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_d3gc02345a | [C-]#[N+]c1ccc(CCC(=O)N(CC)c2ccccc2)cc1 | 3 | 3 | [0.15188787 0.09492188 0.35403681 0.15449219] | [0.14967859 0.18671876 0.45455894 0.20078125] | 1H NMR | 300 MHz | CDCl3 | 7.61-7.43 (m, 2H), 7.43-7.32 (m, 3H), 7.17 (d, J = 7.9 Hz, 2H), 7.03-6.89 (m, 2H), 3.71 (q, J = 7.1 Hz, 2H), 2.94 (t, J = 7.5 Hz, 2H), 2.30 (t, J = 7.5 Hz, 2H), 1.07 (td, J = 7.2, 0.7 Hz, 3H) | null | [('m', [], '2H', 7.61, 7.43), ('m', [], '3H', 7.43, 7.32), ('d', ['7.9Hz'], '2H', 7.17, 7.17), ('m', [], '2H', 7.03, 6.89), ('q', ['7.1Hz'], '2H', 3.71, 3.71), ('t', ['7.5Hz'], '2H', 2.94, 2.94), ('t', ['7.5Hz'], '2H', 2.3, 2.3), ('td', ['7.2Hz', '0.7Hz'], '3H', 1.07, 1.07)] | 18 | 9 | 18 |
10.1039_d3gc02345a | [C-]#[N+]c1ccc(CCC(=O)N(CC)c2ccccc2)cc1 | 3 | 3 | [0.15188787 0.09492188 0.35403681 0.15449219] | [0.14967859 0.18671876 0.45455894 0.20078125] | 13C NMR | 75 MHz | CDCl3 | 170.4, 146.8, 141.7, 131.8, 129.5, 129.1, 128.0, 127.8, 118.7, 109.6, 43.8, 35.2, 31.3, 12.8 | null | [(170.4, None, None), (146.8, None, None), (141.7, None, None), (131.8, None, None), (129.5, None, None), (129.1, None, None), (128.0, None, None), (127.8, None, None), (118.7, None, None), (109.6, None, None), (43.8, None, None), (35.2, None, None), (31.3, None, None), (12.8, None, None)] | 18 | 14 | 14 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1ccc2c(c1)CCO2 | 3 | 3 | [0.15133554 0.40703128 0.35182752 0.46484379] | [0.14898819 0.50078128 0.45511128 0.51562504] | 1H NMR | 300 MHz | CDCl3 | 7.51-7.27 (m, 3H), 7.14-6.87 (m, 3H), 6.82-6.71 (m, 1H), 6.64 (d, J = 8.1 Hz, 1H), 4.51 (t, J = 8.7 Hz, 2H), 3.73 (q, J = 7.1 Hz, 2H), 3.13 (t, J = 8.6 Hz, 2H), 2.92-2.63 (m, 2H), 2.26 (dd, J = 8.5, 7.0 Hz, 2H), 1.08 (t, J = 7.2 Hz, 3H) | null | [('m', [], '3H', 7.51, 7.27), ('m', [], '3H', 7.14, 6.87), ('m', [], '1H', 6.82, 6.71), ('d', ['8.1Hz'], '1H', 6.64, 6.64), ('t', ['8.7Hz'], '2H', 4.51, 4.51), ('q', ['7.1Hz'], '2H', 3.73, 3.73), ('t', ['8.6Hz'], '2H', 3.13, 3.13), ('m', [], '2H', 2.92, 2.63), ('dd', ['8.5Hz', '7.0Hz'], '2H', 2.26, 2.26), ('t', ['7.2Hz... | 21 | 12 | 21 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1ccc2c(c1)CCO2 | 3 | 3 | [0.15133554 0.40703128 0.35182752 0.46484379] | [0.14898819 0.50078128 0.45511128 0.51562504] | 13C NMR | 75 MHz | CDCl3 | 171.5, 158.1, 142.1, 133.0, 129.3, 128.2, 127.6, 127.5, 126.7, 124.9, 108.6, 70.9, 43.8, 36.6, 31.0, 29.5, 12.8 | null | [(171.5, None, None), (158.1, None, None), (142.1, None, None), (133.0, None, None), (129.3, None, None), (128.2, None, None), (127.6, None, None), (127.5, None, None), (126.7, None, None), (124.9, None, None), (108.6, None, None), (70.9, None, None), (43.8, None, None), (36.6, None, None), (31.0, None, None), (29.5, N... | 19 | 17 | 17 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 | 3 | 3 | [0.15133554 0.74921879 0.35293218 0.80937503] | [0.1495405 0.84375007 0.45455894 0.85937507] | 1H NMR | 300 MHz | CDCl3 | 7.56-7.25 (m, 3H), 7.10-6.89 (m, 2H), 6.79-6.60 (m, 1H), 6.56-6.35 (m, 2H), 5.89 (s, 2H), 3.73 (q, J = 7.2 Hz, 2H), 2.98-2.76 (m, 2H), 2.25 (dd, J = 8.6, 7.0 Hz, 2H), 1.09 (t, J = 7.1 Hz, 3H) | null | [('m', [], '3H', 7.56, 7.25), ('m', [], '2H', 7.1, 6.89), ('m', [], '1H', 6.79, 6.6), ('m', [], '2H', 6.56, 6.35), ('s', [], '2H', 5.89, 5.89), ('q', ['7.2Hz'], '2H', 3.73, 3.73), ('m', [], '2H', 2.98, 2.76), ('dd', ['8.6Hz', '7.0Hz'], '2H', 2.25, 2.25), ('t', ['7.1Hz'], '3H', 1.09, 1.09)] | 19 | 11 | 19 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1ccc2c(c1)OCO2 | 3 | 3 | [0.15133554 0.74921879 0.35293218 0.80937503] | [0.1495405 0.84375007 0.45455894 0.85937507] | 13C NMR | 75 MHz | CDCl3 | 171.3, 147.2, 145.4, 142.0, 134.9, 129.4, 128.2, 127.7, 121.0, 108.7, 107.8, 100.5, 43.8, 36.3, 31.2, 12.8 | null | [(171.3, None, None), (147.2, None, None), (145.4, None, None), (142.0, None, None), (134.9, None, None), (129.4, None, None), (128.2, None, None), (127.7, None, None), (121.0, None, None), (108.7, None, None), (107.8, None, None), (100.5, None, None), (43.8, None, None), (36.3, None, None), (31.2, None, None), (12.8, ... | 18 | 16 | 16 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1ccco1 | 4 | 4 | [0.15105939 0.28671877 0.29355781 0.34843753] | [0.14967859 0.38105469 0.42915225 0.39550785] | 1H NMR | 300 MHz | CDCl3 | 7.51-7.28 (m, 3H), 7.28-7.21 (m, 1H), 7.10-6.98 (m, 2H), 6.22 (dd, J = 3.2, 1.9 Hz, 1H), 6.00-5.79 (m, 1H), 3.74 (q, J = 7.1 Hz, 2H), 2.92 (dd, J = 8.7, 6.5 Hz, 2H), 2.32 (dd, J = 8.6, 6.6 Hz, 2H), 1.09 (t, J = 7.2 Hz, 3H) | null | [('m', [], '3H', 7.51, 7.28), ('m', [], '1H', 7.28, 7.21), ('m', [], '2H', 7.1, 6.98), ('dd', ['3.2Hz', '1.9Hz'], '1H', 6.22, 6.22), ('m', [], '1H', 6.0, 5.79), ('q', ['7.1Hz'], '2H', 3.74, 3.74), ('dd', ['8.7Hz', '6.5Hz'], '2H', 2.92, 2.92), ('dd', ['8.6Hz', '6.6Hz'], '2H', 2.32, 2.32), ('t', ['7.2Hz'], '3H', 1.09, 1.... | 17 | 10 | 17 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1ccco1 | 4 | 4 | [0.15105939 0.28671877 0.29355781 0.34843753] | [0.14967859 0.38105469 0.42915225 0.39550785] | 13C NMR | 75 MHz | CDCl3 | 171.0, 154.8, 142.1, 140.7, 129.6, 128.3, 127.8, 110.0, 105.1, 44.0, 32.9, 23.8, 13.0 | null | [(171.0, None, None), (154.8, None, None), (142.1, None, None), (140.7, None, None), (129.6, None, None), (128.3, None, None), (127.8, None, None), (110.0, None, None), (105.1, None, None), (44.0, None, None), (32.9, None, None), (23.8, None, None), (13.0, None, None)] | 15 | 13 | 13 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1cccs1 | 4 | 4 | [0.15078323 0.59804689 0.29411015 0.66445314] | [0.1495405 0.69609378 0.45455894 0.71015629] | 1H NMR | 300 MHz | CDCl3 | 7.48-7.28 (m, 3H), 7.19-6.92 (m, 3H), 6.84 (dd, J = 5.1, 3.4 Hz, 1H), 6.68 (dt, J = 3.5, 1.0 Hz, 1H), 3.73 (q, J = 7.1 Hz, 2H), 3.22-3.01 (m, 2H), 2.33 (dd, J = 8.2, 6.8 Hz, 2H), 1.08 (t, J = 7.1 Hz, 3H) | null | [('m', [], '3H', 7.48, 7.28), ('m', [], '3H', 7.19, 6.92), ('dd', ['5.1Hz', '3.4Hz'], '1H', 6.84, 6.84), ('dt', ['3.5Hz', '1.0Hz'], '1H', 6.68, 6.68), ('q', ['7.1Hz'], '2H', 3.73, 3.73), ('m', [], '2H', 3.22, 3.01), ('dd', ['8.2Hz', '6.8Hz'], '2H', 2.33, 2.33), ('t', ['7.1Hz'], '3H', 1.08, 1.08)] | 17 | 10 | 17 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1cccs1 | 4 | 4 | [0.15078323 0.59804689 0.29411015 0.66445314] | [0.1495405 0.69609378 0.45455894 0.71015629] | 13C NMR | 75 MHz | CDCl3 | 170.8, 143.7, 142.0, 129.5, 128.2, 127.8, 126.5, 124.4, 123.0, 43.9, 36.3, 25.5, 12.9 | null | [(170.8, None, None), (143.7, None, None), (142.0, None, None), (129.5, None, None), (128.2, None, None), (127.8, None, None), (126.5, None, None), (124.4, None, None), (123.0, None, None), (43.9, None, None), (36.3, None, None), (25.5, None, None), (12.9, None, None)] | 15 | 13 | 13 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1cccnc1 | 5 | 5 | [0.15133554 0.09487305 0.31841219 0.15664064] | [0.14967859 0.18671876 0.45400665 0.20078125] | 1H NMR | 300 MHz | CDCl3 | 8.41 (d, J = 5.1 Hz, 2H), 7.50-7.28 (m, 3H), 7.12-6.86 (m, 4H), 3.70 (q, J = 7.2 Hz, 2H), 2.86 (t, J = 7.5 Hz, 2H), 2.28 (t, J = 7.6 Hz, 2H), 1.06 (t, J = 7.1 Hz, 3H) | null | [('d', ['5.1Hz'], '2H', 8.41, 8.41), ('m', [], '3H', 7.5, 7.28), ('m', [], '4H', 7.12, 6.86), ('q', ['7.2Hz'], '2H', 3.7, 3.7), ('t', ['7.5Hz'], '2H', 2.86, 2.86), ('t', ['7.6Hz'], '2H', 2.28, 2.28), ('t', ['7.1Hz'], '3H', 1.06, 1.06)] | 18 | 11 | 18 |
10.1039_d3gc02345a | O=C(CCc1ccccc1)N1CCCCc2ccccc21 | 5 | 5 | [0.1502309 0.40234379 0.33691491 0.47265629] | [0.14857395 0.50078128 0.45511128 0.51562504] | 1H NMR | 300 MHz | CDCl3 | 7.36-6.78 (m, 9H), 4.91-4.48 (m, 1H), 2.89 (td, J = 7.9, 7.4, 1.8 Hz, 2H), 2.74-2.35 (m, 4H), 2.22 (ddd, J = 15.6, 8.6, 7.3 Hz, 1H), 2.08-1.68 (m, 3H), 1.49-1.11 (m, 1H) | null | [('m', [], '9H', 7.36, 6.78), ('m', [], '1H', 4.91, 4.48), ('td', ['7.9Hz', '7.4Hz', '1.8Hz'], '2H', 2.89, 2.89), ('m', [], '4H', 2.74, 2.35), ('ddd', ['15.6Hz', '8.6Hz', '7.3Hz'], '1H', 2.22, 2.22), ('m', [], '3H', 2.08, 1.68), ('m', [], '1H', 1.49, 1.11)] | 21 | 13 | 21 |
10.1039_d3gc02345a | O=C(CCc1ccccc1)N1CCCCc2ccccc21 | 5 | 5 | [0.1502309 0.40234379 0.33691491 0.47265629] | [0.14857395 0.50078128 0.45511128 0.51562504] | 13C NMR | 75 MHz | CDCl3 | 170.9, 142.9, 141.2, 140.5, 129.9, 128.3, 128.1, 127.7, 127.4, 127.0, 125.8, 47.0, 35.9, 34.1, 31.4, 28.9, 26.3 | null | [(170.9, None, None), (142.9, None, None), (141.2, None, None), (140.5, None, None), (129.9, None, None), (128.3, None, None), (128.1, None, None), (127.7, None, None), (127.4, None, None), (127.0, None, None), (125.8, None, None), (47.0, None, None), (35.9, None, None), (34.1, None, None), (31.4, None, None), (28.9, N... | 19 | 17 | 17 |
10.1039_d3gc02345a | N(CC)(CC)C(CCC1C=CC=CC=1)=O | 5 | 5 | [0.15050707 0.74687503 0.30929893 0.80000004] | [0.14967859 0.82578131 0.45511128 0.83984382] | 1H NMR | 300 MHz | CDCl3 | 7.39-7.12 (m, 5H), 3.39 (q, J = 7.1 Hz, 2H), 3.23 (q, J = 7.2 Hz, 2H), 3.08-2.88 (m, 2H), 2.75-2.47 (m, 2H), 1.11 (td, J = 7.1, 2.7 Hz, 6H) | null | [('m', [], '5H', 7.39, 7.12), ('q', ['7.1Hz'], '2H', 3.39, 3.39), ('q', ['7.2Hz'], '2H', 3.23, 3.23), ('m', [], '2H', 3.08, 2.88), ('m', [], '2H', 2.75, 2.47), ('td', ['7.1Hz', '2.7Hz'], '6H', 1.11, 1.11)] | 19 | 7 | 19 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCCc1ccccc1 | 6 | 6 | [0.15050707 0.20625001 0.32835395 0.26093751] | [0.14912627 0.29765626 0.45455894 0.31171876] | 1H NMR | 300 MHz | CDCl3 | 7.51-7.32 (m, 3H), 7.28-6.97 (m, 7H), 3.75 (q, J = 7.1 Hz, 2H), 2.97-2.42 (m, 2H), 2.25-1.99 (m, 2H), 1.93-1.77 (m, 2H), 1.10 (t, J = 7.2 Hz, 3H) | null | [('m', [], '3H', 7.51, 7.32), ('m', [], '7H', 7.28, 6.97), ('q', ['7.1Hz'], '2H', 3.75, 3.75), ('m', [], '2H', 2.97, 2.42), ('m', [], '2H', 2.25, 1.99), ('m', [], '2H', 1.93, 1.77), ('t', ['7.2Hz'], '3H', 1.1, 1.1)] | 21 | 11 | 21 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCCc1ccccc1 | 6 | 6 | [0.15050707 0.20625001 0.32835395 0.26093751] | [0.14912627 0.29765626 0.45455894 0.31171876] | 13C NMR | 75 MHz | CDCl3 | 172.1, 142.3, 141.7, 129.5, 128.3, 128.1, 127.7, 125.6, 43.9, 35.1, 33.8, 26.9, 13.0 | null | [(172.1, None, None), (142.3, None, None), (141.7, None, None), (129.5, None, None), (128.3, None, None), (128.1, None, None), (127.7, None, None), (125.6, None, None), (43.9, None, None), (35.1, None, None), (33.8, None, None), (26.9, None, None), (13.0, None, None)] | 18 | 14 | 13 |
10.1039_d3gc02345a | CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1 | 6 | 6 | [0.15105939 0.51757816 0.33663874 0.57929692] | [0.14912627 0.61289068 0.45455894 0.62695312] | 1H NMR | 300 MHz | CDCl3 | 7.47-7.31 (m, 3H), 7.14-7.00 (m, 2H), 6.72 (d, J = 8.2 Hz, 1H), 6.60 (d, J = 2.0 Hz, 1H), 6.52 (dd, J = 8.2, 2.0 Hz, 1H), 3.84 (s, 3H), 3.81 (s, 3H), 3.75 (q, J = 7.1 Hz, 2H), 3.35 (s, 2H), 1.10 (t, J = 7.1 Hz, 3H) | null | [('m', [], '3H', 7.47, 7.31), ('m', [], '2H', 7.14, 7.0), ('d', ['8.2Hz'], '1H', 6.72, 6.72), ('d', ['2.0Hz'], '1H', 6.6, 6.6), ('dd', ['8.2Hz', '2.0Hz'], '1H', 6.52, 6.52), ('s', [], '3H', 3.84, 3.84), ('s', [], '3H', 3.81, 3.81), ('q', ['7.1Hz'], '2H', 3.75, 3.75), ('s', [], '2H', 3.35, 3.35), ('t', ['7.1Hz'], '3H', ... | 21 | 11 | 21 |
10.1039_d3gc02345a | CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1ccccc1 | 6 | 6 | [0.15105939 0.51757816 0.33663874 0.57929692] | [0.14912627 0.61289068 0.45455894 0.62695312] | 13C NMR | 75 MHz | CDCl3 | 170.5, 148.5, 147.5, 142.1, 129.4, 128.7, 127.9, 120.9, 112.1, 110.8, 55.7, 55.6, 44.2, 40.8, 12.9 | null | [(170.5, None, None), (148.5, None, None), (147.5, None, None), (142.1, None, None), (129.4, None, None), (128.7, None, None), (127.9, None, None), (120.9, None, None), (112.1, None, None), (110.8, None, None), (55.7, None, None), (55.6, None, None), (44.2, None, None), (40.8, None, None), (12.9, None, None)] | 18 | 16 | 15 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)Cc1ccc(F)cc1 | 7 | 7 | [0.15133554 0.09218751 0.31841219 0.15195314] | [0.14940243 0.18671876 0.45428277 0.20078125] | 1H NMR | 300 MHz | CDCl3 | 7.45-7.32 (m, 3H), 7.14-6.78 (m, 6H), 3.75 (q, J = 7.2 Hz, 2H), 3.36 (s, 2H), 1.10 (t, J = 7.2 Hz, 3H) | null | [('m', [], '3H', 7.45, 7.32), ('m', [], '6H', 7.14, 6.78), ('q', ['7.2Hz'], '2H', 3.75, 3.75), ('s', [], '2H', 3.36, 3.36), ('t', ['7.2Hz'], '3H', 1.1, 1.1)] | 16 | 8 | 16 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)Cc1ccc(F)cc1 | 7 | 7 | [0.15133554 0.09218751 0.31841219 0.15195314] | [0.14940243 0.18671876 0.45428277 0.20078125] | 13C NMR | 75 MHz | CDCl3 | 170.1, 163.2, 160.0, 142.0, 131.2, 131.1, 130.5, 130.4, 129.5, 128.6, 128.0, 115.1, 114.8, 44.2, 40.4, 12.9 | null | [(170.1, None, None), (163.2, None, None), (160.0, None, None), (142.0, None, None), (131.2, None, None), (131.1, None, None), (130.5, None, None), (130.4, None, None), (129.5, None, None), (128.6, None, None), (128.0, None, None), (115.1, None, None), (114.8, None, None), (44.2, None, None), (40.4, None, None), (12.9,... | 16 | 12 | 16 |
10.1039_d3gc02345a | CCN(CC)C(=O)Cc1ccc(C)cc1 | 7 | 7 | [0.15105939 0.40390627 0.32669698 0.44843751] | [0.14967859 0.48242191 0.45455894 0.49726567] | 1H NMR | 300 MHz | CDCl3 | 7.23-6.97 (m, 4H), 3.65 (s, 2H), 3.33 (dq, J = 29.0, 7.1 Hz, 4H), 2.32 (s, 3H), 1.10 (dt, J = 9.2, 7.1 Hz, 6H) | null | [('m', [], '4H', 7.23, 6.97), ('s', [], '2H', 3.65, 3.65), ('dq', ['29.0Hz', '7.1Hz'], '4H', 3.33, 3.33), ('s', [], '3H', 2.32, 2.32), ('dt', ['9.2Hz', '7.1Hz'], '6H', 1.1, 1.1)] | 19 | 6 | 19 |
10.1039_d3gc02345a | Cc1ccc(CC(=O)N2CCCC2)cc1 | 7 | 7 | [0.15133554 0.61953126 0.33581025 0.68203126] | [0.14912627 0.71406254 0.45511128 0.72890626] | 1H NMR | 300 MHz | CDCl3 | 7.21-7.02 (m, 4H), 3.61 (s, 2H), 3.45 (dt, J = 20.5, 6.8 Hz, 4H), 2.32 (s, 3H), 1.99-1.74 (m, 4H) | null | [('m', [], '4H', 7.21, 7.02), ('s', [], '2H', 3.61, 3.61), ('dt', ['20.5Hz', '6.8Hz'], '4H', 3.45, 3.45), ('s', [], '3H', 2.32, 2.32), ('m', [], '4H', 1.99, 1.74)] | 17 | 6 | 17 |
10.1039_d3gc02345a | CC(C)N(C(=O)Cc1ccccc1)C(C)C | 8 | 8 | [0.15105939 0.08696289 0.3032234 0.14980469] | [0.14912627 0.18671876 0.45400665 0.20078125] | 1H NMR | 300 MHz | CDCl3 | 7.49-7.03 (m, 5H), 3.93 (p, J = 6.7 Hz, 1H), 3.66 (s, 2H), 3.34 (s, 1H), 1.39 (d, J = 6.8 Hz, 6H), 0.98 (d, J = 6.7 Hz, 6H) | null | [('m', [], '5H', 7.49, 7.03), ('p', ['6.7Hz'], '1H', 3.93, 3.93), ('s', [], '2H', 3.66, 3.66), ('s', [], '1H', 3.34, 3.34), ('d', ['6.8Hz'], '6H', 1.39, 1.39), ('d', ['6.7Hz'], '6H', 0.98, 0.98)] | 21 | 6 | 21 |
10.1039_d3gc02345a | N(CC)(CC)C(CC1C2C(=CC=CC=2)C=CC=1)=O | 8 | 8 | [0.1502309 0.29335939 0.28306376 0.37382815] | [0.14843587 0.40820316 0.41810586 0.42304688] | 1H NMR | 300 MHz | CDCl3 | 8.00-7.91 (m, 1H), 7.84 (dd, J = 7.3, 2.0 Hz, 1H), 7.75 (d, J = 8.1 Hz, 1H), 7.60-7.28 (m, 4H), 4.11 (s, 2H), 3.44 (q, J = 7.1 Hz, 2H), 3.30 (q, J = 7.1 Hz, 2H), 1.13 (dt, J = 20.0, 7.1 Hz, 6H) | null | [('m', [], '1H', 8.0, 7.91), ('dd', ['7.3Hz', '2.0Hz'], '1H', 7.84, 7.84), ('d', ['8.1Hz'], '1H', 7.75, 7.75), ('m', [], '4H', 7.6, 7.28), ('s', [], '2H', 4.11, 4.11), ('q', ['7.1Hz'], '2H', 3.44, 3.44), ('q', ['7.1Hz'], '2H', 3.3, 3.3), ('dt', ['20.0Hz', '7.1Hz'], '6H', 1.13, 1.13)] | 19 | 10 | 19 |
10.1039_d3gc02345a | N(CC)(CC)C(CC1C2C(=CC=CC=2)C=CC=1)=O | 8 | 8 | [0.1502309 0.29335939 0.28306376 0.37382815] | [0.14843587 0.40820316 0.41810586 0.42304688] | 13C NMR | 75 MHz | CDCl3 | 170.0, 133.6, 131.9, 131.7, 128.6, 127.4, 126.1, 126.0, 125.5, 125.4, 123.3, 42.3, 40.1, 38.2, 14.1, 12.8 | null | [(170.0, None, None), (133.6, None, None), (131.9, None, None), (131.7, None, None), (128.6, None, None), (127.4, None, None), (126.1, None, None), (126.0, None, None), (125.5, None, None), (125.4, None, None), (123.3, None, None), (42.3, None, None), (40.1, None, None), (38.2, None, None), (14.1, None, None), (12.8, N... | 16 | 14 | 16 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | 8 | 8 | [0.15078323 0.6328125 0.37889118 0.72968754] | [0.14912627 0.7605469 0.44461718 0.7753907 ] | 1H NMR | 300 MHz | CDCl3 | 7.73-7.50 (m, 4H), 7.47-7.30 (m, 9H), 7.19 (ddt, J = 7.5, 1.4, 0.8 Hz, 2H), 3.78 (q, J = 7.1 Hz, 2H), 3.16 (dd, J = 8.4, 6.7 Hz, 2H), 2.57 (dd, J = 8.4, 6.7 Hz, 2H), 1.12 (t, J = 7.2 Hz, 3H) | null | [('m', [], '4H', 7.73, 7.5), ('m', [], '9H', 7.47, 7.3), ('ddt', ['7.5Hz', '1.4Hz', '0.8Hz'], '2H', 7.19, 7.19), ('q', ['7.1Hz'], '2H', 3.78, 3.78), ('dd', ['8.4Hz', '6.7Hz'], '2H', 3.16, 3.16), ('dd', ['8.4Hz', '6.7Hz'], '2H', 2.57, 2.57), ('t', ['7.2Hz'], '3H', 1.12, 1.12)] | 24 | 13 | 24 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 | 8 | 8 | [0.15078323 0.6328125 0.37889118 0.72968754] | [0.14912627 0.7605469 0.44461718 0.7753907 ] | 13C NMR | 75 MHz | CDCl3 | 170.1, 162.3, 144.9, 141.7, 134.7, 132.3, 129.5, 128.8, 128.3, 128.2, 128.0, 127.7, 127.6, 127.6, 126.1, 43.9, 31.2, 23.7, 12.8 | null | [(170.1, None, None), (162.3, None, None), (144.9, None, None), (141.7, None, None), (134.7, None, None), (132.3, None, None), (129.5, None, None), (128.8, None, None), (128.3, None, None), (128.2, None, None), (128.0, None, None), (127.7, None, None), (127.6, None, None), (127.6, None, None), (126.1, None, None), (43.... | 26 | 20 | 19 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 | 9 | 9 | [0.15133554 0.20039063 0.3965654 0.28476565] | [0.14912627 0.29765626 0.5799355 0.31171876] | 1H NMR | 300 MHz | CDCl3 | 8.12-7.92 (m, 2H), 7.75-7.54 (m, 4H), 7.54-7.35 (m, 6H), 7.35-7.18 (m, 2H), 3.78 (q, J = 7.2 Hz, 2H), 3.31 (t, J = 6.5 Hz, 2H), 2.47 (t, J = 6.5 Hz, 2H), 1.12 (t, J = 7.1 Hz, 3H) | null | [('m', [], '2H', 8.12, 7.92), ('m', [], '4H', 7.75, 7.54), ('m', [], '6H', 7.54, 7.35), ('m', [], '2H', 7.35, 7.18), ('q', ['7.2Hz'], '2H', 3.78, 3.78), ('t', ['6.5Hz'], '2H', 3.31, 3.31), ('t', ['6.5Hz'], '2H', 2.47, 2.47), ('t', ['7.1Hz'], '3H', 1.12, 1.12)] | 23 | 12 | 23 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 | 9 | 9 | [0.15133554 0.20039063 0.3965654 0.28476565] | [0.14912627 0.29765626 0.5799355 0.31171876] | 13C NMR | 75 MHz | CDCl3 | 198.4, 171.1, 145.3, 142.2, 139.7, 135.3, 129.5, 128.2, 128.4, 128.4, 127.7, 127.8, 127.0, 126.9, 43.9, 33.5, 28.5, 12.9 | null | [(198.4, None, None), (171.1, None, None), (145.3, None, None), (142.2, None, None), (139.7, None, None), (135.3, None, None), (129.5, None, None), (128.2, None, None), (128.4, None, None), (128.4, None, None), (127.7, None, None), (127.8, None, None), (127.0, None, None), (126.9, None, None), (43.9, None, None), (33.5... | 24 | 18 | 18 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)Cc1ccc(-c2ccccc2)cc1 | 9 | 9 | [0.1509213 0.5152344 0.35403681 0.59570316] | [0.14912627 0.61289068 0.45455894 0.62695312] | 1H NMR | 300 MHz | CDCl3 | 7.61-7.52 (m, 2H), 7.50-7.29 (m, 8H), 7.17-7.06 (m, 4H), 3.78 (q, J = 7.1 Hz, 2H), 3.45 (s, 2H), 1.13 (t, J = 7.2 Hz, 3H) | null | [('m', [], '2H', 7.61, 7.52), ('m', [], '8H', 7.5, 7.29), ('m', [], '4H', 7.17, 7.06), ('q', ['7.1Hz'], '2H', 3.78, 3.78), ('s', [], '2H', 3.45, 3.45), ('t', ['7.2Hz'], '3H', 1.13, 1.13)] | 21 | 11 | 21 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)Cc1ccc(-c2ccccc2)cc1 | 9 | 9 | [0.1509213 0.5152344 0.35403681 0.59570316] | [0.14912627 0.61289068 0.45455894 0.62695312] | 13C NMR | 75 MHz | CDCl3 | 170.2, 142.2, 140.9, 139.3, 134.6, 129.8, 129.5, 129.4, 128.7, 128.6, 128.0, 127.0, 126.9, 44.2, 40.9, 12.9 | null | [(170.2, None, None), (142.2, None, None), (140.9, None, None), (139.3, None, None), (134.6, None, None), (129.8, None, None), (129.5, None, None), (129.4, None, None), (128.7, None, None), (128.6, None, None), (128.0, None, None), (127.0, None, None), (126.9, None, None), (44.2, None, None), (40.9, None, None), (12.9,... | 22 | 16 | 16 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 | 9 | 10 | [0.15105939 0.80781254 0.37861501 0.88906251] | [0.14912627 0.09355469 0.5799355 0.10839845] | 1H NMR | 300 MHz | CDCl3 | 7.87 (dd, J = 7.8, 1.5 Hz, 1H), 7.75 (d, J = 2.4 Hz, 1H), 7.61-7.33 (m, 7H), 7.18-7.11 (m, 2H), 6.97 (d, J = 8.4 Hz, 1H), 5.16 (s, 2H), 3.76 (d, J = 7.1 Hz, 2H), 3.40 (s, 2H), 1.12 (t, J = 7.1 Hz, 3H) | null | [('dd', ['7.8Hz', '1.5Hz'], '1H', 7.87, 7.87), ('d', ['2.4Hz'], '1H', 7.75, 7.75), ('m', [], '7H', 7.61, 7.33), ('m', [], '2H', 7.18, 7.11), ('d', ['8.4Hz'], '1H', 6.97, 6.97), ('s', [], '2H', 5.16, 5.16), ('d', ['7.1Hz'], '2H', 3.76, 3.76), ('s', [], '2H', 3.4, 3.4), ('t', ['7.1Hz'], '3H', 1.12, 1.12)] | 21 | 14 | 21 |
10.1039_d3gc02345a | CCN(c1ccccc1)C(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 | 9 | 10 | [0.15105939 0.80781254 0.37861501 0.88906251] | [0.14912627 0.09355469 0.5799355 0.10839845] | 13C NMR | 75 MHz | CDCl3 | 190.3, 169.9, 159.9, 141.4, 140.1, 136.3, 135.2, 132.9, 132.1, 131.9, 129.5, 129.3, 128.9, 128.3, 128.0, 127.4, 124.6, 120.5, 73.2, 44.1, 40.0, 12.7 | null | [(190.3, None, None), (169.9, None, None), (159.9, None, None), (141.4, None, None), (140.1, None, None), (136.3, None, None), (135.2, None, None), (132.9, None, None), (132.1, None, None), (131.9, None, None), (129.5, None, None), (129.3, None, None), (128.9, None, None), (128.3, None, None), (128.0, None, None), (127... | 24 | 22 | 22 |
10.1039_d3gc02345a | CCOC(=O)c1ccc(CC(=O)N(CC)CC)cc1OCC | 10 | 10 | [0.15188787 0.34492188 0.34740898 0.39375001] | [0.14912627 0.43671876 0.45455894 0.45078127] | 1H NMR | 300 MHz | CDCl3 | 7.74 (d, J = 7.9 Hz, 1H), 6.91 (d, J = 1.5 Hz, 1H), 6.87-6.72 (m, 1H), 4.34 (q, J = 7.1 Hz, 2H), 4.10 (q, J = 7.0 Hz, 2H), 3.69 (s, 2H), 3.39 (q, J = 7.1 Hz, 2H), 3.26 (q, J = 7.2 Hz, 2H), 1.40 (dt, J = 22.2, 7.0 Hz, 6H), 1.11 (td, J = 7.2, 5.7 Hz, 6H) | null | [('d', ['7.9Hz'], '1H', 7.74, 7.74), ('d', ['1.5Hz'], '1H', 6.91, 6.91), ('m', [], '1H', 6.87, 6.72), ('q', ['7.1Hz'], '2H', 4.34, 4.34), ('q', ['7.0Hz'], '2H', 4.1, 4.1), ('s', [], '2H', 3.69, 3.69), ('q', ['7.1Hz'], '2H', 3.39, 3.39), ('q', ['7.2Hz'], '2H', 3.26, 3.26), ('dt', ['22.2Hz', '7.0Hz'], '6H', 1.4, 1.4), ('... | 25 | 10 | 25 |
10.1039_d3gc02345a | CCOC(=O)c1ccc(CC(=O)N(CC)CC)cc1OCC | 10 | 10 | [0.15188787 0.34492188 0.34740898 0.39375001] | [0.14912627 0.43671876 0.45455894 0.45078127] | 13C NMR | 75 MHz | CDCl3 | 169.1, 166.1, 158.6, 141.1, 131.6, 120.2, 118.9, 113.2, 64.4, 60.4, 42.2, 40.9, 40.0, 14.5, 14.1, 14.0, 12.6 | null | [(169.1, None, None), (166.1, None, None), (158.6, None, None), (141.1, None, None), (131.6, None, None), (120.2, None, None), (118.9, None, None), (113.2, None, None), (64.4, None, None), (60.4, None, None), (42.2, None, None), (40.9, None, None), (40.0, None, None), (14.5, None, None), (14.1, None, None), (14.0, None... | 17 | 15 | 17 |
10.1021_acs.orglett.3c02577 | Cc1ccc2ccc3c(C)cccc3c2c1 | 6 | 6 | [0.13007125 0.66562506 0.23666892 0.77031253] | [0.11764406 0.66328129 0.87929265 0.81015631] | 1H NMR | 500 MHz | CDCl3 | 8.81 (d, J = 8.0 Hz, 1H), 8.60 (d, J = 8.4 Hz, 1H), 8.51 (s, 1H), 7.91 (d, J = 9.1 Hz, 1H), 7.76 (d, J = 9.1 Hz, 1H), 7.54 (t, J = 7.1 Hz, 1H), 7.47-7.40 (m, 2H), 2.77 (s, 3H), 2.64 (s, 3H) | null | [('d', ['8.0Hz'], '1H', 8.81, 8.81), ('d', ['8.4Hz'], '1H', 8.6, 8.6), ('s', [], '1H', 8.51, 8.51), ('d', ['9.1Hz'], '1H', 7.91, 7.91), ('d', ['9.1Hz'], '1H', 7.76, 7.76), ('t', ['7.1Hz'], '1H', 7.54, 7.54), ('m', [], '2H', 7.47, 7.4), ('s', [], '3H', 2.77, 2.77), ('s', [], '3H', 2.64, 2.64)] | 14 | 10 | 14 |
10.1021_acs.orglett.3c02577 | Cc1ccc2ccc3c(C)cccc3c2c1 | 6 | 6 | [0.13007125 0.66562506 0.23666892 0.77031253] | [0.11764406 0.66328129 0.87929265 0.81015631] | 13C NMR | 125 MHz | CDCl3 | 136.2, 134.8, 130.9, 130.7, 130.1, 129.6, 128.3, 128.1, 127.6, 126.5, 125.9, 122.7, 121.9, 120.9, 22.2, 20.0 | null | [(136.2, None, None), (134.8, None, None), (130.9, None, None), (130.7, None, None), (130.1, None, None), (129.6, None, None), (128.3, None, None), (128.1, None, None), (127.6, None, None), (126.5, None, None), (125.9, None, None), (122.7, None, None), (121.9, None, None), (120.9, None, None), (22.2, None, None), (20.0... | 16 | 16 | 16 |
10.1021_acs.orglett.3c02577 | Cc1cccc2c1ccc1ccc(Cl)cc12 | 7 | 7 | [0.1249623 0.14873048 0.23155995 0.25195314] | [0.1187487 0.14453126 0.87929265 0.29062502] | 1H NMR | 500 MHz | CDCl3 | 8.64 (s, 1H), 8.48-8.42 (m, 1H), 7.92 (d, J = 10.1 Hz, 1H), 7.84-7.78 (m, 1H), 7.70 (d, J = 9.1 Hz, 1H), 7.56-7.50 (m, 2H), 7.47 (d, J = 7.2 Hz, 1H), 2.75 (s, 3H) | null | [('s', [], '1H', 8.64, 8.64), ('m', [], '1H', 8.48, 8.42), ('d', ['10.1Hz'], '1H', 7.92, 7.92), ('m', [], '1H', 7.84, 7.78), ('d', ['9.1Hz'], '1H', 7.7, 7.7), ('m', [], '2H', 7.56, 7.5), ('d', ['7.2Hz'], '1H', 7.47, 7.47), ('s', [], '3H', 2.75, 2.75)] | 11 | 9 | 11 |
10.1021_acs.orglett.3c02577 | Cc1cccc2c1ccc1ccc(Cl)cc12 | 7 | 7 | [0.1249623 0.14873048 0.23155995 0.25195314] | [0.1187487 0.14453126 0.87929265 0.29062502] | 13C NMR | 125 MHz | CDCl3 | 134.9, 132.5, 131.7, 131.0, 129.8, 129.3, 128.4, 126.9, 126.4, 125.9, 124.1, 123.1, 122.6, 120.9, 19.9 | null | [(134.9, None, None), (132.5, None, None), (131.7, None, None), (131.0, None, None), (129.8, None, None), (129.3, None, None), (128.4, None, None), (126.9, None, None), (126.4, None, None), (125.9, None, None), (124.1, None, None), (123.1, None, None), (122.6, None, None), (120.9, None, None), (19.9, None, None)] | 15 | 15 | 15 |
10.1021_acs.orglett.3c02577 | Clc1ccc2ccc3ccc(Cl)cc3c2c1 | 7 | 7 | [0.11598709 0.36171876 0.25682858 0.44453126] | [0.26842729 0.36132816 0.87708339 0.45117191] | 1H NMR | 500 MHz | CDCl3 | 8.55-8.44 (m, 2H), 7.84 (s, 1H), 7.80 (d, J = 8.4 Hz, 1H), 7.70 (d, J = 8.8 Hz, 1H), 7.66-7.52 (m, 3H) | null | [('m', [], '2H', 8.55, 8.44), ('s', [], '1H', 7.84, 7.84), ('d', ['8.4Hz'], '1H', 7.8, 7.8), ('d', ['8.8Hz'], '1H', 7.7, 7.7), ('m', [], '3H', 7.66, 7.52)] | 8 | 4 | 8 |
10.1021_acs.orglett.3c02577 | Clc1ccc2ccc3ccc(Cl)cc3c2c1 | 7 | 7 | [0.11598709 0.36171876 0.25682858 0.44453126] | [0.26842729 0.36132816 0.87708339 0.45117191] | 13C NMR | 125 MHz | CDCl3 | 133.0, 130.0, 127.5, 127.4, 126.1, 124.3, 122.2 | null | [(133.0, None, None), (130.0, None, None), (127.5, None, None), (127.4, None, None), (126.1, None, None), (124.3, None, None), (122.2, None, None)] | 14 | 7 | 7 |
10.1021_acs.orglett.3c02577 | c1ccc2cc3c(ccc4ccccc43)cc2c1 | 7 | 7 | [0.11902486 0.54375003 0.26732263 0.60468754] | [0.11488246 0.54062502 0.87929265 0.68671879] | 1H NMR | 500 MHz | CDCl3 | 9.17 (s, 1H), 8.84 (d, J = 8.2 Hz, 1H), 8.37 (s, 1H), 8.17-8.11 (m, 1H), 8.08-8.01 (m, 1H), 7.87-7.83 (m, 1H), 7.80 (d, J = 9.0 Hz, 1H), 7.71-7.59 (m, 3H), 7.58-7.52 (m, 2H), 13 | null | [('s', [], '1H', 9.17, 9.17), ('d', ['8.2Hz'], '1H', 8.84, 8.84), ('s', [], '1H', 8.37, 8.37), ('m', [], '1H', 8.17, 8.11), ('m', [], '1H', 8.08, 8.01), ('m', [], '1H', 7.87, 7.83), ('d', ['9.0Hz'], '1H', 7.8, 7.8), ('m', [], '3H', 7.71, 7.59), ('m', [], '2H', 7.58, 7.52)] | 12 | 12 | 12 |
10.1021_acs.orglett.3c02577 | Cc1cccc2c3ccccc3c3ccccc3c12 | 8 | 8 | [0.12744772 0.12109376 0.23487386 0.20644533] | [0.24964842 0.11464844 0.87818797 0.23535158] | 1H NMR | 500 MHz | CDCl3 | 8.71-8.60 (m, 4H), 8.57 (d, J = 7.8 Hz, 1H), 7.69-7.52 (m, 6H), 3.09 (s, 3H) | null | [('m', [], '4H', 8.71, 8.6), ('d', ['7.8Hz'], '1H', 8.57, 8.57), ('m', [], '6H', 7.69, 7.52), ('s', [], '3H', 3.09, 3.09)] | 14 | 12 | 14 |
10.1021_acs.orglett.3c02577 | Cc1cccc2c3ccccc3c3ccccc3c12 | 8 | 8 | [0.12744772 0.12109376 0.23487386 0.20644533] | [0.24964842 0.11464844 0.87818797 0.23535158] | 13C NMR | 125 MHz | CDCl3 | 135.3, 131.7, 131.3, 131.0, 130.7, 130.5, 130.4, 130.0, 128.5, 127.3, 127.1, 126.6, 126.3, 125.6, 123.7, 123.3, 123.1, 121.1, 26.7 | null | [(135.3, None, None), (131.7, None, None), (131.3, None, None), (131.0, None, None), (130.7, None, None), (130.5, None, None), (130.4, None, None), (130.0, None, None), (128.5, None, None), (127.3, None, None), (127.1, None, None), (126.6, None, None), (126.3, None, None), (125.6, None, None), (123.7, None, None), (123... | 19 | 19 | 19 |
10.1021_acs.orglett.3c02577 | c1ccc2c(c1)c1ccccc1c1ccccc21 | 8 | 8 | [0.12302917 0.5261719 0.23100764 0.61289068] | [0.24550602 0.52578126 0.87929265 0.61093756] | 1H NMR | 500 MHz | CDCl3 | 8.73-8.63 (m, 6H), 7.72-7.62 (m, 6H) | null | [('m', [], '6H', 8.73, 8.63), ('m', [], '6H', 7.72, 7.62)] | 12 | 2 | 12 |
10.1021_acs.orglett.3c02577 | c1ccc2c(c1)c1ccccc1c1ccccc21 | 8 | 8 | [0.12302917 0.5261719 0.23100764 0.61289068] | [0.24550602 0.52578126 0.87929265 0.61093756] | 13C NMR | 125 MHz | CDCl3 | 129.8, 127.2, 123.3 | null | [(129.8, None, None), (127.2, None, None), (123.3, None, None)] | 18 | 3 | 3 |
10.1021_acs.orglett.3c02577 | COC(=O)c1cccc2c3ccccc3c3ccccc3c12 | 8 | 8 | [0.1228911 0.69140632 0.28803461 0.80781254] | [0.305985 0.67812501 0.87929265 0.81640632] | 1H NMR | 500 MHz | CDCl3 | 8.74 (d, J = 8.0 Hz, 1H), 8.67-8.57 (m, 3H), 8.06 (d, J = 8.2 Hz, 1H), 7.83 (d, J = 7.2 Hz, 1H), 7.63-7.27 (m, 4H), 7.54 (t, J = 7.6 Hz, 1H), 3.92 (s, 3H) | null | [('d', ['8.0Hz'], '1H', 8.74, 8.74), ('m', [], '3H', 8.67, 8.57), ('d', ['8.2Hz'], '1H', 8.06, 8.06), ('d', ['7.2Hz'], '1H', 7.83, 7.83), ('m', [], '4H', 7.63, 7.27), ('t', ['7.6Hz'], '1H', 7.54, 7.54), ('s', [], '3H', 3.92, 3.92)] | 14 | 12 | 14 |
10.1021_acs.orglett.3c02577 | COC(=O)c1cccc2c3ccccc3c3ccccc3c12 | 8 | 8 | [0.1228911 0.69140632 0.28803461 0.80781254] | [0.305985 0.67812501 0.87929265 0.81640632] | 13C NMR | 125 MHz | CDCl3 | 172.6, 131.1, 131.0, 130.7, 130.1, 129.2, 128.7, 128.5, 128.4, 127.8, 127.7, 127.6, 127.5, 126.3, 126.1, 125.4, 123.4, 123.3, 123.2, 52.6 | null | [(172.6, None, None), (131.1, None, None), (131.0, None, None), (130.7, None, None), (130.1, None, None), (129.2, None, None), (128.7, None, None), (128.5, None, None), (128.4, None, None), (127.8, None, None), (127.7, None, None), (127.6, None, None), (127.5, None, None), (126.3, None, None), (126.1, None, None), (125... | 20 | 20 | 20 |
10.1021_acs.orglett.3c02577 | c1ccc2c(c1)ccc1c3ccccc3c3ccccc3c21 | 9 | 9 | [0.12095797 0.14785157 0.27008423 0.23359376] | [0.10107447 0.14375001 0.87874031 0.28964846] | 1H NMR | 500 MHz | CDCl3 | 8.96 (d, J = 8.2 Hz, 1H), 8.92 (d, J = 8.3 Hz, 1H), 8.77-8.69 (m, 2H), 8.67-8.58 (m, 2H), 8.01 (t, J = 9.4 Hz, 2H), 7.74-7.58 (m, 6H) | null | [('d', ['8.2Hz'], '1H', 8.96, 8.96), ('d', ['8.3Hz'], '1H', 8.92, 8.92), ('m', [], '2H', 8.77, 8.69), ('m', [], '2H', 8.67, 8.58), ('t', ['9.4Hz'], '2H', 8.01, 8.01), ('m', [], '6H', 7.74, 7.58)] | 14 | 14 | 14 |
10.1021_acs.orglett.3c02577 | c1ccc2c(c1)ccc1c3ccccc3c3ccccc3c21 | 9 | 9 | [0.12095797 0.14785157 0.27008423 0.23359376] | [0.10107447 0.14375001 0.87874031 0.28964846] | 13C NMR | 125 MHz | CDCl3 | 128.8, 126.1, 125.4, 125.2, 125.0, 124.7, 124.6, 123.7, 123.4, 123.3, 122.9, 122.5, 122.3, 121.9, 121.3, 121.2, 121.1, 118.9, 118.7, 118.3, 115.9 | null | [(128.8, None, None), (126.1, None, None), (125.4, None, None), (125.2, None, None), (125.0, None, None), (124.7, None, None), (124.6, None, None), (123.7, None, None), (123.4, None, None), (123.3, None, None), (122.9, None, None), (122.5, None, None), (122.3, None, None), (121.9, None, None), (121.3, None, None), (121... | 22 | 22 | 21 |
10.1021_acs.orglett.3c02577 | Cc1cccc2c3cc(Cl)ccc3c3cc(Cl)ccc3c12 | 9 | 9 | [0.12068181 0.36347657 0.25682858 0.47578129] | [0.27395048 0.35917972 0.87818797 0.47968754] | 1H NMR | 500 MHz | CDCl3 | 8.54-8.46 (m, 3H), 8.42-8.36 (m, 2H), 7.67-7.44 (m, 4H), 3.01 (s, 3H) | null | [('m', [], '3H', 8.54, 8.46), ('m', [], '2H', 8.42, 8.36), ('m', [], '4H', 7.67, 7.44), ('s', [], '3H', 3.01, 3.01)] | 12 | 10 | 12 |
10.1021_acs.orglett.3c02577 | Cc1cccc2c3cc(Cl)ccc3c3cc(Cl)ccc3c12 | 9 | 9 | [0.12068181 0.36347657 0.25682858 0.47578129] | [0.27395048 0.35917972 0.87818797 0.47968754] | 13C NMR | 125 MHz | CDCl3 | 135.3, 134.0, 132.8, 132.5, 132.1, 131.8, 130.1, 130.0, 129.8, 128.9, 127.5, 127.2, 126.7, 126.0, 124.7, 123.5, 122.8, 121.2, 26.6 | null | [(135.3, None, None), (134.0, None, None), (132.8, None, None), (132.5, None, None), (132.1, None, None), (131.8, None, None), (130.1, None, None), (130.0, None, None), (129.8, None, None), (128.9, None, None), (127.5, None, None), (127.2, None, None), (126.7, None, None), (126.0, None, None), (124.7, None, None), (123... | 19 | 19 | 19 |
10.1021_acs.orglett.3c02577 | Cc1ccc2c(c1)c1ccc(C)cc1c1ccc3ccccc3c21 | 9 | 9 | [0.12095797 0.55546878 0.30543268 0.66328129] | [0.32255458 0.54804692 0.87818797 0.6746094 ] | 1H NMR | 500 MHz | CDCl3 | 8.95 (d, J = 8.2 Hz, 1H), 8.78 (d, J = 8.4 Hz, 1H), 8.63-8.57 (m, 2H), 8.49 (s, 1H), 8.43 (s, 1H), 8.00 (d, J = 7.6 Hz, 1H), 7.96 (d, J = 8.8 Hz, 1H), 7.65-7.41 (m, 3H), 7.25 (s, 1H), 2.65 (d, J = 5.4 Hz, 6H) | null | [('d', ['8.2Hz'], '1H', 8.95, 8.95), ('d', ['8.4Hz'], '1H', 8.78, 8.78), ('m', [], '2H', 8.63, 8.57), ('s', [], '1H', 8.49, 8.49), ('s', [], '1H', 8.43, 8.43), ('d', ['7.6Hz'], '1H', 8.0, 8.0), ('d', ['8.8Hz'], '1H', 7.96, 7.96), ('m', [], '3H', 7.65, 7.41), ('s', [], '1H', 7.25, 7.25), ('d', ['5.4Hz'], '6H', 2.65, 2.6... | 18 | 14 | 18 |
10.1021_acs.orglett.3c02577 | Cc1ccc2c(c1)c1ccc(C)cc1c1ccc3ccccc3c21 | 9 | 9 | [0.12095797 0.55546878 0.30543268 0.66328129] | [0.32255458 0.54804692 0.87818797 0.6746094 ] | 13C NMR | 125 MHz | CDCl3 | 136.8, 136.2, 133.5, 131.0, 130.2, 129.9, 129.3, 128.5, 128.4, 128.0, 127.6, 127.5, 127.4, 127.1, 127.0, 126.9, 125.7, 125.6, 123.6, 123.1, 123.0, 120.8, 21.9, 21.8 | null | [(136.8, None, None), (136.2, None, None), (133.5, None, None), (131.0, None, None), (130.2, None, None), (129.9, None, None), (129.3, None, None), (128.5, None, None), (128.4, None, None), (128.0, None, None), (127.6, None, None), (127.5, None, None), (127.4, None, None), (127.1, None, None), (127.0, None, None), (126... | 24 | 24 | 24 |
10.1039_c1cc13352g | O=C(c1ccccc1)c1ccccc1 | 1 | 1 | [0.1502309 0.46210938 0.26732263 0.51289067] | [0.14636467 0.53203128 0.84836274 0.56562504] | 1H NMR | 400 MHz | CDCl3 | 7.81 (dd, J = 7.5, 1.5 Hz, 2H), 7.59 (tt, J = 7.5, 1.5 Hz, 4H), 7.48 (t, J = 7.5 Hz, 4H) | null | [('dd', ['7.5Hz', '1.5Hz'], '2H', 7.81, 7.81), ('tt', ['7.5Hz', '1.5Hz'], '4H', 7.59, 7.59), ('t', ['7.5Hz'], '4H', 7.48, 7.48)] | 10 | 3 | 10 |
10.1039_c1cc13352g | Cc1ccc(C(=O)c2ccccc2)cc1 | 1 | 1 | [0.14995474 0.61054692 0.28361607 0.66289065] | [0.14802163 0.67968757 0.84946742 0.71406254] | 1H NMR | 400 MHz | CDCl3 | 7.78 (dd, J = 7.6, 1.5 Hz, 2H), 7.72 (d, J = 8.0 Hz, 2H), 7.57 (tt, J = 7.6, 1.5 Hz, 1H), 7.47 (t, J = 7.6 Hz, 2H), 7.28 (d, J = 8.0 Hz, 2H), 2.44 (s, 3H) | null | [('dd', ['7.6Hz', '1.5Hz'], '2H', 7.78, 7.78), ('d', ['8.0Hz'], '2H', 7.72, 7.72), ('tt', ['7.6Hz', '1.5Hz'], '1H', 7.57, 7.57), ('t', ['7.6Hz'], '2H', 7.47, 7.47), ('d', ['8.0Hz'], '2H', 7.28, 7.28), ('s', [], '3H', 2.44, 2.44)] | 12 | 6 | 12 |
10.1039_c1cc13352g | Cc1cccc(C(=O)c2ccccc2)c1 | 1 | 1 | [0.14967859 0.75937506 0.28389222 0.81171879] | [0.14802163 0.82890628 0.85057205 0.86171876] | 1H NMR | 400 MHz | CDCl3 | 7.79 (dd, J = 7.8, 1.3 Hz, 2H), 7.62 (s, 1H), 7.59-7.54 (m, 2H), 7.46 (t, J = 7.8 Hz, 2H), 7.38 (d, J = 7.5 Hz, 1H), 7.34 (t, J = 7.5 Hz, 1H), 2.40 (s, 3H) | null | [('dd', ['7.8Hz', '1.3Hz'], '2H', 7.79, 7.79), ('s', [], '1H', 7.62, 7.62), ('m', [], '2H', 7.59, 7.54), ('t', ['7.8Hz'], '2H', 7.46, 7.46), ('d', ['7.5Hz'], '1H', 7.38, 7.38), ('t', ['7.5Hz'], '1H', 7.34, 7.34), ('s', [], '3H', 2.4, 2.4)] | 12 | 8 | 12 |
10.1039_c1cc13352g | Cc1ccccc1C(=O)c1ccccc1 | 2 | 2 | [0.1502309 0.0913086 0.26677032 0.14345704] | [0.1474693 0.16132813 0.84836274 0.21367189] | 1H NMR | 400 MHz | CDCl3 | 7.80 (dd, J = 7.8, 1.3 Hz, 2H), 7.57 (tt, J = 7.8, 1.3 Hz, 1H), 7.44 (t, J = 7.8 Hz, 2H), 7.38 (td, J = 7.5, 1.4 Hz, 1H), 7.30 (dd, J = 7.5, 1.4 Hz, 1H), 7.28 (d, J = 7.9 Hz, 1H), 7.22 (t, J = 7.9 Hz, 1H), 2.33 (s, 3H) | null | [('dd', ['7.8Hz', '1.3Hz'], '2H', 7.8, 7.8), ('tt', ['7.8Hz', '1.3Hz'], '1H', 7.57, 7.57), ('t', ['7.8Hz'], '2H', 7.44, 7.44), ('td', ['7.5Hz', '1.4Hz'], '1H', 7.38, 7.38), ('dd', ['7.5Hz', '1.4Hz'], '1H', 7.3, 7.3), ('d', ['7.9Hz'], '1H', 7.28, 7.28), ('t', ['7.9Hz'], '1H', 7.22, 7.22), ('s', [], '3H', 2.33, 2.33)] | 12 | 8 | 12 |
10.1039_c1cc13352g | O(c1ccc(C(=O)c2ccccc2)cc1OC)C | 2 | 2 | [0.1502309 0.25703126 0.32835395 0.31875001] | [0.14802163 0.328125 0.85167668 0.38046877] | 1H NMR | 400 MHz | CDCl3 | 7.76 (dd, J = 7.8, 1.5 Hz, 2H), 7.57 (tt, J = 7.8, 1.5 Hz, 1H), 7.50 (d, J = 2.0 Hz, 1H), 7.48 (t, J = 7.8 Hz, 2H), 7.38 (dd, J = 8.4, 2.0 Hz, 1H), 6.90 (d, J = 8.4 Hz, 1H), 3.96 (s, 3H), 3.95 (s, 3H) | null | [('dd', ['7.8Hz', '1.5Hz'], '2H', 7.76, 7.76), ('tt', ['7.8Hz', '1.5Hz'], '1H', 7.57, 7.57), ('d', ['2.0Hz'], '1H', 7.5, 7.5), ('t', ['7.8Hz'], '2H', 7.48, 7.48), ('dd', ['8.4Hz', '2.0Hz'], '1H', 7.38, 7.38), ('d', ['8.4Hz'], '1H', 6.9, 6.9), ('s', [], '3H', 3.96, 3.96), ('s', [], '3H', 3.95, 3.95)] | 14 | 8 | 14 |
10.1039_c1cc13352g | O=C(c1ccccc1)c1cccc(Br)c1 | 2 | 2 | [0.15105939 0.42265628 0.31150819 0.47890626] | [0.14802163 0.49570315 0.85057205 0.52929691] | 1H NMR | 400 MHz | CDCl3 | 7.93 (t, J = 1.8 Hz, 1H), 7.78 (dd, J = 7.8, 1.5 Hz, 2H), 7.70 (dd, J = 7.8, 1.8 Hz, 2H), 7.61 (tt, J = 7.8, 1.5 Hz, 1H), 7.49 (t, J = 7.8 Hz, 2H), 7.35 (t, J = 7.8 Hz, 1H) | null | [('t', ['1.8Hz'], '1H', 7.93, 7.93), ('dd', ['7.8Hz', '1.5Hz'], '2H', 7.78, 7.78), ('dd', ['7.8Hz', '1.8Hz'], '2H', 7.7, 7.7), ('tt', ['7.8Hz', '1.5Hz'], '1H', 7.61, 7.61), ('t', ['7.8Hz'], '2H', 7.49, 7.49), ('t', ['7.8Hz'], '1H', 7.35, 7.35)] | 9 | 7 | 9 |
10.1039_c1cc13352g | O=C(c1ccccc1)c1ccc(Cl)cc1 | 2 | 2 | [0.14995474 0.57265626 0.29687175 0.63046881] | [0.14857395 0.64375004 0.84725811 0.67656253] | 1H NMR | 400 MHz | CDCl3 | 7.77 (d, J = 7.4 Hz, 2H), 7.75 (d, J = 8.2 Hz, 2H), 7.60 (t, J = 7.4 Hz, 1H), 7.38 (t, J = 7.4 Hz, 2H), 7.34 (d, J = 8.2 Hz, 2H) | null | [('d', ['7.4Hz'], '2H', 7.77, 7.77), ('d', ['8.2Hz'], '2H', 7.75, 7.75), ('t', ['7.4Hz'], '1H', 7.6, 7.6), ('t', ['7.4Hz'], '2H', 7.38, 7.38), ('d', ['8.2Hz'], '2H', 7.34, 7.34)] | 9 | 5 | 9 |
10.1039_c1cc13352g | O=C(c1ccccc1)c1ccc(F)cc1 | 2 | 2 | [0.14995474 0.72031256 0.29714789 0.78125007] | [0.14912627 0.79218754 0.84836274 0.82500003] | 1H NMR | 400 MHz | CDCl3 | 7.85 (dd, J = 8.9, 5.5 Hz, 2H), 7.77 (dd, J = 7.8, 1.4 Hz, 2H), 7.59 (tt, J = 7.8, 1.4 Hz, 1H), 7.49 (t, J = 7.8 Hz, 2H), 7.16 (dd, J = 8.9, 8.9 Hz, 2H) | null | [('dd', ['8.9Hz', '5.5Hz'], '2H', 7.85, 7.85), ('dd', ['7.8Hz', '1.4Hz'], '2H', 7.77, 7.77), ('tt', ['7.8Hz', '1.4Hz'], '1H', 7.59, 7.59), ('t', ['7.8Hz'], '2H', 7.49, 7.49), ('dd', ['8.9Hz', '8.9Hz'], '2H', 7.16, 7.16)] | 9 | 5 | 9 |
10.1039_c1cc13352g | [N+](c1ccc(C(=O)c2ccccc2)cc1)(=O)[O-] | 3 | 3 | [0.14995474 0.09135742 0.31261285 0.15117189] | [0.14912627 0.16132813 0.84781045 0.19531252] | 1H NMR | 400 MHz | CDCl3 | 8.34 (d, J = 8.8 Hz, 2H), 7.94 (d, J = 8.8 Hz, 2H), 7.80 (dd, J =7.8, 1.5 Hz, 2H), 7.66 (tt, J = 7.8, 1.5 Hz, 1H), 7.53 (t, J = 7.8 Hz, 2H) | null | [('d', ['8.8Hz'], '2H', 8.34, 8.34), ('d', ['8.8Hz'], '2H', 7.94, 7.94), ('dd', ['7.8Hz', '1.5Hz'], '2H', 7.8, 7.8), ('tt', ['7.8Hz', '1.5Hz'], '1H', 7.66, 7.66), ('t', ['7.8Hz'], '2H', 7.53, 7.53)] | 9 | 5 | 9 |
10.1039_c1cc13352g | O=C(Cc1ccccc1)c1ccccc1 | 3 | 3 | [0.1516117 0.24414064 0.29714789 0.30351564] | [0.14802163 0.32871096 0.84725811 0.36230472] | 1H NMR | 400 MHz | CDCl3 | 8.01 (dd, J = 7.8, 1.5 Hz, 2H), 7.55 (tt, J = 7.8, 1.5 Hz, 1H), 7.45 (t, J = 7.8 Hz, 2H), 7.35-7.30 (m, 2H), 7.29-7.22 (m, 3H), 4.28 (s, 2H) | null | [('dd', ['7.8Hz', '1.5Hz'], '2H', 8.01, 8.01), ('tt', ['7.8Hz', '1.5Hz'], '1H', 7.55, 7.55), ('t', ['7.8Hz'], '2H', 7.45, 7.45), ('m', [], '2H', 7.35, 7.3), ('m', [], '3H', 7.29, 7.22), ('s', [], '2H', 4.28, 4.28)] | 12 | 7 | 12 |
10.1039_c1cc13352g | O=C(CCCc1ccccc1)c1ccccc1 | 3 | 3 | [0.1502309 0.40312503 0.32697315 0.46015626] | [0.1474693 0.47578129 0.84836274 0.52890627] | 1H NMR | 400 MHz | CDCl3 | 7.91 (dd, J = 7.5, 1.5 Hz, 2H), 7.53 (tt, J = 7.5, 1.5 Hz, 1H), 7.43 (t, J = 7.5 Hz, 2H), 7.28 (t, J = 7.5 Hz, 2H), 7.22-7.16 (m, 3H), 2.97 (t, J = 7.4 Hz, 2H), 2.72 (t, J = 7.4 Hz, 2H), 2.08 (quintet, J = 7.4 Hz, 2H) | null | [('dd', ['7.5Hz', '1.5Hz'], '2H', 7.91, 7.91), ('tt', ['7.5Hz', '1.5Hz'], '1H', 7.53, 7.53), ('t', ['7.5Hz'], '2H', 7.43, 7.43), ('t', ['7.5Hz'], '2H', 7.28, 7.28), ('m', [], '3H', 7.22, 7.16), ('t', ['7.4Hz'], '2H', 2.97, 2.97), ('t', ['7.4Hz'], '2H', 2.72, 2.72), ('p', ['7.4Hz'], '2H', 2.08, 2.08)] | 16 | 9 | 16 |
10.1039_c1cc13352g | Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | 3 | 3 | [0.14995474 0.70000003 0.32724932 0.76093754] | [0.14857395 0.77265629 0.84836274 0.80703126] | 1H NMR | 400 MHz | CDCl3 | 7.73 (d, J = 8.6 Hz, 2H), 7.69 (d, J = 8.0 Hz, 2H), 7.45 (d, J = 8.6 Hz, 2H), 7.29 (d, J = 8.0 Hz, 2H), 2.44 (s, 3H) | null | [('d', ['8.6Hz'], '2H', 7.73, 7.73), ('d', ['8.0Hz'], '2H', 7.69, 7.69), ('d', ['8.6Hz'], '2H', 7.45, 7.45), ('d', ['8.0Hz'], '2H', 7.29, 7.29), ('s', [], '3H', 2.44, 2.44)] | 11 | 5 | 11 |
10.1039_c1cc13352g | Cc1ccc(C(=O)Cc2ccccc2)cc1 | 4 | 4 | [0.15050707 0.0878418 0.31344133 0.14609375] | [0.14857395 0.16132813 0.84946742 0.19531252] | 1H NMR | 400 MHz | CDCl3 | 7.91 (d, J = 8.2 Hz, 2H), 7.31 (t, J = 7.2 Hz, 2H), 7.28-7.21 (m, 5H), 4.25 (s, 2H), 2.40 (s, 3H) | null | [('d', ['8.2Hz'], '2H', 7.91, 7.91), ('t', ['7.2Hz'], '2H', 7.31, 7.31), ('m', [], '5H', 7.28, 7.21), ('s', [], '2H', 4.25, 4.25), ('s', [], '3H', 2.4, 2.4)] | 14 | 7 | 14 |
10.1039_c1cc13352g | O=C(Cc1ccccc1)c1ccc(Cl)cc1 | 4 | 4 | [0.15050707 0.36601565 0.32697315 0.42851565] | [0.14802163 0.43906252 0.84891508 0.47343753] | 1H NMR | 400 MHz | CDCl3 | 7.94 (d, J = 8.6 Hz, 2H), 7.42 (d, J = 8.6 Hz, 2H), 7.35-7.30 (m, 2H), 7.28-7.22 (m, 3H), 4.25 (s, 2H) | null | [('d', ['8.6Hz'], '2H', 7.94, 7.94), ('d', ['8.6Hz'], '2H', 7.42, 7.42), ('m', [], '2H', 7.35, 7.3), ('m', [], '3H', 7.28, 7.22), ('s', [], '2H', 4.25, 4.25)] | 11 | 6 | 11 |
10.1039_c1cc13352g | Cc1ccc(C(=O)c2ccc(F)cc2)cc1 | 4 | 4 | [0.15133554 0.51718752 0.31233668 0.57578127] | [0.14857395 0.58671878 0.85167668 0.62109375] | 1H NMR | 400 MHz | CDCl3 | 7.82 (dd, J = 8.8, 5.5 Hz, 2H), 7.68 (d, J = 8.0 Hz, 2H), 7.28 (d, J = 8.0 Hz, 2H), 7.15 (dd, J = 8.8, 8.8 Hz, 2H), 2.44 (s, 3H) | null | [('dd', ['8.8Hz', '5.5Hz'], '2H', 7.82, 7.82), ('d', ['8.0Hz'], '2H', 7.68, 7.68), ('d', ['8.0Hz'], '2H', 7.28, 7.28), ('dd', ['8.8Hz', '8.8Hz'], '2H', 7.15, 7.15), ('s', [], '3H', 2.44, 2.44)] | 11 | 5 | 11 |
10.1039_c1cc13352g | O=C(c1ccc(F)cc1)c1ccc(Cl)cc1 | 4 | 4 | [0.15244018 0.6640625 0.32807778 0.72968754] | [0.14857395 0.73515628 0.85167668 0.76953132] | 1H NMR | 400 MHz | CDCl3 | 7.82 (dd, J = 8.8, 5.4 Hz, 2H), 7.72 (d, J = 8.6 Hz, 2H), 7.47 (d, J = 8.6 Hz, 2H), 7.17 (dd, J = 8.8, 8.8 Hz, 2H) | null | [('dd', ['8.8Hz', '5.4Hz'], '2H', 7.82, 7.82), ('d', ['8.6Hz'], '2H', 7.72, 7.72), ('d', ['8.6Hz'], '2H', 7.47, 7.47), ('dd', ['8.8Hz', '8.8Hz'], '2H', 7.17, 7.17)] | 8 | 4 | 8 |
10.1039_c1cc13352g | O=C(Cc1ccccc1)c1ccc(F)cc1 | 4 | 5 | [0.1516117 0.81718753 0.32724932 0.88281257] | [0.0027616 0. 0.8583045 0.02893067] | 1H NMR | 400 MHz | CDCl3 | 8.03 (dd, J = 8.8, 5.3 Hz, 2H), 7.33 (t, J = 7.3 Hz, 2H), 7.28-7.22 (m, 3H), 7.11 (dd, J = 8.8, 8.8 Hz, 2H), 4.25 (s, 2H) | null | [('dd', ['8.8Hz', '5.3Hz'], '2H', 8.03, 8.03), ('t', ['7.3Hz'], '2H', 7.33, 7.33), ('m', [], '3H', 7.28, 7.22), ('dd', ['8.8Hz', '8.8Hz'], '2H', 7.11, 7.11), ('s', [], '2H', 4.25, 4.25)] | 11 | 6 | 11 |
10.1039_c1cc13352g | COc1ccc(C(=O)c2ccccc2)cc1 | 5 | 5 | [0.15133554 0.16445314 0.32752546 0.22617188] | [0.15078323 0.23750001 0.84781045 0.26953127] | 1H NMR | 400 MHz | CDCl3 | 7.82 (d, J = 8.7 Hz, 2H), 7.75 (d, J = 7.3 Hz, 2H), 7.55 (t, J = 7.3 Hz, 1H), 7.46 (t, J = 7.3 Hz, 2H), 6.95 (d, J = 8.7 Hz, 2H), 3.87 (s, 3H) | null | [('d', ['8.7Hz'], '2H', 7.82, 7.82), ('d', ['7.3Hz'], '2H', 7.75, 7.75), ('t', ['7.3Hz'], '1H', 7.55, 7.55), ('t', ['7.3Hz'], '2H', 7.46, 7.46), ('d', ['8.7Hz'], '2H', 6.95, 6.95), ('s', [], '3H', 3.87, 3.87)] | 12 | 6 | 12 |
10.1039_c1cc13352g | COc1ccc(C(=O)Cc2ccccc2)cc1 | 5 | 5 | [0.16044882 0.31054688 0.35762689 0.37656252] | [0.14912627 0.38535158 0.84836274 0.41796879] | 1H NMR | 400 MHz | CDCl3 | 7.99 (d, J = 8.8 Hz, 2H), 7.31 (t, J = 7.3 Hz, 2H), 7.27 (d, J = 7.3 Hz, 2H), 7.23 (t, J = 7.3 Hz, 1H), 6.91 (d, J = 8.8 Hz, 2H), 4.22 (s, 2H ), 3.84 (s, 3H) | null | [('d', ['8.8Hz'], '2H', 7.99, 7.99), ('t', ['7.3Hz'], '2H', 7.31, 7.31), ('d', ['7.3Hz'], '2H', 7.27, 7.27), ('t', ['7.3Hz'], '1H', 7.23, 7.23), ('d', ['8.8Hz'], '2H', 6.91, 6.91), ('s', [], '2H', 4.22, 4.22), ('s', [], '3H', 3.84, 3.84)] | 14 | 7 | 14 |
10.1039_c1cc13352g | O=C(Cc1ccccc1)c1cccc2ccccc12 | 5 | 5 | [0.15078323 0.63203129 0.31233668 0.69140632] | [0.14802163 0.71757815 0.84946742 0.75117192] | 1H NMR | 400 MHz | CDCl3 | 8.56 (d, J = 8.4 Hz, 1H), 7.95 (d, J = 8.8 Hz, 1H), 7.93 (d, J = 7.9 Hz, 1H), 7.84 (d, J = 8.1 Hz, 1H), 7.58-7.43 (m, 3H), 7.34-7.20 (m, 5H), 4.36 (s, 2H) | null | [('d', ['8.4Hz'], '1H', 8.56, 8.56), ('d', ['8.8Hz'], '1H', 7.95, 7.95), ('d', ['7.9Hz'], '1H', 7.93, 7.93), ('d', ['8.1Hz'], '1H', 7.84, 7.84), ('m', [], '3H', 7.58, 7.43), ('m', [], '5H', 7.34, 7.2), ('s', [], '2H', 4.36, 4.36)] | 14 | 11 | 14 |
10.1039_c1cc13352g | Cc1ccc(C(=O)c2ccc3ccccc3c2)cc1 | 6 | 6 | [0.15105939 0.12607422 0.32780163 0.17939454] | [0.14857395 0.19804689 0.84836274 0.23203125] | 1H NMR | 400 MHz | CDCl3 | 8.25 (s, 1H), 7.94-7.88 (m, 4H), 7.78 (d, J = 8.0 Hz, 2H), 7.63-7.57 (m, 1H), 7.57-7.51 (m, 1H), 7.31 (d, J = 8.0 Hz, 2H), 2.46 (s, 3H) | null | [('s', [], '1H', 8.25, 8.25), ('m', [], '4H', 7.94, 7.88), ('d', ['8.0Hz'], '2H', 7.78, 7.78), ('m', [], '1H', 7.63, 7.57), ('m', [], '1H', 7.57, 7.51), ('d', ['8.0Hz'], '2H', 7.31, 7.31), ('s', [], '3H', 2.46, 2.46)] | 14 | 10 | 14 |
10.1039_c1cc13352g | O=C(c1ccc(Cl)cc1)c1ccc2ccccc2c1 | 6 | 6 | [0.15078323 0.27343752 0.34271425 0.33125001] | [0.14857395 0.34687501 0.84946742 0.38046877] | 1H NMR | 400 MHz | CDCl3 | 8.22 (s, 1H), 7.96-7.88 (m, 4H), 7.80 (d, J = 8.5 Hz, 2H), 7.65-7.58 (m, 1H), 7.58-7.53 (m, 1H), 7.48 (d, J = 8.5 Hz, 2H) | null | [('s', [], '1H', 8.22, 8.22), ('m', [], '4H', 7.96, 7.88), ('d', ['8.5Hz'], '2H', 7.8, 7.8), ('m', [], '1H', 7.65, 7.58), ('m', [], '1H', 7.58, 7.53), ('d', ['8.5Hz'], '2H', 7.48, 7.48)] | 11 | 9 | 11 |
10.1039_c1cc13352g | O=C(Cc1ccccc1)c1ccc2ccccc2c1 | 6 | 6 | [0.1516117 0.42890626 0.3424381 0.49140629] | [0.14802163 0.51328127 0.84725811 0.56640629] | 1H NMR | 400 MHz | CDCl3 | 8.54 (s, 1H), 8.06 (dd, J = 7.7, 1.4 Hz, 1H), 7.95 (d, J = 7.8 Hz, 1H), 7.87 (dd, J = 7.7 Hz, 1H), 7.85 (d, J = 7.8 Hz, 1H), 7.62-7.56 (m, 1H), 7.56-7.51 (m, 1H), 7.36-7.22 (m, 5H), 4.41 (s, 2H) | null | [('s', [], '1H', 8.54, 8.54), ('dd', ['7.7Hz', '1.4Hz'], '1H', 8.06, 8.06), ('d', ['7.8Hz'], '1H', 7.95, 7.95), ('dd', ['7.7Hz'], '1H', 7.87, 7.87), ('d', ['7.8Hz'], '1H', 7.85, 7.85), ('m', [], '1H', 7.62, 7.56), ('m', [], '1H', 7.56, 7.51), ('m', [], '5H', 7.36, 7.22), ('s', [], '2H', 4.41, 4.41)] | 14 | 11 | 14 |
10.1002_chem.201000960 | CC(C)(C)C(=O)OCc1ccc(CO)cc1 | 3 | 3 | [0.64454571 0.39101564 0.85239237 0.4480469 ] | [0.14151261 0.42968754 0.85902577 0.61093756] | 1H NMR | 300 MHz | CDCl3 | 1.22 (s, 9H, t-Bu), 2.25 (br, 1H, OH), 4.67 (s, 2H, benzyl), 5.09 (s, 2H, benzyl), 7.2-7.4 (m, 4H, Ar) | null | [('s', [], '9H', 1.22, 1.22), ('br', [], '1H', 2.25, 2.25), ('s', [], '2H', 4.67, 4.67), ('s', [], '2H', 5.09, 5.09), ('m', [], '4H', 7.4, 7.2)] | 18 | 6 | 18 |
10.1002_chem.201000960 | CC(C)(C)C(=O)OCc1ccc(CO)cc1 | 3 | 3 | [0.64454571 0.39101564 0.85239237 0.4480469 ] | [0.14151261 0.42968754 0.85902577 0.61093756] | 13C NMR | 75 MHz | CDCl3 | 27.14, 38.76, 64.93, 65.78, 127.06, 127.93, 135.83, 140.74, 178.32 | null | [(27.14, None, None), (38.76, None, None), (64.93, None, None), (65.78, None, None), (127.06, None, None), (127.93, None, None), (135.83, None, None), (140.74, None, None), (178.32, None, None)] | 13 | 9 | 9 |
10.1002_chem.201000960 | CC(=O)NCc1ccc(CO)cc1 | 3 | 3 | [0.66665706 0.62890625 0.85460354 0.68515631] | [0.14151261 0.65468751 0.86013137 0.84843753] | 1H NMR | 300 MHz | DMSO-d6 | 1.85 (s, 3H, acetyl), 4.21 (d, J = 6.6 Hz, 2H, benzyl), 4.45 (d, J = 5.4 Hz, 2H, benzyl), 5.06 (t, J = 5.4 Hz, 1H, OH), 7.2 7.3 (m, 4H, Ar), 8.23 (br, 1H, NH) | null | [('s', [], '3H', 1.85, 1.85), ('d', ['6.6Hz'], '2H', 4.21, 4.21), ('d', ['5.4Hz'], '2H', 4.45, 4.45), ('t', ['5.4Hz'], '1H', 5.06, 5.06), ('m', [], '4H', 7.3, 7.3), ('br', [], '1H', 8.23, 8.23)] | 13 | 7 | 13 |
10.1002_chem.201000960 | CC(=O)NCc1ccc(CO)cc1 | 3 | 3 | [0.66665706 0.62890625 0.85460354 0.68515631] | [0.14151261 0.65468751 0.86013137 0.84843753] | 13C NMR | 75 MHz | DMSO-d6 | 22.66, 42.04, 62.82, 126.51, 127.13, 138.04, 141.11, 169.13 | null | [(22.66, None, None), (42.04, None, None), (62.82, None, None), (126.51, None, None), (127.13, None, None), (138.04, None, None), (141.11, None, None), (169.13, None, None)] | 10 | 8 | 8 |
10.1002_chem.201000960 | CC(C)(C)OC(=O)NCCCCCCO | 4 | 4 | [0.60363975 0.11757813 0.85349793 0.16328126] | [0.14151261 0.36113284 0.86234244 0.58710942] | 13C NMR | 75 MHz | CDCl3 | 25.30, 26.36, 29.95, 32.56, 40.93, 62.68, 66.60, 128.05, 128.48, 136.69, 156.47 | null | [(25.3, None, None), (26.36, None, None), (29.95, None, None), (32.56, None, None), (40.93, None, None), (62.68, None, None), (66.6, None, None), (128.05, None, None), (128.48, None, None), (136.69, None, None), (156.47, None, None)] | 11 | 9 | 11 |
10.1002_chem.201000960 | CCCCCCCCCCCCCCCCCCO | 4 | 4 | [0.45825765 0.62265631 0.85294518 0.63359378] | [0.14151261 0.62968753 0.85792021 0.80234381] | 13C NMR | 75 MHz | CDCl3 | 14.07, 22.67, 25.75, 29.34, 29.60, 29.65, 29.69, 31.92, 32.85, 63.10 | null | [(14.07, None, None), (22.67, None, None), (25.75, None, None), (29.34, None, None), (29.6, None, None), (29.65, None, None), (29.69, None, None), (31.92, None, None), (32.85, None, None), (63.1, None, None)] | 18 | 18 | 10 |
10.1002_chem.201000960 | OC1CCc2ccccc21 | 5 | 5 | [0.76173588 0.48750004 0.85460354 0.54062502] | [0.14206539 0.52734379 0.85957857 0.70859381] | 1H NMR | 300 MHz | CDCl3 | 1.80 (br, 1H, OH), 1.9 2.0 (m, 1H, CH2), 2.4 2.5 (m, 1H, CH2), 2.8 2.9 (m, 1H, CH2), 3.0 3.1 (m, 1H, CH2), 5.23 (t, J = 6.0 Hz, 1H, OCH), 7.2-7.4 (m, 4H, Ar) | null | [('br', [], '1H', 1.8, 1.8), ('m', [], '1H', 2.0, 2.0), ('m', [], '1H', 2.5, 2.5), ('m', [], '1H', 2.9, 2.9), ('m', [], '1H', 3.1, 3.1), ('t', ['6.0Hz'], '1H', 5.23, 5.23), ('m', [], '4H', 7.4, 7.2)] | 10 | 8 | 10 |
10.1002_chem.201000960 | C[C@@H](O)c1ccccc1 | 5 | 5 | [0.7495746 0.7363282 0.85349793 0.78945314] | [0.14151261 0.76445315 0.85792021 0.89843757] | 1H NMR | 300 MHz | CDCl3 | 1.49 (d, J = 6.6 Hz, 3H, CH3), 1.81 (br, 1H, OH), 4.89 (q, J = 6.6 Hz, 1H, OCH), 7.2 7.4 (m, 5H, Ph) | null | [('d', ['6.6Hz'], '3H', 1.49, 1.49), ('br', [], '1H', 1.81, 1.81), ('q', ['6.6Hz'], '1H', 4.89, 4.89), ('m', [], '5H', 7.4, 7.4)] | 10 | 6 | 10 |
10.1002_chem.201000960 | C[C@@H](O)c1ccccc1 | 5 | 5 | [0.7495746 0.7363282 0.85349793 0.78945314] | [0.14151261 0.76445315 0.85792021 0.89843757] | 13C NMR | 75 MHz | CDCl3 | 25.05, 70.27, 125.34, 127.35, 128.40, 145.83 | null | [(25.05, None, None), (70.27, None, None), (125.34, None, None), (127.35, None, None), (128.4, None, None), (145.83, None, None)] | 8 | 6 | 6 |
10.1002_chem.201000960 | OC12CC3CC(CC(C3)C1)C2 | 6 | 6 | [0.77887214 0.45234376 0.8418895 0.51171879] | [0.14261818 0.50390629 0.85902577 0.63671875] | 1H NMR | 300 MHz | CDCl3 | 1.33 (br, 1H, OH), 1.6 (m, 6H, CH2), 1.71 (br, 6H, OCCH2), 2.14 (br, 3H, CH) | null | [('br', [], '1H', 1.33, 1.33), ('m', [], '6H', 1.6, 1.6), ('br', [], '6H', 1.71, 1.71), ('br', [], '3H', 2.14, 2.14)] | 16 | 4 | 16 |
10.1002_chem.201000960 | OC12CC3CC(CC(C3)C1)C2 | 6 | 6 | [0.77887214 0.45234376 0.8418895 0.51171879] | [0.14261818 0.50390629 0.85902577 0.63671875] | 13C NMR | 75 MHz | CDCl3 | 30.78, 36.13, 45.41, 68.18 | null | [(30.78, None, None), (36.13, None, None), (45.41, None, None), (68.18, None, None)] | 10 | 4 | 4 |
10.1002_chem.201000960 | COC(=O)[C@H](CO)NC(=O)OC(C)(C)C | 7 | 7 | [0.68324057 0.38750003 0.85349793 0.44843751] | [0.14151261 0.71718751 0.86013137 0.89843757] | 1H NMR | 400 MHz | CDCl3 | 2.43 (bs, 1H, OH), 3.76 (s, 3H, Me), 3.90 (dd, 1H, J = 4.0, 11.2 Hz, CH2), 3.97 (dd, 1H, J = 4.0, 11.2 Hz, CH2), 4.43 (bs, 1H, CH), 5.12 (s, 2H, CH2Ph), 5.74 (bs, 1H, NH), 7.3-7.4 (m, 5H, Ph) | null | [('brs', [], '1H', 2.43, 2.43), ('s', [], '3H', 3.76, 3.76), ('dd', ['4.0Hz', '11.2Hz'], '1H', 3.9, 3.9), ('dd', ['4.0Hz', '11.2Hz'], '1H', 3.97, 3.97), ('brs', [], '1H', 4.43, 4.43), ('s', [], '2H', 5.12, 5.12), ('brs', [], '1H', 5.74, 5.74), ('m', [], '5H', 7.4, 7.3)] | 17 | 6 | 15 |
10.1002_anie.201301155 | CCO[Si](CCCNC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)(OCC)OCC | 0 | 0 | [0.51973265 0.29296877 0.85112439 0.39453129] | [0.08616185 0.40546876 0.90801331 0.44531254] | 1H NMR | 200 MHz | CDCl3 | 8.81-8.85 (m, 1H), 8.71 (s, 1H), 7.43 (d, J = 8.8 Hz, 1H), 6.65 (dd, J = 2.5 Hz, J = 8.8 Hz, 1H), 6.51 (d, J = 2.5 Hz, 1H), 3.83 (q, J = 6.9 Hz, 6H), 3.40-3.51 (m, 6H), 1.66-1.82 (m, 2H), 1.20-1.28 (m, 15H), 0.67-0.76 (m, 2H) | null | [('m', [], '1H', 8.85, 8.81), ('s', [], '1H', 8.71, 8.71), ('d', ['8.8Hz'], '1H', 7.43, 7.43), ('dd', "['2.5Hz', '8.8Hz']", '1H', 6.65, 6.65), ('d', ['2.5Hz'], '1H', 6.51, 6.51), ('q', ['6.9Hz'], '6H', 3.83, 3.83), ('m', [], '6H', 3.51, 3.4), ('m', [], '2H', 1.82, 1.66), ('m', [], '15H', 1.28, 1.2), ('m', [], '2H', 0.7... | 36 | 12 | 36 |
10.1002_anie.201303838 | C(c1cc2c(cc1C)CCCC2)(=O)O | 4 | 4 | [0.14862133 0.5304688 0.2471967 0.61796878] | [0.14356618 0.52968752 0.85330888 0.8742188 ] | 1H NMR | 600 MHz | CDCl3 | 7.79 (s, 1 H), 6.96 (s, 1 H), 2.82-2.74 (m, 4 H), 2.57 (s, 3 H), 1.87-1.79 (m, 4 H) | null | [('s', [], '1H', 7.79, 7.79), ('s', [], '1H', 6.96, 6.96), ('m', [], '4H', 2.82, 2.74), ('s', [], '3H', 2.57, 2.57), ('m', [], '4H', 1.87, 1.79)] | 14 | 8 | 13 |
10.1021_acscatal.7b03432 | Fc1c(F)c(F)c(C(O/N=C(\CCC=C)c2ccc(Cl)cc2)=O)c(F)c1F | 2 | 2 | [0.12371957 0.68984376 0.31012739 0.76484379] | [0.32669698 0.68750007 0.88150191 0.77734382] | 1H NMR | 400 MHz | CDCl3 | 7.70 (d, J = 8.6 Hz, 2H), 7.42 (d, J = 8.6 Hz, 2H), 5.78 (ddt, J = 16.9, 10.2, 6.6 Hz, 1H), 5.10-4.94 (m, 2H), 3.06-2.86 (m, 2H), 2.32 (dddt, J = 9.3, 8.0, 6.7, 1.4 Hz, 2H) | null | [('d', ['8.6Hz'], '2H', 7.7, 7.7), ('d', ['8.6Hz'], '2H', 7.42, 7.42), ('ddt', ['16.9Hz', '10.2Hz', '6.6Hz'], '1H', 5.78, 5.78), ('m', [], '2H', 5.1, 4.94), ('m', [], '2H', 3.06, 2.86), ('dddt', ['9.3Hz', '8.0Hz', '6.7Hz', '1.4Hz'], '2H', 2.32, 2.32)] | 11 | 6 | 11 |
10.1021_acscatal.7b03432 | O(/N=C(\CCC=C)c1ccc(OC)cc1)C(=O)C1C(F)=C(F)C(F)=C(F)C=1F | 3 | 3 | [0.1242719 0.11542969 0.32531618 0.18828126] | [0.34022882 0.11289063 0.87929265 0.20195314] | 1H NMR | 400 MHz | CDCl3 | 7.72 (d, J = 8.9 Hz, 2H), 6.94 (d, J = 8.9 Hz, 2H), 5.80 (ddt, J = 16.8, 10.1, 6.6 Hz, 1H), 5.07-4.99 (m, 2H), 3.85 (s, 3H), 2.97-2.94 (m, 2H), 2.36-2.30 (m, 2H) | null | [('d', ['8.9Hz'], '2H', 7.72, 7.72), ('d', ['8.9Hz'], '2H', 6.94, 6.94), ('ddt', ['16.8Hz', '10.1Hz', '6.6Hz'], '1H', 5.8, 5.8), ('m', [], '2H', 5.07, 4.99), ('s', [], '3H', 3.85, 3.85), ('m', [], '2H', 2.97, 2.94), ('m', [], '2H', 2.36, 2.3)] | 14 | 7 | 14 |
10.1021_acscatal.7b03432 | Fc1c(F)c(F)c(C(O/N=C(\CCC=C)c2cc3c(cccc3)cc2)=O)c(F)c1F | 3 | 3 | [0.12399573 0.38046877 0.31730756 0.44921879] | [0.33166786 0.37871097 0.87929265 0.44921879] | 1H NMR | 500 MHz | CDCl3 | 8.20 (s, 1H), 7.94-7.86 (m, 4H), 7.59-7.53 (m, 2H), 5.89-5.81 (m, 1H), 5.10-5.03 (m, 2H), 3.14-3.10 (m, 2H), 2.44-2.39 (m, 2H) | null | [('s', [], '1H', 8.2, 8.2), ('m', [], '4H', 7.94, 7.86), ('m', [], '2H', 7.59, 7.53), ('m', [], '1H', 5.89, 5.81), ('m', [], '2H', 5.1, 5.03), ('m', [], '2H', 3.14, 3.1), ('m', [], '2H', 2.44, 2.39)] | 14 | 11 | 14 |
10.1039_c8ob00731d | CCOC(=O)/C=C(\C)c1ccccc1 | 1 | 1 | [0.42307674 0.3980469 0.572203 0.45351564] | [0.11598709 0.47460941 0.87929265 0.68320318] | 1H NMR | 400 MHz | CDCl3 | 7.51-7.44 (m, 2H), 7.40-7.33 (m, 3H), 6.14 (q, J = 1.4 Hz, 1H), 4.22 (q, J = 7.1 Hz, 2H), 2.59 (d, J = 1.4 Hz, 3H), 1.32 (t, J = 7.1 Hz, 3H) | null | [('m', [], '2H', 7.51, 7.44), ('m', [], '3H', 7.4, 7.33), ('q', ['1.4Hz'], '1H', 6.14, 6.14), ('q', ['7.1Hz'], '2H', 4.22, 4.22), ('d', ['1.4Hz'], '3H', 2.59, 2.59), ('t', ['7.1Hz'], '3H', 1.32, 1.32)] | 14 | 7 | 14 |
10.1039_c8ob00731d | CCOC(=O)/C=C(\C)c1ccccc1 | 1 | 1 | [0.42307674 0.3980469 0.572203 0.45351564] | [0.11598709 0.47460941 0.87929265 0.68320318] | 13C NMR | 101 MHz | CDCl3 | 166.8, 155.4, 142.3, 128.9, 128.5, 126.3, 117.2, 59.8, 17.9, 14.3 | null | [(166.8, None, None), (155.4, None, None), (142.3, None, None), (128.9, None, None), (128.5, None, None), (126.3, None, None), (117.2, None, None), (59.8, None, None), (17.9, None, None), (14.3, None, None)] | 12 | 10 | 10 |
10.1039_c8ob00731d | O(CC)C(=O)/C=C(\C)c1cccc(C)c1 | 2 | 2 | [0.42307674 0.3203125 0.57275534 0.39296876] | [0.11598709 0.41328126 0.88039733 0.66015625] | 1H NMR | 400 MHz | CDCl3 | 7.31-7.23 (m, 3H), 7.19-7.15 (m, 1H), 6.14 (q, J = 1.0 Hz, 1H), 4.23 (q, J = 7.1 Hz, 2H), 2.58 (d, J = 1.0 Hz, 3H), 2.38 (s, 3H), 1.33 (t, J = 7.1 Hz, 3H) | null | [('m', [], '3H', 7.31, 7.23), ('m', [], '1H', 7.19, 7.15), ('q', ['1.0Hz'], '1H', 6.14, 6.14), ('q', ['7.1Hz'], '2H', 4.23, 4.23), ('d', ['1.0Hz'], '3H', 2.58, 2.58), ('s', [], '3H', 2.38, 2.38), ('t', ['7.1Hz'], '3H', 1.33, 1.33)] | 16 | 9 | 16 |
10.1039_c8ob00731d | O(CC)C(=O)/C=C(\C)c1cccc(C)c1 | 2 | 2 | [0.42307674 0.3203125 0.57275534 0.39296876] | [0.11598709 0.41328126 0.88039733 0.66015625] | 13C NMR | 101 MHz | CDCl3 | 166.8, 155.7, 142.3, 138.0, 129.7, 128.4, 127.0, 123.4, 117.0, 59.7, 21.4, 17.9, 14.3 | null | [(166.8, None, None), (155.7, None, None), (142.3, None, None), (138.0, None, None), (129.7, None, None), (128.4, None, None), (127.0, None, None), (123.4, None, None), (117.0, None, None), (59.7, None, None), (21.4, None, None), (17.9, None, None), (14.3, None, None)] | 13 | 13 | 13 |
10.1039_c8ob00731d | CCOC(=O)/C=C(\C)c1ccc(C)cc1 | 2 | 2 | [0.41423964 0.72265632 0.58159242 0.77890631] | [0.11598709 0.80078132 0.88150191 0.89453132] | 1H NMR | 400 MHz | CDCl3 | 7.42-7.36 (m, 2H), 7.21-7.14 (m, 2H), 6.15 (q, J = 1.2 Hz, 1H), 4.23 (q, J = 7.1 Hz, 2H), 2.59 (d, J = 1.2 Hz, 3H), 2.37 (s, 3H), 1.33 (t, J = 7.1 Hz, 3H) | null | [('m', [], '2H', 7.42, 7.36), ('m', [], '2H', 7.21, 7.14), ('q', ['1.2Hz'], '1H', 6.15, 6.15), ('q', ['7.1Hz'], '2H', 4.23, 4.23), ('d', ['1.2Hz'], '3H', 2.59, 2.59), ('s', [], '3H', 2.37, 2.37), ('t', ['7.1Hz'], '3H', 1.33, 1.33)] | 16 | 7 | 16 |
10.1039_c8ob00731d | CCOC(=O)/C=C(\C)c1ccc(C)cc1 | 2 | 2 | [0.41423964 0.72265632 0.58159242 0.77890631] | [0.11598709 0.80078132 0.88150191 0.89453132] | 13C NMR | 101 MHz | CDCl3 | 166.9, 155.3, 139.3, 139.0, 129.2, 126.2, 116.3, 59.7, 21.1, 17.7, 14.4 | null | [(166.9, None, None), (155.3, None, None), (139.3, None, None), (139.0, None, None), (129.2, None, None), (126.2, None, None), (116.3, None, None), (59.7, None, None), (21.1, None, None), (17.7, None, None), (14.4, None, None)] | 13 | 11 | 11 |
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