(196.0, None, None), (150.9, None, None), (143.0, None, None), (132.0, None, None), (129.4, None, None), (126.8, None, None), (126.0, None, None), (121.8, 'q', 257.0), (76.2, 'q', 2.4), (33.4, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O(C1Cc2cc(Br)ccc2C1=O)C(F)(F)F | 6 | 6 | [0.43633239 0.7527344 0.56005198 0.79335939] | [0.08726648 0.80546878 0.91132714 0.87265631] | 1H NMR | 300 MHz | CDCl3 | 7.79-7.50 (m, 3H), 4.95-4.91 (m, 1H), 3.67 (dd, J = 17.2, 8.1 Hz, 1H), 3.25 (dd, J = 17.3, 4.7 Hz, 1H) | null | [('m', [], '3H', 7.79, 7.5), ('m', [], '1H', 4.95, 4.91), ('dd', ['17.2Hz', '8.1Hz'], '1H', 3.67, 3.67), ('dd', ['17.3Hz', '4.7Hz'], '1H', 3.25, 3.25)] | 6 | 5 | 6 |
10.1039_c8cc03131b | O(C1Cc2cc(Br)ccc2C1=O)C(F)(F)F | 6 | 6 | [0.43633239 0.7527344 0.56005198 0.79335939] | [0.08726648 0.80546878 0.91132714 0.87265631] | 13C NMR | 126 MHz | CDCl3 | 196.2, 151.0, 132.4, 132.3, 131.9, 129.9, 126.0, 121.8 (q, J = 257.0 Hz), 76.1 (q, J = 2.4 Hz), 33.3 | null | [(196.2, None, None), (151.0, None, None), (132.4, None, None), (132.3, None, None), (131.9, None, None), (129.9, None, None), (126.0, None, None), (121.8, 'q', 257.0), (76.1, 'q', 2.4), (33.3, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O=C1c2cc(Br)ccc2CC1OC(F)(F)F | 7 | 7 | [0.43633239 0.08803711 0.56005198 0.12519532] | [0.0878188 0.12929688 0.90856554 0.20937501] | 1H NMR | 300 MHz | CDCl3 | 7.95 (d, J = 2.1 Hz, 1H), 7.79 (dd, J = 8.2, 1.8 Hz, 1H), 7.37 (d, J = 8.5 Hz, 1H), 4.95 (dd, J = 7.9, 5.0 Hz, 1H), 3.64 (dd, J = 17.3, 7.9 Hz, 1H), 3.20 (dd, J = 17.2, 4.8 Hz, 1H) | null | [('d', ['2.1Hz'], '1H', 7.95, 7.95), ('dd', ['8.2Hz', '1.8Hz'], '1H', 7.79, 7.79), ('d', ['8.5Hz'], '1H', 7.37, 7.37), ('dd', ['7.9Hz', '5.0Hz'], '1H', 4.95, 4.95), ('dd', ['17.3Hz', '7.9Hz'], '1H', 3.64, 3.64), ('dd', ['17.2Hz', '4.8Hz'], '1H', 3.2, 3.2)] | 6 | 5 | 6 |
10.1039_c8cc03131b | O=C1c2cc(Br)ccc2CC1OC(F)(F)F | 7 | 7 | [0.43633239 0.08803711 0.56005198 0.12519532] | [0.0878188 0.12929688 0.90856554 0.20937501] | 13C NMR | 126 MHz | CDCl3 | 196.1, 148.0, 139.2, 135.3, 128.2, 127.7, 122.7, 121.8 (q, J = 257.0 Hz), 76.4 (m), 33.4 | null | [(196.1, None, None), (148.0, None, None), (139.2, None, None), (135.3, None, None), (128.2, None, None), (127.7, None, None), (122.7, None, None), (121.8, 'q', 257.0), (76.4, None, None), (33.4, None, None)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O=C1c2ccc(F)cc2CC1OC(F)(F)F | 7 | 7 | [0.4385417 0.24687501 0.55784273 0.28828126] | [0.08726648 0.30000001 0.90801331 0.39218752] | 1H NMR | 300 MHz | CDCl3 | 7.84 (dd, J = 9.1, 5.3 Hz, 1H), 7.23-7.05 (m, 2H), 4.94 (dd, J = 7.9, 5.0 Hz, 1H), 3.67 (dd, J = 17.2, 7.8 Hz, 1H), 3.26 (dd, J = 17.0, 4.7 Hz, 1H) | null | [('dd', ['9.1Hz', '5.3Hz'], '1H', 7.84, 7.84), ('m', [], '2H', 7.23, 7.05), ('dd', ['7.9Hz', '5.0Hz'], '1H', 4.94, 4.94), ('dd', ['17.2Hz', '7.8Hz'], '1H', 3.67, 3.67), ('dd', ['17.0Hz', '4.7Hz'], '1H', 3.26, 3.26)] | 6 | 5 | 6 |
10.1039_c8cc03131b | O=C1c2ccc(F)cc2CC1OC(F)(F)F | 7 | 7 | [0.4385417 0.24687501 0.55784273 0.28828126] | [0.08726648 0.30000001 0.90801331 0.39218752] | 13C NMR | 176 MHz | CDCl3 | 195.5, 168.0 (d, J = 259.3 Hz), 152.5 (d, J = 10.9 Hz), 130.1, 127.4 (d, J = 10.9 Hz), 121.9 (q, J = 256.4 Hz), 117.0 (d, J = 23.4 Hz), 113.5 (d, J = 23.4 Hz), 76.2 (q, J = 2.3 Hz), 33.7 (d, J = 2.5 Hz) | null | [(195.5, None, None), (168.0, 'd', 259.3), (152.5, 'd', 10.9), (130.1, None, None), (127.4, 'd', 10.9), (121.9, 'q', 256.4), (117.0, 'd', 23.4), (113.5, 'd', 23.4), (76.2, 'q', 2.3), (33.7, 'd', 2.5)] | 10 | 10 | 10 |
10.1039_c8cc03131b | O=C1c2ccccc2CCC1OC(F)(F)F | 7 | 7 | [0.44793112 0.43203126 0.54900559 0.47265629] | [0.08837112 0.48515628 0.90856554 0.56484376] | 1H NMR | 500 MHz | CDCl3 | 8.06 (dd, J = 7.9, 1.2 Hz, 1H), 7.54 (td, J = 7.5, 1.5 Hz, 1H), 7.40-7.32 (m, 1H), 7.28 (d, J = 7.9 Hz, 1H), 4.85 (dd, J = 12.2, 4.9 Hz, 1H), 3.16 (dd, J = 8.1, 4.4 Hz, 2H), 2.54 (dq, J = 12.9, 4.5 Hz, 1H), 2.39 (tt, J = 12.6, 8.2 Hz, 1H) | null | [('dd', ['7.9Hz', '1.2Hz'], '1H', 8.06, 8.06), ('td', ['7.5Hz', '1.5Hz'], '1H', 7.54, 7.54), ('m', [], '1H', 7.4, 7.32), ('d', ['7.9Hz'], '1H', 7.28, 7.28), ('dd', ['12.2Hz', '4.9Hz'], '1H', 4.85, 4.85), ('dd', ['8.1Hz', '4.4Hz'], '2H', 3.16, 3.16), ('dq', ['12.9Hz', '4.5Hz'], '1H', 2.54, 2.54), ('tt', ['12.6Hz', '8.2H... | 9 | 7 | 9 |
10.1039_c8cc03131b | O=C1c2ccccc2CCC1OC(F)(F)F | 7 | 7 | [0.44793112 0.43203126 0.54900559 0.47265629] | [0.08837112 0.48515628 0.90856554 0.56484376] | 13C NMR | 126 MHz | CDCl3 | 190.8, 142.7, 134.3, 131.1, 128.6, 128.1, 127.2, 121.7 (q, J = 256.6 Hz), 77.8 (m), 30.0, 27.1 | null | [(190.8, None, None), (142.7, None, None), (134.3, None, None), (131.1, None, None), (128.6, None, None), (128.1, None, None), (127.2, None, None), (121.7, 'q', 256.6), (77.8, None, None), (30.0, None, None), (27.1, None, None)] | 11 | 11 | 11 |
10.1039_c8cc03131b | O(c1ccc2c(c1)CCC(OC(F)(F)F)C2=O)C | 7 | 7 | [0.43080919 0.60078129 0.56612752 0.64453125] | [0.08671416 0.65625 0.90690863 0.73593756] | 1H NMR | 300 MHz | CDCl3 | 8.03 (d, J = 9.1 Hz, 1H), 6.87 (dd, J = 8.8, 2.4 Hz, 1H), 6.78-6.62 (m, 1H), 4.79 (dd, J = 11.7, 5.0 Hz, 1H), 3.87 (s, 3H), 3.10 (dd, J = 7.8, 4.5 Hz, 2H), 2.60-2.25 (m, 2H) | null | [('d', ['9.1Hz'], '1H', 8.03, 8.03), ('dd', ['8.8Hz', '2.4Hz'], '1H', 6.87, 6.87), ('m', [], '1H', 6.78, 6.62), ('dd', ['11.7Hz', '5.0Hz'], '1H', 4.79, 4.79), ('s', [], '3H', 3.87, 3.87), ('dd', ['7.8Hz', '4.5Hz'], '2H', 3.1, 3.1), ('m', [], '2H', 2.6, 2.25)] | 11 | 7 | 11 |
10.1039_c8cc03131b | O(c1ccc2c(c1)CCC(OC(F)(F)F)C2=O)C | 7 | 7 | [0.43080919 0.60078129 0.56612752 0.64453125] | [0.08671416 0.65625 0.90690863 0.73593756] | 13C NMR | 75 MHz | CDCl3 | 189.3, 164.2, 145.3, 130.5, 124.5, 121.7 (q, J = 254.3 Hz), 113.9, 112.3, 77.6 (q, J = 2.0 Hz), 55.5, 30.0, 27.3 | null | [(189.3, None, None), (164.2, None, None), (145.3, None, None), (130.5, None, None), (124.5, None, None), (121.7, 'q', 254.3), (113.9, None, None), (112.3, None, None), (77.6, 'q', 2.0), (55.5, None, None), (30.0, None, None), (27.3, None, None)] | 12 | 12 | 12 |
10.1039_c8cc03131b | O(c1ccc2c(c1)C(=O)C(OC(F)(F)F)CC2)C | 7 | 7 | [0.43025691 0.77265629 0.56723215 0.81484376] | [0.08726648 0.82812507 0.90911788 0.90625007] | 1H NMR | 300 MHz | CDCl3 | 7.51 (d, J = 2.6 Hz, 1H), 7.19 (d, J = 8.5 Hz, 1H), 7.11 (dd, J = 8.5, 2.6 Hz, 1H), 4.83 (dd, J = 12.2, 4.8 Hz, 1H), 3.85 (s, 3H), 3.09 (dd, J = 7.9, 4.4 Hz, 2H), 2.58-2.46 (m, 1H), 2.45-2.29 (m, 1H) | null | [('d', ['2.6Hz'], '1H', 7.51, 7.51), ('d', ['8.5Hz'], '1H', 7.19, 7.19), ('dd', ['8.5Hz', '2.6Hz'], '1H', 7.11, 7.11), ('dd', ['12.2Hz', '4.8Hz'], '1H', 4.83, 4.83), ('s', [], '3H', 3.85, 3.85), ('dd', ['7.9Hz', '4.4Hz'], '2H', 3.09, 3.09), ('m', [], '1H', 2.58, 2.46), ('m', [], '1H', 2.45, 2.29)] | 11 | 7 | 11 |
10.1039_c8cc03131b | O(c1ccc2c(c1)C(=O)C(OC(F)(F)F)CC2)C | 7 | 7 | [0.43025691 0.77265629 0.56723215 0.81484376] | [0.08726648 0.82812507 0.90911788 0.90625007] | 13C NMR | 75 MHz | CDCl3 | 190.7, 158.6, 135.3, 131.9, 129.9, 122.7, 121.7 (q, J = 254.5 Hz), 109.6, 77.9 (q, J = 2.8 Hz), 55.4, 30.3, 26.3 | null | [(190.7, None, None), (158.6, None, None), (135.3, None, None), (131.9, None, None), (129.9, None, None), (122.7, None, None), (121.7, 'q', 254.5), (109.6, None, None), (77.9, 'q', 2.8), (55.4, None, None), (30.3, None, None), (26.3, None, None)] | 12 | 12 | 12 |
10.1039_c8cc03131b | O=C1c2cc(Cl)ccc2CCC1OC(F)(F)F | 8 | 8 | [0.43412313 0.12402345 0.56170895 0.1654297 ] | [0.08671416 0.17792969 0.90801331 0.25722658] | 1H NMR | 500 MHz | CDCl3 | 8.00 (d, J = 2.1 Hz, 1H), 7.49 (dd, J = 8.2, 2.4 Hz, 1H), 7.24 (d, J = 8.2 Hz, 1H), 4.83 (dd, J = 12.1, 4.7 Hz, 1H), 3.18-3.06 (m, 2H), 2.54 (dq, J = 13.2, 4.6 Hz, 1H), 2.39 (tdd, J = 12.6, 9.7, 6.1 Hz, 1H) | null | [('d', ['2.1Hz'], '1H', 8.0, 8.0), ('dd', ['8.2Hz', '2.4Hz'], '1H', 7.49, 7.49), ('d', ['8.2Hz'], '1H', 7.24, 7.24), ('dd', ['12.1Hz', '4.7Hz'], '1H', 4.83, 4.83), ('m', [], '2H', 3.18, 3.06), ('dq', ['13.2Hz', '4.6Hz'], '1H', 2.54, 2.54), ('tdd', ['12.6Hz', '9.7Hz', '6.1Hz'], '1H', 2.39, 2.39)] | 8 | 6 | 8 |
10.1039_c8cc03131b | O=C1c2cc(Cl)ccc2CCC1OC(F)(F)F | 8 | 8 | [0.43412313 0.12402345 0.56170895 0.1654297 ] | [0.08671416 0.17792969 0.90801331 0.25722658] | 13C NMR | 126 MHz | CDCl3 | 189.7, 140.9, 134.2, 133.5, 132.4, 130.2, 127.7, 121.6 (q, J = 257.0 Hz), 77.5 (q, J = 2.1 Hz), 29.8, 26.5 | null | [(189.7, None, None), (140.9, None, None), (134.2, None, None), (133.5, None, None), (132.4, None, None), (130.2, None, None), (127.7, None, None), (121.6, 'q', 257.0), (77.5, 'q', 2.1), (29.8, None, None), (26.5, None, None)] | 11 | 11 | 11 |
10.1039_c8cc03131b | O(C1CCc2ccc(Br)cc2C1=O)C(F)(F)F | 8 | 8 | [0.43357079 0.29492189 0.56170895 0.33671878] | [0.08726648 0.34843753 0.90690863 0.44101565] | 1H NMR | 500 MHz | CDCl3 | 8.16 (d, J = 2.1 Hz, 1H), 7.64 (dd, J = 8.2, 2.1 Hz, 1H), 7.17 (d, J = 8.2 Hz, 1H), 4.83 (dd, J = 12.1, 4.7 Hz, 1H), 3.18-3.01 (m, 2H), 2.53 (dq, J = 13.2, 4.5 Hz, 1H), 2.39 (tdd, J = 12.5, 10.1, 5.8 Hz, 1H) | null | [('d', ['2.1Hz'], '1H', 8.16, 8.16), ('dd', ['8.2Hz', '2.1Hz'], '1H', 7.64, 7.64), ('d', ['8.2Hz'], '1H', 7.17, 7.17), ('dd', ['12.1Hz', '4.7Hz'], '1H', 4.83, 4.83), ('m', [], '2H', 3.18, 3.01), ('dq', ['13.2Hz', '4.5Hz'], '1H', 2.53, 2.53), ('tdd', ['12.5Hz', '10.1Hz', '5.8Hz'], '1H', 2.39, 2.39)] | 8 | 6 | 8 |
10.1039_c8cc03131b | O(C1CCc2ccc(Br)cc2C1=O)C(F)(F)F | 8 | 8 | [0.43357079 0.29492189 0.56170895 0.33671878] | [0.08726648 0.34843753 0.90690863 0.44101565] | 13C NMR | 126 MHz | CDCl3 | 189.6, 141.4, 137.1, 132.6, 130.8, 130.5, 121.6 (q, J = 256.6 Hz), 121.3, 77.4 (q, J = 2.1 Hz), 29.7, 26.6 | null | [(189.6, None, None), (141.4, None, None), (137.1, None, None), (132.6, None, None), (130.8, None, None), (130.5, None, None), (121.6, 'q', 256.6), (121.3, None, None), (77.4, 'q', 2.1), (29.7, None, None), (26.6, None, None)] | 11 | 11 | 11 |
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