Filename stringlengths 10 43 | SMILES stringlengths 3 471 | Page_in_file_mol float64 0 489 | Page_in_file_para int64 0 489 | Location_in_page_mol stringlengths 37 45 | Location_in_page_para stringlengths 37 61 | NMR_type stringclasses 11
values | NMR_frequency stringlengths 3 38 | NMR_solvent stringclasses 17
values | NMR_shift_text stringlengths 1 1.36k | NMR_note stringlengths 2 352 ⌀ | NMR_processed stringlengths 17 2.43k | Atom_number int64 1 244 | Atom_number_diff_env int64 1 118 | Atom_number_abstract float64 0.07 244 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10.1002_adsc.201900406 | CCNc1ccc(Cl)cc1 | 4 | 4 | [0.41258267 0.56875001 0.58435402 0.63437506] | [0.14691699 0.64375004 0.84946742 0.78593753] | 1H NMR | 400 MHz | CDCl3 | 7.13 (d, J = 8.4 Hz, 2H), 6.52 (d, J = 8.8 Hz, 2H), 3.6 (brs, 1H), 3.18 (q, J = 7.3 Hz, 2H), 1.25 (t, J = 7.6 Hz, 3H) | null | [('d', ['8.4Hz'], '2H', 7.13, 7.13), ('d', ['8.8Hz'], '2H', 6.52, 6.52), ('brs', [], '1H', 3.6, 3.6), ('q', ['7.3Hz'], '2H', 3.18, 3.18), ('t', ['7.6Hz'], '3H', 1.25, 1.25)] | 10 | 5 | 10 |
10.1002_adsc.201900406 | CCNc1ccc(Br)cc1 | 4 | 5 | [0.41092572 0.83671878 0.58656333 0.90078126] | [0.14802163 0.09042969 0.84946742 0.23183595] | 1H NMR | 400 MHz | CDCl3 | 7.26 (d, J = 8.2 Hz, 2H), 6.44 (d, J = 8.1 Hz, 2H), 3.52 (brs, 1H), 3.13 (q, J = 7.1Hz, 2H), 1.26 (t, J = 7.5 Hz, 3H) | null | [('d', ['8.2Hz'], '2H', 7.26, 7.26), ('d', ['8.1Hz'], '2H', 6.44, 6.44), ('brs', [], '1H', 3.52, 3.52), ('q', ['7.1Hz'], '2H', 3.13, 3.13), ('t', ['7.5Hz'], '3H', 1.26, 1.26)] | 10 | 5 | 10 |
10.1002_adsc.201900406 | CCNc1ccc(C(F)(F)F)cc1 | 5 | 5 | [0.40043165 0.28203126 0.59650509 0.34921877] | [0.14802163 0.35625003 0.84836274 0.51953129] | 1H NMR | 400 MHz | CDCl3 | 7.46 (d, J = 8.6 Hz, 2H), 6.58 (d, J = 8.6 Hz, 2H), 3.31-3.24 (m, 2H), 1.25 (t, J = 7.4 Hz, 3H) | null | [('d', ['8.6Hz'], '2H', 7.46, 7.46), ('d', ['8.6Hz'], '2H', 6.58, 6.58), ('m', [], '2H', 3.31, 3.24), ('t', ['7.4Hz'], '3H', 1.25, 1.25)] | 10 | 5 | 9 |
10.1002_adsc.201900406 | CCNc1ccc(C(OC)=O)cc1 | 5 | 5 | [0.38496669 0.56875001 0.61307467 0.63515626] | [0.1474693 0.64375004 0.84891508 0.80703126] | 1H NMR | 400 MHz | CDCl3 | 7.88-7.84 (m, 2H), 6.58-6.54 (m, 2H), 3.88 (s, 3H), 3.31-3.25 (m, 2H), 1.35 (t, J = 7.6 Hz, 3H) | null | [('m', [], '2H', 7.88, 7.84), ('m', [], '2H', 6.58, 6.54), ('s', [], '3H', 3.88, 3.88), ('m', [], '2H', 3.31, 3.25), ('t', ['7.6Hz'], '3H', 1.35, 1.35)] | 13 | 6 | 12 |
10.1002_adsc.201900406 | CCNc1cccc(C)c1 | 6 | 6 | [0.43191387 0.09584961 0.56226124 0.17011719] | [0.14802163 0.18281251 0.84946742 0.34609376] | 1H NMR | 400 MHz | CDCl3 | 7.11 (t, J = 7.5 Hz, 1H), 6.62 (d, J = 7.2 Hz, 1H), 6.45-6.42 (m, 2H), 3.15 (q, J = 7.4 Hz, 2H), 2.32 (s, 3H), 1.26 (t, J = 7.4 Hz, 3H) | null | [('t', ['7.5Hz'], '1H', 7.11, 7.11), ('d', ['7.2Hz'], '1H', 6.62, 6.62), ('m', [], '2H', 6.45, 6.42), ('q', ['7.4Hz'], '2H', 3.15, 3.15), ('s', [], '3H', 2.32, 2.32), ('t', ['7.4Hz'], '3H', 1.26, 1.26)] | 13 | 8 | 12 |
10.1002_adsc.201900406 | CCNc1cccc(F)c1 | 6 | 6 | [0.43246616 0.39726565 0.56170895 0.47851566] | [0.1474693 0.48906253 0.84946742 0.63046881] | 1H NMR | 400 MHz | CDCl3 | 7.15-7.11 (m, 1H), 6.45-6.31 (m, 3H), 3.72 (brs, 1H), 3.20-3.14 (m, 2H), 1.31 (t, J = 7.2 Hz, 3H) | null | [('m', [], '1H', 7.15, 7.11), ('m', [], '3H', 6.45, 6.31), ('brs', [], '1H', 3.72, 3.72), ('m', [], '2H', 3.2, 3.14), ('t', ['7.2Hz'], '3H', 1.31, 1.31)] | 10 | 7 | 10 |
10.1002_adsc.201900406 | CCNc1cccc(Cl)c1 | 6 | 6 | [0.43191387 0.68203126 0.56226124 0.76328131] | [0.14802163 0.77343757 0.85167668 0.89375004] | 1H NMR | 400 MHz | CDCl3 | 7.12 (t, J = 7.6 Hz, 1H), 6.75 (ddd, J = 7.8, 1.7, 1.1 Hz, 1H), 6.64(t, J = 2.3 Hz, 1H), 6.53 (ddd, J = 8.4, 2.5, 0.9 Hz, 1H), 3.64 (brs, 1H), 3.13 (q, J = 7.5 Hz, 2H), 1.21 (t, J = 7.5 Hz, 3H) | null | [('t', ['7.6Hz'], '1H', 7.12, 7.12), ('ddd', ['7.8Hz', '1.7Hz', '1.1Hz'], '1H', 6.75, 6.75), ('t', ['2.3Hz'], '1H', 6.64, 6.64), ('ddd', ['8.4Hz', '2.5Hz', '0.9Hz'], '1H', 6.53, 6.53), ('brs', [], '1H', 3.64, 3.64), ('q', ['7.5Hz'], '2H', 3.13, 3.13), ('t', ['7.5Hz'], '3H', 1.21, 1.21)] | 10 | 7 | 10 |
10.1002_adsc.201900406 | CCNc1cccc(C(=O)OC)c1 | 7 | 7 | [0.43025691 0.17421876 0.56612752 0.26132815] | [0.1474693 0.26835939 0.84946742 0.43164066] | 1H NMR | 400 MHz | CDCl3 | 7.39 (d, J = 7.6 Hz, 1H), 7.26 (s, 1H), 7.22 (t, J = 7.8 Hz, 1H), 6.81 (dd, J = 8.0, 1.6 Hz, 1H), 3.91 (s, 3H), 3.53 (brs, 1H), 3.21 (q, J = 7.1 Hz, 2H), 1.29 (t, J = 7.1 Hz, 3H) | null | [('d', ['7.6Hz'], '1H', 7.39, 7.39), ('s', [], '1H', 7.26, 7.26), ('t', ['7.8Hz'], '1H', 7.22, 7.22), ('dd', ['8.0Hz', '1.6Hz'], '1H', 6.81, 6.81), ('s', [], '3H', 3.91, 3.91), ('brs', [], '1H', 3.53, 3.53), ('q', ['7.1Hz'], '2H', 3.21, 3.21), ('t', ['7.1Hz'], '3H', 1.29, 1.29)] | 13 | 8 | 13 |
10.1002_adsc.201900406 | CCNc1ccccc1C | 7 | 7 | [0.43191387 0.48671876 0.56226124 0.54218754] | [0.14691699 0.55546878 0.84836274 0.71953128] | 1H NMR | 400 MHz | CDCl3 | 7.15 (t, J = 7.8 Hz, 1H), 7.05 (d, J = 7.2 Hz, 1H), 6.67-6.60 (m, 2H), 3.36 (brs, 1H), 3.21 (q, J = 7.1 Hz, 2H), 2.13 (s, 3H), 1.32 (td, J = 7.2, 0.9 Hz, 3H) | null | [('t', ['7.8Hz'], '1H', 7.15, 7.15), ('d', ['7.2Hz'], '1H', 7.05, 7.05), ('m', [], '2H', 6.67, 6.6), ('brs', [], '1H', 3.36, 3.36), ('q', ['7.1Hz'], '2H', 3.21, 3.21), ('s', [], '3H', 2.13, 2.13), ('td', ['7.2Hz', '0.9Hz'], '3H', 1.32, 1.32)] | 13 | 8 | 13 |
10.1002_adsc.201900406 | CCNc1ccccc1O | 7 | 7 | [0.43191387 0.76953132 0.56447055 0.83359381] | [0.14857395 0.84296879 0.84946742 0.87890632] | 1H NMR | 400 MHz | CDCl3 | 6.85 (td, J = 7.6, 1.6 Hz, 1H), 6.73-6.69 (m, 2H), 6.64 (td, J = 7.5, 1.2 Hz, 1H), 4.43 (brs, 1H), 3.25 (q, J = 7.3 Hz, 2H), 1.25 (t, J = 7.4 Hz, 3H) | null | [('td', ['7.6Hz', '1.6Hz'], '1H', 6.85, 6.85), ('m', [], '2H', 6.73, 6.69), ('td', ['7.5Hz', '1.2Hz'], '1H', 6.64, 6.64), ('brs', [], '1H', 4.43, 4.43), ('q', ['7.3Hz'], '2H', 3.25, 3.25), ('t', ['7.4Hz'], '3H', 1.25, 1.25)] | 11 | 8 | 10 |
10.1002_adsc.201900406 | CCNc1ccccc1Br | 8 | 8 | [0.43191387 0.46484379 0.56226124 0.52578126] | [0.1474693 0.53671877 0.84891508 0.70078131] | 1H NMR | 400 MHz | CDCl3 | 7.45 (dd, J = 7.8, 1.5 Hz, 1H), 7.23-7.19 (m, 1H), 6.67 (dd, J = 8.2, 1.4 Hz, 1H), 6.59 (td, J = 7.6, 1.5 Hz, 1H), 3.23 (q, J = 7.5 Hz, 2H), 1.34 (t, J = 7.2 Hz, 3H) | null | [('dd', ['7.8Hz', '1.5Hz'], '1H', 7.45, 7.45), ('m', [], '1H', 7.23, 7.19), ('dd', ['8.2Hz', '1.4Hz'], '1H', 6.67, 6.67), ('td', ['7.6Hz', '1.5Hz'], '1H', 6.59, 6.59), ('q', ['7.5Hz'], '2H', 3.23, 3.23), ('t', ['7.2Hz'], '3H', 1.34, 1.34)] | 10 | 7 | 9 |
10.1002_adsc.201900406 | CCNc1ccc(Cl)c(Cl)c1 | 9 | 9 | [0.41037338 0.28339844 0.58711562 0.36542969] | [0.1474693 0.37500004 0.84891508 0.53828129] | 1H NMR | 400 MHz | CDCl3 | 7.19 (d, J = 8.0 Hz, 1H), 6.65 (d, J = 7.9 Hz, 1H), 6.42 (t, J = 2.1 Hz, 1H), 3.67 (brs, 1H), 3.12 (q, J = 7.1 Hz, 2H), 1.26 (t, J = 7.2 Hz, 3H) | null | [('d', ['8.0Hz'], '1H', 7.19, 7.19), ('d', ['7.9Hz'], '1H', 6.65, 6.65), ('t', ['2.1Hz'], '1H', 6.42, 6.42), ('brs', [], '1H', 3.67, 3.67), ('q', ['7.1Hz'], '2H', 3.12, 3.12), ('t', ['7.2Hz'], '3H', 1.26, 1.26)] | 9 | 6 | 9 |
10.1002_adsc.201900406 | CCNc1ccc(C)cc1C | 9 | 9 | [0.41921052 0.59296879 0.57717391 0.64921878] | [0.14802163 0.66250001 0.84836274 0.82578131] | 1H NMR | 400 MHz | CDCl3 | 7.01 (d, J = 8.1 Hz, 1H), 6.95 (s, 1H), 6.62 (d, J = 8.1 Hz, 1H), 3.27 (q, J = 7.1 Hz, 2H), 2.31 (s, 3H), 2.18 (s, 3H), 1.38 (t, J = 6.9 Hz, 3H) | null | [('d', ['8.1Hz'], '1H', 7.01, 7.01), ('s', [], '1H', 6.95, 6.95), ('d', ['8.1Hz'], '1H', 6.62, 6.62), ('q', ['7.1Hz'], '2H', 3.27, 3.27), ('s', [], '3H', 2.31, 2.31), ('s', [], '3H', 2.18, 2.18), ('t', ['6.9Hz'], '3H', 1.38, 1.38)] | 15 | 8 | 14 |
10.1002_adsc.201900406 | CCNc1cccc2ccccc12 | 10 | 10 | [0.41921052 0.09477539 0.5777262 0.16894533] | [0.14802163 0.18251955 0.84836274 0.3464844 ] | 1H NMR | 400 MHz | CDCl3 | 7.85-7.80 (m, 2H), 7.49-7.43 (m, 2H), 7.40 (t, J = 7.9 Hz, 1H), 7.24 (m, 1H), 6.63 (d, J = 7.5 Hz, 1H), 3.34 (q, J = 7.1 Hz, 2H), 1.44 (t, J = 7.1 Hz, 3H) | null | [('m', [], '2H', 7.85, 7.8), ('m', [], '2H', 7.49, 7.43), ('t', ['7.9Hz'], '1H', 7.4, 7.4), ('m', [], '1H', 7.24, 7.24), ('d', ['7.5Hz'], '1H', 6.63, 6.63), ('q', ['7.1Hz'], '2H', 3.34, 3.34), ('t', ['7.1Hz'], '3H', 1.44, 1.44)] | 13 | 10 | 12 |
10.1002_adsc.201900406 | CNc1ccccc1 | 10 | 10 | [0.44351255 0.39902346 0.55342416 0.45859377] | [0.14691699 0.46953128 0.84836274 0.61250004] | 1H NMR | 400 MHz | CDCl3 | 7.31 (t, J = 7.6 Hz, 2H), 6.76 (t, J = 7.5 Hz, 1H), 6.68 (m, 2H), 3.72 (brs, 1H), 2.84 (d, J = 7.5 Hz, 3H) | null | [('t', ['7.6Hz'], '2H', 7.31, 7.31), ('t', ['7.5Hz'], '1H', 6.76, 6.76), ('m', [], '2H', 6.68, 6.68), ('brs', [], '1H', 3.72, 3.72), ('d', ['7.5Hz'], '3H', 2.84, 2.84)] | 9 | 5 | 9 |
10.1002_adsc.201900406 | CCCCCNc1ccccc1 | 10 | 10 | [0.38772829 0.66484378 0.60810377 0.72421881] | [0.14857395 0.73593756 0.84891508 0.90000006] | 1H NMR | 400 MHz | CDCl3 | 7.28-7.18 (m, 2H), 6.73-6.68 (m, 1H), 6.66-6.63 (m, 2H), 3.75 (brs, 1H), 3.15 (t, J = 7.2 Hz, 2H), 1.67-1.59 (m, 2H), 1.49-1.35 (m, 4H), 1.01-0.98 (m, 3H) | null | [('m', [], '2H', 7.28, 7.18), ('m', [], '1H', 6.73, 6.68), ('m', [], '2H', 6.66, 6.63), ('brs', [], '1H', 3.75, 3.75), ('t', ['7.2Hz'], '2H', 3.15, 3.15), ('m', [], '2H', 1.67, 1.59), ('m', [], '4H', 1.49, 1.35), ('m', [], '3H', 1.01, 0.98)] | 17 | 9 | 17 |
10.1002_adsc.201900406 | CCCCCCCNc1ccccc1 | 11 | 11 | [0.36784479 0.13652345 0.62853958 0.19472658] | [0.1474693 0.20664063 0.84781045 0.37070315] | 1H NMR | 400 MHz | CDCl3 | 7.27 (t, J = 7.7 Hz, 2H), 6.78 (t, J = 7.3 Hz, 1H), 6.67 (d, J = 8.2 Hz, 2H), 3.17 (t, J = 7.1 Hz, 2H), 1.69-1.66 (m, 2H), 1.41 (m, 8H), 1.04 (t, J = 6.4 Hz, 3H) | null | [('t', ['7.7Hz'], '2H', 7.27, 7.27), ('t', ['7.3Hz'], '1H', 6.78, 6.78), ('d', ['8.2Hz'], '2H', 6.67, 6.67), ('t', ['7.1Hz'], '2H', 3.17, 3.17), ('m', [], '2H', 1.69, 1.66), ('m', [], '8H', 1.41, 1.41), ('t', ['6.4Hz'], '3H', 1.04, 1.04)] | 21 | 11 | 20 |
10.1002_adsc.201900406 | CCCCCCCCCCCNc1ccccc1 | 11 | 11 | [0.31316516 0.42265628 0.6826669 0.48281251] | [0.1474693 0.49375002 0.84836274 0.65703128] | 1H NMR | 400 MHz | CDCl3 | 7.26-7.20 (m, 2H), 6.76 (t, J = 7.5 Hz, 1H), 6.71 (m, 2H), 3.73 (brs, 1H), 3.14 (t, J = 7.4 Hz, 2H), 1.47-1.34 (m, 18H), 0.97 (t, J = 7.2 Hz, 3H) | null | [('m', [], '2H', 7.26, 7.2), ('t', ['7.5Hz'], '1H', 6.76, 6.76), ('m', [], '2H', 6.71, 6.71), ('brs', [], '1H', 3.73, 3.73), ('t', ['7.4Hz'], '2H', 3.14, 3.14), ('m', [], '18H', 1.47, 1.34), ('t', ['7.2Hz'], '3H', 0.97, 0.97)] | 29 | 15 | 29 |
10.1002_adsc.201900406 | CC(C)CNc1ccccc1 | 11 | 11 | [0.41644892 0.70664068 0.5799355 0.77226565] | [0.14691699 0.78203128 0.84836274 0.90234382] | 1H NMR | 400 MHz | CDCl3 | 7.22 (tt, J = 7.3, 1.4 Hz, 2H), 6.74 (tq, J = 7.6, 1.2 Hz, 1H), 6.65 (dq, J = 7.8, 1.1 Hz, 2H), 3.72 (s, 1H), 2.95 (dd, J = 6.6, 1.2 Hz, 2H), 1.93 (dtd, J = 13.2, 6.4, 1.2 Hz, 1H), 1.03 (dd, J = 6.5, 1.3 Hz, 6H) | null | [('tt', ['7.3Hz', '1.4Hz'], '2H', 7.22, 7.22), ('tq', ['7.6Hz', '1.2Hz'], '1H', 6.74, 6.74), ('dq', ['7.8Hz', '1.1Hz'], '2H', 6.65, 6.65), ('s', [], '1H', 3.72, 3.72), ('dd', ['6.6Hz', '1.2Hz'], '2H', 2.95, 2.95), ('dtd', ['13.2Hz', '6.4Hz', '1.2Hz'], '1H', 1.93, 1.93), ('dd', ['6.5Hz', '1.3Hz'], '6H', 1.03, 1.03)] | 15 | 7 | 15 |
10.1002_adsc.201900406 | c1ccc(NCC2CCCCC2)cc1 | 12 | 12 | [0.41037338 0.18085938 0.58656333 0.25429689] | [0.14802163 0.26796876 0.84946742 0.43203126] | 1H NMR | 400 MHz | CDCl3 | 7.23-7.15 (m, 2H), 6.70 (t, J = 7.3 Hz, 1H), 6.62 (dd, J = 8.5, 0.9 Hz, 2H), 3.72 (s, 1H), 2.98 (d, J = 6.7 Hz, 2H), 1.91-1.67 (m, 5H), 1.67-1.53 (m,1H), 1.37-1.13 (m, 3H), 1.09-0.92 (m, 2H) | null | [('m', [], '2H', 7.23, 7.15), ('t', ['7.3Hz'], '1H', 6.7, 6.7), ('dd', ['8.5Hz', '0.9Hz'], '2H', 6.62, 6.62), ('s', [], '1H', 3.72, 3.72), ('d', ['6.7Hz'], '2H', 2.98, 2.98), ('m', [], '5H', 1.91, 1.67), ('m', [], '1H', 1.67, 1.53), ('m', [], '3H', 1.37, 1.13), ('m', [], '2H', 1.09, 0.92)] | 19 | 9 | 19 |
10.1002_adsc.201900406 | CCCCNc1ccc(C(=O)OC)cc1 | 12 | 12 | [0.35790303 0.48242191 0.63682437 0.56445316] | [0.14691699 0.5730469 0.84836274 0.73789068] | 1H NMR | 400 MHz | CDCl3 | 7.86 (d, J = 8.2 Hz, 2H), 6.46 (d, J = 8.7 Hz, 2H), 4.26 (brs, 1H), 3.69 (s, 3H), 3.22-3.14 (m, 2H), 1.67-1.62 (m, 2H), 1.47-1.41 (m, 2H), 0.98 (t, J = 7.5 Hz, 3H) | null | [('d', ['8.2Hz'], '2H', 7.86, 7.86), ('d', ['8.7Hz'], '2H', 6.46, 6.46), ('brs', [], '1H', 4.26, 4.26), ('s', [], '3H', 3.69, 3.69), ('m', [], '2H', 3.22, 3.14), ('m', [], '2H', 1.67, 1.62), ('m', [], '2H', 1.47, 1.41), ('t', ['7.5Hz'], '3H', 0.98, 0.98)] | 17 | 8 | 17 |
10.1002_adsc.201900406 | O(CCNc1ccccc1)Cc1ccccc1 | 12 | 12 | [0.41037338 0.79296882 0.58601099 0.84609376] | [0.14802163 0.86093756 0.84725811 0.89531253] | 1H NMR | 400 MHz | CDCl3 | 7.42-7.25 (m, 5H), 7.23-7.16 (m, 2H), 6.80-6.65 (m, 3H), 4.58 (s, 2H), 4.13 (br s, 1H), 3.69(t, J = 5.6 Hz, 2H), 3.34-3.28 (m, 2H) | null | [('m', [], '5H', 7.42, 7.25), ('m', [], '2H', 7.23, 7.16), ('m', [], '3H', 6.8, 6.65), ('s', [], '2H', 4.58, 4.58), ('brs', [], '1H', 4.13, 4.13), ('t', ['5.6Hz'], '2H', 3.69, 3.69), ('m', [], '2H', 3.34, 3.28)] | 17 | 10 | 17 |
10.1002_adsc.201900406 | COC(=O)CCCCNc1ccccc1 | 13 | 13 | [0.37005408 0.26640626 0.62467335 0.3203125 ] | [0.14802163 0.33476565 0.84946742 0.49882815] | 1H NMR | 400 MHz | CDCl3 | 7.23 (t, J = 7.9 Hz, 2H), 6.73 (t, J = 7.5 Hz, 1H), 6.52 (d, J = 7.3 Hz, 2H), 3.72 (s, 3H), 3.61 (br s, 1H), 3.16 (t, J = 6.6 Hz, 2H), 2.41 (t, J = 7.5 Hz, 2H), 1.85-1.62 (m, 4H) | null | [('t', ['7.9Hz'], '2H', 7.23, 7.23), ('t', ['7.5Hz'], '1H', 6.73, 6.73), ('d', ['7.3Hz'], '2H', 6.52, 6.52), ('s', [], '3H', 3.72, 3.72), ('brs', [], '1H', 3.61, 3.61), ('t', ['6.6Hz'], '2H', 3.16, 3.16), ('t', ['7.5Hz'], '2H', 2.41, 2.41), ('m', [], '4H', 1.85, 1.62)] | 17 | 9 | 17 |
10.1002_adsc.201900406 | c1ccc(CCNc2ccccc2)cc1 | 13 | 13 | [0.39877468 0.55390629 0.59705738 0.60703127] | [0.1474693 0.62187503 0.85057205 0.78593753] | 1H NMR | 400 MHz | CDCl3 | 7.35-7.31 (m, 2H), 7.27-7.18 (m, 5H), 6.74-6.69 (m, 1H), 6.74-6.62 (m, 2H), 3.44 (t, J = 7.2 Hz, 2H), 2.95 (t, J = 7.6 Hz, 2H) | null | [('m', [], '2H', 7.35, 7.31), ('m', [], '5H', 7.27, 7.18), ('m', [], '1H', 6.74, 6.69), ('m', [], '2H', 6.74, 6.62), ('t', ['7.2Hz'], '2H', 3.44, 3.44), ('t', ['7.6Hz'], '2H', 2.95, 2.95)] | 15 | 9 | 14 |
10.1002_adsc.201900406 | Fc1ccc(CNc2ccccc2)cc1 | 14 | 14 | [0.38993757 0.6328125 0.60423754 0.71250006] | [0.1474693 0.72304689 0.84836274 0.88593754] | 1H NMR | 400 MHz | CDCl3 | 7.35-7.25 (m, 2H), 7.19-7.11 (m, 2H), 7.07-6.92 (m, 2H), 6.75-6.67 (m, 1H), 6.63-6.56 (m, 2H), 4.27 (s, 2H), 3.98 (s, 1H) | null | [('m', [], '2H', 7.35, 7.25), ('m', [], '2H', 7.19, 7.11), ('m', [], '2H', 7.07, 6.92), ('m', [], '1H', 6.75, 6.67), ('m', [], '2H', 6.63, 6.56), ('s', [], '2H', 4.27, 4.27), ('s', [], '1H', 3.98, 3.98)] | 12 | 7 | 12 |
10.1002_adsc.201900406 | c1ccc(NCc2cccs2)cc1 | 15 | 15 | [0.41092572 0.74218757 0.58656333 0.81093751] | [0.1474693 0.81875001 0.85112439 0.89687501] | 1H NMR | 400 MHz | CDCl3 | 7.32-7.24 (m, 3H), 7.12-7.06 (dd, J = 5.7, 3.8 Hz, 2H), 6.85 (m, 1H), 6.75 (m, 2H), 4.55 (s, 2H), 4.14 (br s, 1H) | null | [('m', [], '3H', 7.32, 7.24), ('dd', ['5.7Hz', '3.8Hz'], '2H', 7.12, 7.06), ('m', [], '1H', 6.85, 6.85), ('m', [], '2H', 6.75, 6.75), ('s', [], '2H', 4.55, 4.55), ('brs', [], '1H', 4.14, 4.14)] | 11 | 8 | 11 |
10.1002_adsc.201900406 | Cc1cc(C)cc(NCc2ccccc2)c1 | 16 | 16 | [0.40043165 0.52773439 0.59484812 0.62304688] | [0.14802163 0.63515626 0.85057205 0.77734382] | 1H NMR | 400 MHz | CDCl3 | 7.39-7.23 (m, 5H), 6.38 (s, 1H), 6.28 (s, 2H), 4.29 (s, 2H), 3.87 (s, 1H), 2.22 (s, 6H) | null | [('m', [], '5H', 7.39, 7.23), ('s', [], '1H', 6.38, 6.38), ('s', [], '2H', 6.28, 6.28), ('s', [], '2H', 4.29, 4.29), ('s', [], '1H', 3.87, 3.87), ('s', [], '6H', 2.22, 2.22)] | 17 | 8 | 17 |
10.1002_adsc.201900406 | CCN(C)c1ccccc1 | 16 | 17 | [0.42583834 0.82500003 0.56778444 0.89375004] | [0.1474693 0.0900879 0.85001971 0.23183595] | 1H NMR | 400 MHz | CDCl3 | 7.25 (m, 2H), 6.78-6.73 (m, 3H), 3.48 (q, J = 7.5 Hz, 2H), 2.93 (s, 3H), 1.14 (t, J = 7.4 Hz, 3H) | null | [('m', [], '2H', 7.25, 7.25), ('m', [], '3H', 6.78, 6.73), ('q', ['7.5Hz'], '2H', 3.48, 3.48), ('s', [], '3H', 2.93, 2.93), ('t', ['7.4Hz'], '3H', 1.14, 1.14)] | 13 | 6 | 13 |
10.1002_adsc.201900406 | CCN(C)c1ccc(C(OC)=O)cc1 | 18 | 18 | [0.38772829 0.3994141 0.60976074 0.47578129] | [0.14802163 0.48906253 0.84836274 0.56718753] | 1H NMR | 400 MHz | CDCl3 | 7.88 (d, J = 7.9 Hz,2H), 6.52 (d, J = 7.4 Hz, 2H), 3.86 (s, 3H), 3.25 (m, 2H), 2.95 (s, 3H), 1.24 (t, J = 7.2 Hz, 3H) | null | [('d', ['7.9Hz'], '2H', 7.88, 7.88), ('d', ['7.4Hz'], '2H', 6.52, 6.52), ('s', [], '3H', 3.86, 3.86), ('m', [], '2H', 3.25, 3.25), ('s', [], '3H', 2.95, 2.95), ('t', ['7.2Hz'], '3H', 1.24, 1.24)] | 15 | 6 | 15 |
10.1002_adsc.201900406 | CCN(C)c1ccc(C)c(C)c1 | 19 | 19 | [0.41423964 0.09511719 0.58159242 0.18710938] | [0.1474693 0.20117189 0.84836274 0.36484377] | 1H NMR | 400 MHz | CDCl3 | 6.96 (d, J = 8.6 Hz, 1H), 6.57-6.46 (m, 2H), 3.39 (q, J = 7.3 Hz, 2H), 2.85 (s, 3H), 2.25 (d, J = 24.9 Hz, 6H), 1.14 (t, J = 7.3 Hz, 3H) | null | [('d', ['8.6Hz'], '1H', 6.96, 6.96), ('m', [], '2H', 6.57, 6.46), ('q', ['7.3Hz'], '2H', 3.39, 3.39), ('s', [], '3H', 2.85, 2.85), ('d', ['24.9Hz'], '6H', 2.25, 2.25), ('t', ['7.3Hz'], '3H', 1.14, 1.14)] | 17 | 8 | 17 |
10.1002_adsc.201900406 | CN(Cc1ccccc1)c1ccccc1 | 19 | 19 | [0.39877468 0.41601566 0.59650509 0.49648439] | [0.1474693 0.50781254 0.84836274 0.65000006] | 1H NMR | 400 MHz | CDCl3 | 7.36-7.26 (m, 7H), 6.83-6.76 (m, 3H), 4.55 (s, 2H), 3.09 (s, 3H) | null | [('m', [], '7H', 7.36, 7.26), ('m', [], '3H', 6.83, 6.76), ('s', [], '2H', 4.55, 4.55), ('s', [], '3H', 3.09, 3.09)] | 15 | 8 | 15 |
10.1002_adsc.201900406 | Cc1ccc(CN(C)c2ccccc2)cc1 | 19 | 19 | [0.38662366 0.70000003 0.60976074 0.78125007] | [0.14802163 0.79140626 0.84836274 0.91328129] | 1H NMR | 400 MHz | CDCl3 | 7.36-7.27 (m, 2H), 7.23 (s, 4H), 6.83 (m, 3H), 4.56 (s, 2H), 3.11 (s, 3H), 2.45 (s, 3H) | null | [('m', [], '2H', 7.36, 7.27), ('s', [], '4H', 7.23, 7.23), ('m', [], '3H', 6.83, 6.83), ('s', [], '2H', 4.56, 4.56), ('s', [], '3H', 3.11, 3.11), ('s', [], '3H', 2.45, 2.45)] | 17 | 8 | 17 |
10.1002_adsc.201900406 | CN(Cc1ccc(F)cc1)c1ccccc1 | 20 | 20 | [0.38607135 0.17626955 0.60865611 0.25976564] | [0.1474693 0.26875001 0.84946742 0.43203126] | 1H NMR | 400 MHz | CDCl3 | 7.35-7.24 (m, 4H), 7.21-7.18 (m, 2H), 6.72 (m, 3H), 4.56 (d, J = 1.1 Hz, 2H), 3.08 (s, 3H) | null | [('m', [], '4H', 7.35, 7.24), ('m', [], '2H', 7.21, 7.18), ('m', [], '3H', 6.72, 6.72), ('d', ['1.1Hz'], '2H', 4.56, 4.56), ('s', [], '3H', 3.08, 3.08)] | 14 | 7 | 14 |
10.1002_adsc.201900406 | CN(Cc1ccc(Cl)cc1)c1ccccc1 | 20 | 20 | [0.38441438 0.48007815 0.60976074 0.56679689] | [0.1474693 0.57343754 0.84781045 0.73750004] | 1H NMR | 400 MHz | CDCl3 | 7.37 (d, J = 8.5Hz, 2H), 7.33-7.26 (m, 2H), 7.15 (d, J = 8.4Hz, 2H), 6.84-6.81 (m, 3H), 4.55 (s, 2H), 3.11 (s, 3H) | null | [('d', ['8.5Hz'], '2H', 7.37, 7.37), ('m', [], '2H', 7.33, 7.26), ('d', ['8.4Hz'], '2H', 7.15, 7.15), ('m', [], '3H', 6.84, 6.81), ('s', [], '2H', 4.55, 4.55), ('s', [], '3H', 3.11, 3.11)] | 14 | 7 | 14 |
10.1002_adsc.201900406 | COc1cccc(CN(C)c2ccccc2)c1 | 20 | 21 | [0.39490845 0.78671881 0.60037132 0.89140628] | [0.14802163 0.08984376 0.84836274 0.25410157] | 1H NMR | 400 MHz | CDCl3 | 7.39-7.31 (m, 3H), 6.99-6.85 (m, 6H), 4.64 (s, 2H), 3.86 (s, 3H), 3.15 (s, 3H) | null | [('m', [], '3H', 7.39, 7.31), ('m', [], '6H', 6.99, 6.85), ('s', [], '2H', 4.64, 4.64), ('s', [], '3H', 3.86, 3.86), ('s', [], '3H', 3.15, 3.15)] | 17 | 10 | 17 |
10.1002_adsc.201900406 | CN(CCCc1ccccc1)c1ccccc1 | 21 | 21 | [0.36950176 0.30410158 0.62633032 0.38613283] | [0.14691699 0.39628909 0.84781045 0.56015627] | 1H NMR | 400 MHz | CDCl3 | 7.27-7.24 (m, 2H), 7.21-7.17 (m, 5H), 6.64-6.61 (m, 3H), 3.35 (t, J = 7.7 Hz, 2H), 2.92 (s, 3H), 2.68 (t, J = 7.2 Hz, 2H), 1.92 (q, J = 7.3 Hz, 2H) | null | [('m', [], '2H', 7.27, 7.24), ('m', [], '5H', 7.21, 7.17), ('m', [], '3H', 6.64, 6.61), ('t', ['7.7Hz'], '2H', 3.35, 3.35), ('s', [], '3H', 2.92, 2.92), ('t', ['7.2Hz'], '2H', 2.68, 2.68), ('q', ['7.3Hz'], '2H', 1.92, 1.92)] | 19 | 10 | 19 |
10.1002_adsc.201900406 | c1ccc(CN2CCc3ccccc32)cc1 | 21 | 21 | [0.39877468 0.61015628 0.59650509 0.71015629] | [0.14691699 0.71992192 0.84836274 0.90468751] | 1H NMR | 400 MHz | CDCl3 | 7.35-7.30 (m, 4H), 7.28-7.25 (m, 1H), 7.11 (d, J = 7.5 Hz, 1H), 7.03 (dd, J = 7.4, 7.8 Hz ,1H), 6.68 (dd, J = 7.1, 7.6 Hz, 1H), 6.55 (d, J = 7.4 Hz, 1H), 4.26 (2H, s), 3.33 (t, J = 8.5 Hz, 2H), 2.94 (t, J = 8.2 Hz, 2H) | null | [('m', [], '4H', 7.35, 7.3), ('m', [], '1H', 7.28, 7.25), ('d', ['7.5Hz'], '1H', 7.11, 7.11), ('dd', ['7.4Hz', '7.8Hz'], '1H', 7.03, 7.03), ('dd', ['7.1Hz', '7.6Hz'], '1H', 6.68, 6.68), ('d', ['7.4Hz'], '1H', 6.55, 6.55), ('s', [], '2H', 4.26, 4.26), ('t', ['8.5Hz'], '2H', 3.33, 3.33), ('t', ['8.2Hz'], '2H', 2.94, 2.94... | 15 | 10 | 15 |
10.1002_adsc.201900406 | CN1CCCc2ccccc21 | 22 | 22 | [0.44627415 0.13457032 0.55121485 0.1966797 ] | [0.14691699 0.20703127 0.84725811 0.37031251] | 1H NMR | 400 MHz | CDCl3 | 7.34-7.15(m, 1H), 7.08-7.04 (m, 1H), 6.73-6.67 (m, 2H), 3.29 (t, J = 5.8 Hz, 2H), 2.95 (s, 3H), 2.84 (t, J = 6.2 Hz, 2H), 2.09 (m, 2H) | null | [('m', [], '1H', 7.34, 7.15), ('m', [], '1H', 7.08, 7.04), ('m', [], '2H', 6.73, 6.67), ('t', ['5.8Hz'], '2H', 3.29, 3.29), ('s', [], '3H', 2.95, 2.95), ('t', ['6.2Hz'], '2H', 2.84, 2.84), ('m', [], '2H', 2.09, 2.09)] | 13 | 8 | 13 |
10.1002_adsc.201900406 | CCN1CCCc2ccccc21 | 22 | 22 | [0.44572186 0.42421876 0.55176719 0.49921879] | [0.14802163 0.51171879 0.84781045 0.69843754] | 1H NMR | 400 MHz | CDCl3 | 7.27-7.24 (m, 1H), 7.16-7.12 (m, 1H), 6.85-6.77 (m, 2H), 3.55 (q, J = 7.3 Hz, 2H), 3.43 (q, J = 5.6 Hz, 2H), 2.94 (t, J = 6.5 Hz, 2H), 2.01-1.93 (m, 2H), 1.15 (t, J = 7.2 Hz, 3H) | null | [('m', [], '1H', 7.27, 7.24), ('m', [], '1H', 7.16, 7.12), ('m', [], '2H', 6.85, 6.77), ('q', ['7.3Hz'], '2H', 3.55, 3.55), ('q', ['5.6Hz'], '2H', 3.43, 3.43), ('t', ['6.5Hz'], '2H', 2.94, 2.94), ('m', [], '2H', 2.01, 1.93), ('t', ['7.2Hz'], '3H', 1.15, 1.15)] | 15 | 9 | 15 |
10.1002_adsc.201900406 | C1CCNC1 | 22 | 22 | [0.46947156 0.75312504 0.52691281 0.80781254] | [0.14912627 0.82109378 0.84836274 0.87734376] | 1H NMR | 400 MHz | CDCl3 | 2.85-2.82 (m, 4H), 2.25 (s, 1H), 1.69-1.62 (m, 4H) | null | [('m', [], '4H', 2.85, 2.82), ('s', [], '1H', 2.25, 2.25), ('m', [], '4H', 1.69, 1.62)] | 9 | 3 | 9 |
10.1002_adsc.201900406 | c1ccc(N2CCCC2)cc1 | 23 | 23 | [0.46781464 0.11210938 0.52746515 0.21367189] | [0.14857395 0.22246095 0.84946742 0.30058595] | 1H NMR | 400 MHz | CDCl3 | 7.62-7.39 (m, 2H), 6.86 (t, J = 7.6 Hz, 1H), 6.74 (d, J = 8.2 Hz, 2H), 3.48 (t, J = 6.6 Hz, 4H), 2.18-2.15 (m, 4H) | null | [('m', [], '2H', 7.62, 7.39), ('t', ['7.6Hz'], '1H', 6.86, 6.86), ('d', ['8.2Hz'], '2H', 6.74, 6.74), ('t', ['6.6Hz'], '4H', 3.48, 3.48), ('m', [], '4H', 2.18, 2.15)] | 13 | 5 | 13 |
10.1002_adsc.201900406 | c1ccc2c(c1)CCN2 | 23 | 23 | [0.44185558 0.53515629 0.55342416 0.59296879] | [0.14802163 0.60546879 0.84836274 0.70234379] | 1H NMR | 400 MHz | CDCl3 | 7.28 (dd, J = 7.2, 1.5 Hz, 1H), 7.18 (td, J = 7.8, 1.5 Hz, 1H), 6.89 (td, J = 7.6, 1.2 Hz, 1H), 6.74 (d, J = 7.2 Hz, 1H), 3.74 (m, 1H), 3.66 (t, J = 8.3 Hz, 2H), 3.14 (t, J = 8.8 Hz, 2H) | null | [('dd', ['7.2Hz', '1.5Hz'], '1H', 7.28, 7.28), ('td', ['7.8Hz', '1.5Hz'], '1H', 7.18, 7.18), ('td', ['7.6Hz', '1.2Hz'], '1H', 6.89, 6.89), ('d', ['7.2Hz'], '1H', 6.74, 6.74), ('m', [], '1H', 3.74, 3.74), ('t', ['8.3Hz'], '2H', 3.66, 3.66), ('t', ['8.8Hz'], '2H', 3.14, 3.14)] | 9 | 7 | 9 |
10.1002_adsc.201900406 | c1ccc2c(c1)CCCN2 | 23 | 23 | [0.44351255 0.75781257 0.55287182 0.81562504] | [0.1474693 0.82812507 0.84781045 0.90625007] | 1H NMR | 400 MHz | CDCl3 | 7.05-6.96 (m, 2H), 6.65 (td, J = 7.3, 1.2 Hz, 1H), 6.55 (d, J = 7.2 Hz, 1H), 3.81 (brs, 1H), 3.33 (t, J = 5.4 Hz, 2H), 2.88 (t, J = 6.5 Hz, 2H), 2.05-1.99 (m, 2H) | null | [('m', [], '2H', 7.05, 6.96), ('td', ['7.3Hz', '1.2Hz'], '1H', 6.65, 6.65), ('d', ['7.2Hz'], '1H', 6.55, 6.55), ('brs', [], '1H', 3.81, 3.81), ('t', ['5.4Hz'], '2H', 3.33, 3.33), ('t', ['6.5Hz'], '2H', 2.88, 2.88), ('m', [], '2H', 2.05, 1.99)] | 11 | 8 | 11 |
10.1002_adsc.201900406 | c1ccc2c(c1)NCCN2 | 24 | 24 | [0.44793112 0.13750001 0.54845325 0.20976564] | [0.14857395 0.22500001 0.84781045 0.28203126] | 1H NMR | 400 MHz | CDCl3 | 6.64-6.59 (m, 2H), 6.55-6.52 (m, 2H), 3.65 (brs, 2H), 3.48 (s, 4H) | null | [('m', [], '2H', 6.64, 6.59), ('m', [], '2H', 6.55, 6.52), ('brs', [], '2H', 3.65, 3.65), ('s', [], '4H', 3.48, 3.48)] | 10 | 4 | 10 |
10.1002_adsc.201900406 | CC1CNc2ccccc2N1 | 24 | 24 | [0.43909399 0.33750002 0.55839501 0.40859376] | [0.1474693 0.4246094 0.84781045 0.5027344 ] | 1H NMR | 400 MHz | CDCl3 | 6.62-6.48 (m, 4H), 4.03 (s, 2H), 3.56-3.31 (m, 2H), 3.02-3.00 (m, 1H), 1.17 (dd, J = 17.5, 6.3 Hz, 3H) | null | [('m', [], '4H', 6.62, 6.48), ('s', [], '2H', 4.03, 4.03), ('m', [], '2H', 3.56, 3.31), ('m', [], '1H', 3.02, 3.0), ('dd', ['17.5Hz', '6.3Hz'], '3H', 1.17, 1.17)] | 12 | 9 | 12 |
10.1002_adsc.201900406 | c1ccc(CC2CNc3ccccc3N2)cc1 | 24 | 24 | [0.39822237 0.55781254 0.59705738 0.62968753] | [0.14857395 0.64453125 0.84781045 0.74375006] | 1H NMR | 400 MHz | CDCl3 | 7.37-7.22 (m, 5H), 6.56-6.38 (m, 4H), 3.57-3.54 (m, 1H), 3.35 (dd, J = 10.4, 2.5 Hz, 1H), 3.17 (dd, J = 10.3, 7.4 Hz, 1H), 2.82-2.76 (m, 1H), 2.65-2.61 (m, 1H) | null | [('m', [], '5H', 7.37, 7.22), ('m', [], '4H', 6.56, 6.38), ('m', [], '1H', 3.57, 3.54), ('dd', ['10.4Hz', '2.5Hz'], '1H', 3.35, 3.35), ('dd', ['10.3Hz', '7.4Hz'], '1H', 3.17, 3.17), ('m', [], '1H', 2.82, 2.76), ('m', [], '1H', 2.65, 2.61)] | 16 | 12 | 14 |
10.1002_adsc.201900406 | c1ccc(C2CNc3ccccc3N2)cc1 | 24 | 25 | [0.40816413 0.79492195 0.58766796 0.87656256] | [0.14802163 0.08989258 0.84891508 0.20859375] | 1H NMR | 400 MHz | CDCl3 | 7.42-7.28 (m, 5H), 6.66-6.58 (m, 4H), 4.49 (dd, J = 8.4, 3.3 Hz, 1H), 3.44 (dd, J = 11.2, 3.5 Hz, 1H), 3.32 (dd, J = 11.4, 8.5 Hz, 1H) | null | [('m', [], '5H', 7.42, 7.28), ('m', [], '4H', 6.66, 6.58), ('dd', ['8.4Hz', '3.3Hz'], '1H', 4.49, 4.49), ('dd', ['11.2Hz', '3.5Hz'], '1H', 3.44, 3.44), ('dd', ['11.4Hz', '8.5Hz'], '1H', 3.32, 3.32)] | 14 | 11 | 12 |
10.1002_adsc.201900406 | COc1ccc(C2CNc3ccccc3N2)cc1 | 25 | 25 | [0.38386206 0.26718752 0.61031308 0.35742191] | [0.14857395 0.37167971 0.84836274 0.47031252] | 1H NMR | 400 MHz | CDCl3 | 7.35-7.23 (m, 2H), 6.94-6.83 (m, 2H), 6.66-6.57 (m, 4H), 4.45 (ddd, J = 11.8, 8.6, 3.3 Hz, 1H), 3.85 (s, 3H), 3.46-3.34 (m, 1H), 3.35-3.28 (m, 1H) | null | [('m', [], '2H', 7.35, 7.23), ('m', [], '2H', 6.94, 6.83), ('m', [], '4H', 6.66, 6.57), ('ddd', ['11.8Hz', '8.6Hz', '3.3Hz'], '1H', 4.45, 4.45), ('s', [], '3H', 3.85, 3.85), ('m', [], '1H', 3.46, 3.34), ('m', [], '1H', 3.35, 3.28)] | 16 | 11 | 14 |
10.1002_adsc.201900406 | Clc1ccc(C2CNc3ccccc3N2)cc1 | 25 | 25 | [0.39877468 0.52109377 0.59650509 0.60625003] | [0.14802163 0.61328125 0.84946742 0.71015629] | 1H NMR | 400 MHz | CDCl3 | 7.36-7.28 (m, 4H), 6.68-6.53 (m, 4H), 4.45 (dd, J = 8.2, 3.4 Hz, 1H), 3.85 (br s, 2H), 3.46 (dd, J = 11.5, 3.2 Hz, 1H), 3.29 (dd, J = 11.4, 8.2 Hz, 1H) | null | [('m', [], '4H', 7.36, 7.28), ('m', [], '4H', 6.68, 6.53), ('dd', ['8.2Hz', '3.4Hz'], '1H', 4.45, 4.45), ('brs', [], '2H', 3.85, 3.85), ('dd', ['11.5Hz', '3.2Hz'], '1H', 3.46, 3.46), ('dd', ['11.4Hz', '8.2Hz'], '1H', 3.29, 3.29)] | 13 | 10 | 13 |
10.1002_adsc.201900406 | FC(F)(F)c1ccc(C2CNc3ccccc3N2)cc1 | 25 | 25 | [0.38386206 0.7683594 0.61031308 0.85937507] | [0.1474693 0.87500007 0.84725811 0.90937504] | 1H NMR | 400 MHz | CDCl3 | 7.45-7.16 (m, 4H), 6.65-6.55 (m, 4H), 4.75 (dd, J = 7.4, 3.2 Hz, 1H), 3.82 (d, J = 8.5 Hz, 2H), 3.45 (dd, J = 11.3, 3.2 Hz, 1H), 3.25 (dd, J = 11.3, 7.4 Hz, 1H) | null | [('m', [], '4H', 7.45, 7.16), ('m', [], '4H', 6.65, 6.55), ('dd', ['7.4Hz', '3.2Hz'], '1H', 4.75, 4.75), ('d', ['8.5Hz'], '2H', 3.82, 3.82), ('dd', ['11.3Hz', '3.2Hz'], '1H', 3.45, 3.45), ('dd', ['11.3Hz', '7.4Hz'], '1H', 3.25, 3.25)] | 13 | 10 | 13 |
10.1002_adsc.201900406 | CC1CCNc2ccccc2N1 | 26 | 26 | [0.44240792 0.19882813 0.55342416 0.27421876] | [0.14912627 0.28710939 0.84836274 0.36445313] | 1H NMR | 400 MHz | CDCl3 | 6.76-6.69 (m, 2H), 6.44-6.37 (m, 2H), 3.51-3.45 (m, 1H), 3.31-3.27 (m, 1H), 3.04-2.99 (m, 1H), 1.84-1.79 (m,1H), 1.64-1.58 (m,1H), 1.18 (d, J = 3.5 Hz, 3H) | null | [('m', [], '2H', 6.76, 6.69), ('m', [], '2H', 6.44, 6.37), ('m', [], '1H', 3.51, 3.45), ('m', [], '1H', 3.31, 3.27), ('m', [], '1H', 3.04, 2.99), ('m', [], '1H', 1.84, 1.79), ('m', [], '1H', 1.64, 1.58), ('d', ['3.5Hz'], '3H', 1.18, 1.18)] | 14 | 10 | 12 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccccc12 | 2 | 2 | [0.42614891 0.11972657 0.57072613 0.20664063] | [0.11525736 0.23320314 0.88363977 0.40664064] | 1H NMR | 300 MHz | DMSO-d6 | 8.69-8.55 (m, 3H), 8.31 (m, 1H), 7.89 (m, 1H), 7.79-7.73 (m, 3H), 4.15 (s, 3H) | null | [('m', [], '3H', 8.69, 8.55), ('m', [], '1H', 8.31, 8.31), ('m', [], '1H', 7.89, 7.89), ('m', [], '3H', 7.79, 7.73), ('s', [], '3H', 4.15, 4.15)] | 11 | 9 | 11 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccccc12 | 2 | 2 | [0.42614891 0.11972657 0.57072613 0.20664063] | [0.11525736 0.23320314 0.88363977 0.40664064] | 13C NMR | 75 MHz | DMSO-d6 | 166.4, 150.4, 142.6, 133.4, 131.2, 131.0, 129.1, 128.7, 127.8, 127.4, 124.9, 123.6, 122.2, 122.0, 53.2 | null | [(166.4, None, None), (150.4, None, None), (142.6, None, None), (133.4, None, None), (131.2, None, None), (131.0, None, None), (129.1, None, None), (128.7, None, None), (127.8, None, None), (127.4, None, None), (124.9, None, None), (123.6, None, None), (122.2, None, None), (122.0, None, None), (53.2, None, None)] | 15 | 15 | 15 |
10.1039_c9gc01557d | COC(=O)c1nc2ccc(C)cc2c2ccccc12 | 2 | 2 | [0.4049173 0.46875004 0.59296876 0.55625002] | [0.11475184 0.58125005 0.88363977 0.78125008] | 1H NMR | 300 MHz | DMSO-d6 | 8.63 (m, 2H), 8.35 (s, 1H), 8.18 (d, J = 8.4 Hz, 1H), 7.89-7.81 (m, 1H), 7.73-7.68 (m, 1H), 7.60 (m, 1H), 4.14 (s, 3H), 2.64 (s, 3H) | null | [('m', [], '2H', 8.63, 8.63), ('s', [], '1H', 8.35, 8.35), ('d', ['8.4Hz'], '1H', 8.18, 8.18), ('m', [], '1H', 7.89, 7.81), ('m', [], '1H', 7.73, 7.68), ('m', [], '1H', 7.6, 7.6), ('s', [], '3H', 4.14, 4.14), ('s', [], '3H', 2.64, 2.64)] | 13 | 9 | 13 |
10.1039_c9gc01557d | COC(=O)c1nc2ccc(C)cc2c2ccccc12 | 2 | 2 | [0.4049173 0.46875004 0.59296876 0.55625002] | [0.11475184 0.58125005 0.88363977 0.78125008] | 13C NMR | 75 MHz | DMSO-d6 | 166.7, 149.1, 140.9, 139.0, 133.2, 130.9, 130.8, 130.7, 127.8, 127.4, 124.8, 123.8, 122.2, 121.6, 53.1, 22.1 | null | [(166.7, None, None), (149.1, None, None), (140.9, None, None), (139.0, None, None), (133.2, None, None), (130.9, None, None), (130.8, None, None), (130.7, None, None), (127.8, None, None), (127.4, None, None), (124.8, None, None), (123.8, None, None), (122.2, None, None), (121.6, None, None), (53.1, None, None), (22.1... | 16 | 16 | 16 |
10.1039_c9gc01557d | COC(=O)c1nc2cc(C)ccc2c2ccccc12 | 3 | 3 | [0.40542281 0.09335938 0.59145226 0.18027344] | [0.11525736 0.20429688 0.88363977 0.40234379] | 1H NMR | 300 MHz | DMSO-d6 | 8.61-8.55 (m, 2H), 8.41 (d, J = 8.6 Hz, 1H), 8.07 (s, 1H), 7.83 (t, J = 8.4 Hz, 1H), 7.66 (t, J = 8.4 Hz, 1H), 7.54 (d, J = 8.4 Hz, 1H), 4.14 (s, 3H), 2.56 (s, 3H) | null | [('m', [], '2H', 8.61, 8.55), ('d', ['8.6Hz'], '1H', 8.41, 8.41), ('s', [], '1H', 8.07, 8.07), ('t', ['8.4Hz'], '1H', 7.83, 7.83), ('t', ['8.4Hz'], '1H', 7.66, 7.66), ('d', ['8.4Hz'], '1H', 7.54, 7.54), ('s', [], '3H', 4.14, 4.14), ('s', [], '3H', 2.56, 2.56)] | 13 | 9 | 13 |
10.1039_c9gc01557d | COC(=O)c1nc2cc(C)ccc2c2ccccc12 | 3 | 3 | [0.40542281 0.09335938 0.59145226 0.18027344] | [0.11525736 0.20429688 0.88363977 0.40234379] | 13C NMR | 75 MHz | DMSO-d6 | 166.6, 150.3, 142.7, 139.4, 133.5, 131.1, 130.5, 130.4, 127.6, 127.3, 123.2, 122.5, 121.9, 121.8, 53.2, 21.4 | null | [(166.6, None, None), (150.3, None, None), (142.7, None, None), (139.4, None, None), (133.5, None, None), (131.1, None, None), (130.5, None, None), (130.4, None, None), (127.6, None, None), (127.3, None, None), (123.2, None, None), (122.5, None, None), (121.9, None, None), (121.8, None, None), (53.2, None, None), (21.4... | 16 | 16 | 16 |
10.1039_c9gc01557d | COC(=O)c1nc2cc(OC)ccc2c2ccccc12 | 4 | 4 | [0.39935664 0.09340821 0.59954046 0.18046876] | [0.11525736 0.20781251 0.88363977 0.38281254] | 1H NMR | 300 MHz | DMSO-d6 | 8.61 (d, J = 8.6 Hz, 1H), 8.57 (d, J = 8.6 Hz, 1H), 8.50 (d, J = 8.4 Hz, 1H), 7.85 (t, J = 7.2 Hz, 1H), 7.69-7.66 (m, 2H), 7.42-7.36 (m, 1H), 4.16 (s, 3H), 3.98 (s, 3H) | null | [('d', ['8.6Hz'], '1H', 8.61, 8.61), ('d', ['8.6Hz'], '1H', 8.57, 8.57), ('d', ['8.4Hz'], '1H', 8.5, 8.5), ('t', ['7.2Hz'], '1H', 7.85, 7.85), ('m', [], '2H', 7.69, 7.66), ('m', [], '1H', 7.42, 7.36), ('s', [], '3H', 4.16, 4.16), ('s', [], '3H', 3.98, 3.98)] | 13 | 9 | 13 |
10.1039_c9gc01557d | COC(=O)c1nc2cc(OC)ccc2c2ccccc12 | 4 | 4 | [0.39935664 0.09340821 0.59954046 0.18046876] | [0.11525736 0.20781251 0.88363977 0.38281254] | 13C NMR | 75 MHz | DMSO-d6 | 166.6, 160.3, 150.4, 144.3, 133.6, 131.2, 127.4, 127.0, 123.3, 122.7, 121.5, 120.3, 119.3, 110.2, 55.7, 53.2 | null | [(166.6, None, None), (160.3, None, None), (150.4, None, None), (144.3, None, None), (133.6, None, None), (131.2, None, None), (127.4, None, None), (127.0, None, None), (123.3, None, None), (122.7, None, None), (121.5, None, None), (120.3, None, None), (119.3, None, None), (110.2, None, None), (55.7, None, None), (53.2... | 16 | 16 | 16 |
10.1039_c9gc01557d | [N+](c1ccc2c(c1)nc(C(=O)OC)c1ccccc21)(=O)[O-] | 4 | 4 | [0.40542281 0.4449219 0.59448531 0.53164064] | [0.11525736 0.55859379 0.88313423 0.73203131] | 1H NMR | 300 MHz | DMSO-d6 | 9.18-9.14 (m, 1H), 8.74-8.71 (m, 2H), 8.66 (d, J = 8.4 Hz, 1H), 8.54-8.50 (m, 1H), 8.03 (t, J = 7.4 Hz, 1H), 7.89 (t, J = 7.4 Hz, 1H), 4.19 (s, 3H) | null | [('m', [], '1H', 9.18, 9.14), ('m', [], '2H', 8.74, 8.71), ('d', ['8.4Hz'], '1H', 8.66, 8.66), ('m', [], '1H', 8.54, 8.5), ('t', ['7.4Hz'], '1H', 8.03, 8.03), ('t', ['7.4Hz'], '1H', 7.89, 7.89), ('s', [], '3H', 4.19, 4.19)] | 10 | 8 | 10 |
10.1039_c9gc01557d | [N+](c1ccc2c(c1)nc(C(=O)OC)c1ccccc21)(=O)[O-] | 4 | 4 | [0.40542281 0.4449219 0.59448531 0.53164064] | [0.11525736 0.55859379 0.88313423 0.73203131] | 13C NMR | 75 MHz | DMSO-d6 | 165.8, 152.7, 147.8, 142.1, 132.3, 132.2, 129.9, 129.2, 127.9, 126.6, 124.4, 123.6, 123.0, 122.2, 53.5 | null | [(165.8, None, None), (152.7, None, None), (147.8, None, None), (142.1, None, None), (132.3, None, None), (132.2, None, None), (129.9, None, None), (129.2, None, None), (127.9, None, None), (126.6, None, None), (124.4, None, None), (123.6, None, None), (123.0, None, None), (122.2, None, None), (53.5, None, None)] | 15 | 15 | 15 |
10.1039_c9gc01557d | COC(=O)c1nc2ccc(Cl)cc2c2ccccc12 | 5 | 5 | [0.41098349 0.09345704 0.58740813 0.1803711 ] | [0.11525736 0.20761719 0.88313423 0.38261722] | 1H NMR | 300 MHz | DMSO-d6 | 8.66 (d, J = 8.5 Hz, 1H), 8.59-8.54 (m, 2H), 8.23 (d, J = 8.8 Hz, 1H), 7.92 (t, J = 8.2 Hz, 1H), 7.78 (t, J = 7.4 Hz, 1H), 7.74-7.71 (m, 1H), 4.16 (s, 3H) | null | [('d', ['8.5Hz'], '1H', 8.66, 8.66), ('m', [], '2H', 8.59, 8.54), ('d', ['8.8Hz'], '1H', 8.23, 8.23), ('t', ['8.2Hz'], '1H', 7.92, 7.92), ('t', ['7.4Hz'], '1H', 7.78, 7.78), ('m', [], '1H', 7.74, 7.71), ('s', [], '3H', 4.16, 4.16)] | 10 | 8 | 10 |
10.1039_c9gc01557d | COC(=O)c1nc2ccc(Cl)cc2c2ccccc12 | 5 | 5 | [0.41098349 0.09345704 0.58740813 0.1803711 ] | [0.11525736 0.20761719 0.88313423 0.38261722] | 13C NMR | 75 MHz | DMSO-d6 | 166.1, 150.4, 150.1, 134.9, 132.5, 132.4, 131.4, 129.8, 128.6, 127.4, 126.0, 123.8, 122.3, 121.9, 53.4 | null | [(166.1, None, None), (150.4, None, None), (150.1, None, None), (134.9, None, None), (132.5, None, None), (132.4, None, None), (131.4, None, None), (129.8, None, None), (128.6, None, None), (127.4, None, None), (126.0, None, None), (123.8, None, None), (122.3, None, None), (121.9, None, None), (53.4, None, None)] | 15 | 15 | 15 |
10.1039_c9gc01557d | COC(=O)c1nc2ccc(F)cc2c2ccccc12 | 5 | 5 | [0.41502759 0.43203127 0.583364 0.51953129] | [0.11525736 0.54531252 0.88363977 0.74453127] | 1H NMR | 300 MHz | DMSO-d6 | 8.67 (d, J =8.6 Hz, 1H), 8.53 (d, J =8.6 Hz, 1H), 8.32-8.27 (m, 1H), 8.21-8.18 (m, 1H), 7.91 (t, J =7.7 Hz, 1H), 7.77 (t, J =7.7 Hz, 1H),7.55-7.52 (m, 1H), 4.15 (s, 3H) | null | [('d', ['8.6Hz'], '1H', 8.67, 8.67), ('d', ['8.6Hz'], '1H', 8.53, 8.53), ('m', [], '1H', 8.32, 8.27), ('m', [], '1H', 8.21, 8.18), ('t', ['7.7Hz'], '1H', 7.91, 7.91), ('t', ['7.7Hz'], '1H', 7.77, 7.77), ('m', [], '1H', 7.55, 7.52), ('s', [], '3H', 4.15, 4.15)] | 10 | 8 | 10 |
10.1039_c9gc01557d | COC(=O)c1nc2ccc(F)cc2c2ccccc12 | 5 | 5 | [0.41502759 0.43203127 0.583364 0.51953129] | [0.11525736 0.54531252 0.88363977 0.74453127] | 13C NMR | 75 MHz | DMSO-d6 | 166.4, 163.5, 149.3, 139.4, 133.5, 132.9, 131.3, 128.7, 127.5, 126.6, 123.4, 122.3, 118.5, 107.2, 53.2 | null | [(166.4, None, None), (163.5, None, None), (149.3, None, None), (139.4, None, None), (133.5, None, None), (132.9, None, None), (131.3, None, None), (128.7, None, None), (127.5, None, None), (126.6, None, None), (123.4, None, None), (122.3, None, None), (118.5, None, None), (107.2, None, None), (53.2, None, None)] | 15 | 15 | 15 |
10.1039_c9gc01557d | COC(=O)c1nc2cc(F)ccc2c2ccccc12 | 6 | 6 | [0.41351106 0.09331055 0.583364 0.18007814] | [0.11525736 0.20625001 0.88363977 0.38046877] | 1H NMR | 300 MHz | DMSO-d6 | 8.62-8.58 (m, 3H), 7.94-7.89 (m, 2H), 7.76-7.73 (m, 1H), 7.53-7.49 (m, 1H), 4.16 (s, 3H) | null | [('m', [], '3H', 8.62, 8.58), ('m', [], '2H', 7.94, 7.89), ('m', [], '1H', 7.76, 7.73), ('m', [], '1H', 7.53, 7.49), ('s', [], '3H', 4.16, 4.16)] | 10 | 8 | 10 |
10.1039_c9gc01557d | COC(=O)c1nc2cc(F)ccc2c2ccccc12 | 6 | 6 | [0.41351106 0.09331055 0.583364 0.18007814] | [0.11525736 0.20625001 0.88363977 0.38046877] | 13C NMR | 75 MHz | DMSO-d6 | 166.3, 164.0, 151.6, 143.9, 133.4, 131.7, 130.9, 127.9, 127.6, 124.2, 123.1, 121.9, 121.7, 118.0, 115.5, 53.3 | null | [(166.3, None, None), (164.0, None, None), (151.6, None, None), (143.9, None, None), (133.4, None, None), (131.7, None, None), (130.9, None, None), (127.9, None, None), (127.6, None, None), (124.2, None, None), (123.1, None, None), (121.9, None, None), (121.7, None, None), (118.0, None, None), (115.5, None, None), (53.... | 15 | 15 | 16 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(C)cc12 | 6 | 6 | [0.42362133 0.41640627 0.57123167 0.50859378] | [0.11576287 0.54140627 0.88313423 0.71484383] | 1H NMR | 300 MHz | DMSO-d6 | 8.57-8.51 (m, 2H), 8.39-8.36 (m, 1H), 8.28-8.23 (m, 1H), 7.76-7.68 (m, 3H), 4.16 (s, 3H), 2.61 (s, 3H) | null | [('m', [], '2H', 8.57, 8.51), ('m', [], '1H', 8.39, 8.36), ('m', [], '1H', 8.28, 8.23), ('m', [], '3H', 7.76, 7.68), ('s', [], '3H', 4.16, 4.16), ('s', [], '3H', 2.61, 2.61)] | 13 | 9 | 13 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(C)cc12 | 6 | 6 | [0.42362133 0.41640627 0.57123167 0.50859378] | [0.11576287 0.54140627 0.88313423 0.71484383] | 13C NMR | 75 MHz | DMSO-d6 | 166.8, 150.1, 142.4, 138.2, 133.0, 131.5, 131.0, 128.5, 126.6, 125.2, 123.7, 122.0, 121.9, 53.2, 21.7 | null | [(166.8, None, None), (150.1, None, None), (142.4, None, None), (138.2, None, None), (133.0, None, None), (131.5, None, None), (131.0, None, None), (128.5, None, None), (126.6, None, None), (125.2, None, None), (123.7, None, None), (122.0, None, None), (121.9, None, None), (53.2, None, None), (21.7, None, None)] | 16 | 16 | 15 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(OC)cc12 | 7 | 7 | [0.41856619 0.09296876 0.57780332 0.18476563] | [0.11525736 0.21523439 0.8826287 0.38945316] | 1H NMR | 300 MHz | DMSO-d6 | 8.56 (d, J = 8.8 Hz, 1H), 8.52-8.48 (m, 1H), 8.33-8.22 (m, 1H), 8.17 (d, J = 2.8 Hz, 1H), 7.79-7.67 (m, 2H), 7.54-7.50 (m, 1H), 4.16 (s, 3H), 3.98 (s, 3H) | null | [('d', ['8.8Hz'], '1H', 8.56, 8.56), ('m', [], '1H', 8.52, 8.48), ('m', [], '1H', 8.33, 8.22), ('d', ['2.8Hz'], '1H', 8.17, 8.17), ('m', [], '2H', 7.79, 7.67), ('m', [], '1H', 7.54, 7.5), ('s', [], '3H', 4.16, 4.16), ('s', [], '3H', 3.98, 3.98)] | 13 | 9 | 13 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(OC)cc12 | 7 | 7 | [0.41856619 0.09296876 0.57780332 0.18476563] | [0.11525736 0.21523439 0.8826287 0.38945316] | 13C NMR | 75 MHz | DMSO-d6 | 166.7, 159.3, 148.6, 141.9, 131.0, 128.8, 128.2, 128.1, 125.4, 125.2, 123.9, 122.5, 121.6, 106.9, 55.6, 53.3 | null | [(166.7, None, None), (159.3, None, None), (148.6, None, None), (141.9, None, None), (131.0, None, None), (128.8, None, None), (128.2, None, None), (128.1, None, None), (125.4, None, None), (125.2, None, None), (123.9, None, None), (122.5, None, None), (121.6, None, None), (106.9, None, None), (55.6, None, None), (53.3... | 16 | 16 | 16 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(C(C)(C)C)cc12 | 7 | 7 | [0.42614891 0.45000003 0.57123167 0.55625002] | [0.11525736 0.58046877 0.88363977 0.75468753] | 1H NMR | 300 MHz | DMSO-d6 | 8.66-8.64 (m, 1H), 8.59-8.52 (m, 2H), 8.30-8.24 (m, 1H), 7.96-7.94 (m, 1H), 7.77-7.70 (m, 2H), 4.17 (s, 3H), 1.47 (s, 9H) | null | [('m', [], '1H', 8.66, 8.64), ('m', [], '2H', 8.59, 8.52), ('m', [], '1H', 8.3, 8.24), ('m', [], '1H', 7.96, 7.94), ('m', [], '2H', 7.77, 7.7), ('s', [], '3H', 4.17, 4.17), ('s', [], '9H', 1.47, 1.47)] | 19 | 9 | 19 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(C(C)(C)C)cc12 | 7 | 7 | [0.42614891 0.45000003 0.57123167 0.55625002] | [0.11525736 0.58046877 0.88363977 0.75468753] | 13C NMR | 75 MHz | DMSO-d6 | 166.6, 151.2, 150.2, 142.5, 131.4, 131.0, 129.7, 128.8, 125.0, 123.7, 122.8, 122.0, 121.9, 53.3, 35.2, 31.1 | null | [(166.6, None, None), (151.2, None, None), (150.2, None, None), (142.5, None, None), (131.4, None, None), (131.0, None, None), (129.7, None, None), (128.8, None, None), (125.0, None, None), (123.7, None, None), (122.8, None, None), (122.0, None, None), (121.9, None, None), (53.3, None, None), (35.2, None, None), (31.1,... | 19 | 17 | 16 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(C(F)(F)F)cc12 | 8 | 8 | [0.42412687 0.09316407 0.57072613 0.18476563] | [0.11424633 0.21015626 0.8826287 0.43867188] | 1H NMR | 300 MHz | DMSO-d6 | 9.08 (s, 1H), 8.77 (d, J = 8.8 Hz, 1H), 8.63-8.58 (m, 1H), 8.36-8.31 (m, 1H), 8.11-8.05 (m, 1H), 7.85-7.81 (m, 2H), 4.18 (s, 3H) | null | [('s', [], '1H', 9.08, 9.08), ('d', ['8.8Hz'], '1H', 8.77, 8.77), ('m', [], '1H', 8.63, 8.58), ('m', [], '1H', 8.36, 8.31), ('m', [], '1H', 8.11, 8.05), ('m', [], '2H', 7.85, 7.81), ('s', [], '3H', 4.18, 4.18)] | 10 | 8 | 10 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(C(F)(F)F)cc12 | 8 | 8 | [0.42412687 0.09316407 0.57072613 0.18476563] | [0.11424633 0.21015626 0.8826287 0.43867188] | 13C NMR | 75 MHz | DMSO-d6 | 165.8, 149.4, 143.3, 135.6, 131.4, 130.3, 129.8 (q, J = 33.2 Hz), 129.6, 127.0 (q, J = 3.2 Hz), 125.2 (q, J = 4.4 Hz), 124.2, 124.0 (q, J = 271.2 Hz), 123.4, 123.0, 122.4, 53.5 | null | [(165.8, None, None), (149.4, None, None), (143.3, None, None), (135.6, None, None), (131.4, None, None), (130.3, None, None), (129.8, 'q', 33.2), (129.6, None, None), (127.0, 'q', 3.2), (125.2, 'q', 4.4), (124.2, None, None), (124.0, 'q', 271.2), (123.4, None, None), (123.0, None, None), (122.4, None, None), (53.5, No... | 16 | 16 | 16 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(F)cc12 | 8 | 8 | [0.42614891 0.50078128 0.57072613 0.5929688 ] | [0.11475184 0.6164063 0.8826287 0.8429688 ] | 1H NMR | 300 MHz | DMSO-d6 | 8.65-8.61 (m, 1H), 8.53-8.48 (m, 1H), 8.45-8.41 (m, 1H), 8.34-8.28 (m, 1H), 7.82-7.71 (m, 2H), 7.66-7.59 (m, 1H), 4.16 (s, 3H) | null | [('m', [], '1H', 8.65, 8.61), ('m', [], '1H', 8.53, 8.48), ('m', [], '1H', 8.45, 8.41), ('m', [], '1H', 8.34, 8.28), ('m', [], '2H', 7.82, 7.71), ('m', [], '1H', 7.66, 7.59), ('s', [], '3H', 4.16, 4.16)] | 10 | 8 | 10 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(Cl)cc12 | 9 | 9 | [0.42614891 0.09301759 0.5702206 0.18437501] | [0.11475184 0.2125 0.88363977 0.38671879] | 1H NMR | 300 MHz | DMSO-d6 | 8.74 (d, J = 2.4 Hz, 1H), 8.57 (d, J = 8.8 Hz, 1H), 8.56-8.49 (m, 1H), 8.31-8.26 (m, 1H), 7.86-7.73 (m, 3H), 4.16 (s, 3H) | null | [('d', ['2.4Hz'], '1H', 8.74, 8.74), ('d', ['8.8Hz'], '1H', 8.57, 8.57), ('m', [], '1H', 8.56, 8.49), ('m', [], '1H', 8.31, 8.26), ('m', [], '3H', 7.86, 7.73), ('s', [], '3H', 4.16, 4.16)] | 10 | 8 | 10 |
10.1039_c9gc01557d | COC(=O)c1nc2ccccc2c2ccc(Cl)cc12 | 9 | 9 | [0.42614891 0.09301759 0.5702206 0.18437501] | [0.11475184 0.2125 0.88363977 0.38671879] | 13C NMR | 75 MHz | DMSO-d6 | 166.1, 148.8, 142.5, 134.3, 131.8, 131.2, 129.5, 129.3, 126.6, 124.5, 123.8, 121,9, 53.3 | null | [(166.1, None, None), (148.8, None, None), (142.5, None, None), (134.3, None, None), (131.8, None, None), (131.2, None, None), (129.5, None, None), (129.3, None, None), (126.6, None, None), (124.5, None, None), (123.8, None, None), (121.0, None, None), (9.0, None, None), (53.3, None, None)] | 15 | 15 | 14 |
10.1039_c9gc01557d | CCOC(=O)c1nc2ccc(C)cc2c2ccccc12 | 9 | 9 | [0.39531251 0.44921879 0.60358459 0.53593753] | [0.11475184 0.56250004 0.88363977 0.76250003] | 1H NMR | 300 MHz | DMSO-d6 | 8.65 (d, J = 8.6 Hz, 1H), 8.56 (d, J = 8.6 Hz, 1H), 8.37 (s, 1H), 8.17 (d, J = 8.4 Hz, 1H), 7.88-7.85 (m, 1H), 7.72-7.69 (m, 1H), 7.62-7.59 (m, 1H), 4.65 (q, J =7.4 Hz, 2H), 2.65 (s, 3H), 1.54 (t, J = 8.0 Hz, 3H) | null | [('d', ['8.6Hz'], '1H', 8.65, 8.65), ('d', ['8.6Hz'], '1H', 8.56, 8.56), ('s', [], '1H', 8.37, 8.37), ('d', ['8.4Hz'], '1H', 8.17, 8.17), ('m', [], '1H', 7.88, 7.85), ('m', [], '1H', 7.72, 7.69), ('m', [], '1H', 7.62, 7.59), ('q', ['7.4Hz'], '2H', 4.65, 4.65), ('s', [], '3H', 2.65, 2.65), ('t', ['8.0Hz'], '3H', 1.54, 1... | 15 | 10 | 15 |
10.1039_c9gc01557d | CCOC(=O)c1nc2ccc(C)cc2c2ccccc12 | 9 | 9 | [0.39531251 0.44921879 0.60358459 0.53593753] | [0.11475184 0.56250004 0.88363977 0.76250003] | 13C NMR | 75 MHz | DMSO-d6 | 166.5, 150.1, 141.0, 138.9, 133.2, 130.9, 130.8, 130.6, 127.8, 127.2, 124.7, 123.6, 122.1, 121.6, 62.4, 22.2, 14.4 | null | [(166.5, None, None), (150.1, None, None), (141.0, None, None), (138.9, None, None), (133.2, None, None), (130.9, None, None), (130.8, None, None), (130.6, None, None), (127.8, None, None), (127.2, None, None), (124.7, None, None), (123.6, None, None), (122.1, None, None), (121.6, None, None), (62.4, None, None), (22.2... | 17 | 17 | 17 |
10.1039_c9gc01557d | CCCOC(=O)c1nc2ccc(C)cc2c2ccccc12 | 10 | 10 | [0.38494948 0.09350587 0.61369488 0.18027344] | [0.11525736 0.2046875 0.88363977 0.40429691] | 1H NMR | 300 MHz | DMSO-d6 | 8.66 (d, J = 8.6 Hz, 1H), 8.54 (d, J = 8.6 Hz, 1H), 8.39 (s, 1H), 8.17 (d, J = 8.4 Hz, 1H), 7.89-7.86 (m, 1H), 7.74-7.71 (m, 1H), 7.64-7.60 (m, 1H), 4.54 (t, J = 7.0 Hz, 2H), 2.65 (s, 3H), 1.94-1.89 (m, 2H), 1.09 (t, J = 7.2 Hz, 3H) | null | [('d', ['8.6Hz'], '1H', 8.66, 8.66), ('d', ['8.6Hz'], '1H', 8.54, 8.54), ('s', [], '1H', 8.39, 8.39), ('d', ['8.4Hz'], '1H', 8.17, 8.17), ('m', [], '1H', 7.89, 7.86), ('m', [], '1H', 7.74, 7.71), ('m', [], '1H', 7.64, 7.6), ('t', ['7.0Hz'], '2H', 4.54, 4.54), ('s', [], '3H', 2.65, 2.65), ('m', [], '2H', 1.94, 1.89), ('... | 17 | 11 | 17 |
10.1039_c9gc01557d | CCCOC(=O)c1nc2ccc(C)cc2c2ccccc12 | 10 | 10 | [0.38494948 0.09350587 0.61369488 0.18027344] | [0.11525736 0.2046875 0.88363977 0.40429691] | 13C NMR | 75 MHz | DMSO-d6 | 166.7, 152.3, 141.2, 138.9, 133.1, 130.9, 130.8, 130.6, 127.8, 127.2, 124.6, 123.5, 122.2, 121.6, 67.8, 22.1, 22.0, 10.6 | null | [(166.7, None, None), (152.3, None, None), (141.2, None, None), (138.9, None, None), (133.1, None, None), (130.9, None, None), (130.8, None, None), (130.6, None, None), (127.8, None, None), (127.2, None, None), (124.6, None, None), (123.5, None, None), (122.2, None, None), (121.6, None, None), (67.8, None, None), (22.1... | 18 | 18 | 18 |
10.1039_c9gc01557d | c1ccc(OC(c2c3c(cccc3)c3c(ccc(C)c3)n2)=O)cc1 | 10 | 10 | [0.38975186 0.46640627 0.60712318 0.5539063 ] | [0.11576287 0.5777344 0.88313423 0.77773439] | 1H NMR | 300 MHz | DMSO-d6 | 8.78 (d, J = 8.4 Hz, 1H), 8.72 (d, J = 8.4 Hz, 1H), 8.43 (s, 1H), 8.28 (d, J = 8.4 Hz, 1H), 7.94-7.90 (m, 1H), 7.78-7.75 (m, 1H), 7.67-7.63 (m, 1H), 7.53-7.49 (m, 2H), 7.44-7.39 (m, 2H), 7.35-7.31 (m, 1H), 2.69 (s, 3H) | null | [('d', ['8.4Hz'], '1H', 8.78, 8.78), ('d', ['8.4Hz'], '1H', 8.72, 8.72), ('s', [], '1H', 8.43, 8.43), ('d', ['8.4Hz'], '1H', 8.28, 8.28), ('m', [], '1H', 7.94, 7.9), ('m', [], '1H', 7.78, 7.75), ('m', [], '1H', 7.67, 7.63), ('m', [], '2H', 7.53, 7.49), ('m', [], '2H', 7.44, 7.39), ('m', [], '1H', 7.35, 7.31), ('s', [],... | 15 | 11 | 15 |
10.1039_c9gc01557d | c1ccc(OC(c2c3c(cccc3)c3c(ccc(C)c3)n2)=O)cc1 | 10 | 10 | [0.38975186 0.46640627 0.60712318 0.5539063 ] | [0.11576287 0.5777344 0.88313423 0.77773439] | 13C NMR | 75 MHz | DMSO-d6 | 164.7, 150.9, 148.5, 141.2, 139.4, 133.3, 131.0, 130.9, 129.6, 128.0, 127.3, 126.2, 125.0, 123.9, 122.3, 121.9, 121.7, 22.2 | null | [(164.7, None, None), (150.9, None, None), (148.5, None, None), (141.2, None, None), (139.4, None, None), (133.3, None, None), (131.0, None, None), (130.9, None, None), (129.6, None, None), (128.0, None, None), (127.3, None, None), (126.2, None, None), (125.0, None, None), (123.9, None, None), (122.3, None, None), (121... | 21 | 19 | 18 |
10.1039_c9gc01557d | COC(=O)C1Nc2ccccc2-c2ccccc21 | 11 | 11 | [0.42463235 0.09301759 0.57123167 0.16445314] | [0.11525736 0.19638672 0.8826287 0.34492188] | 1H NMR | 300 MHz | DMSO-d6 | 7.67-7.64 (m, 1H), 7.53-7.51 (m, 1H), 7.31-7.27 (m, 2H), 7.08-7.01 (m, 2H), 6.88 (d, J = 2.2 Hz, 1H), 6.77-6.74 (m, 1H), 6.67-6.63 (m, 1H), 5.12 (d, J = 2.2 Hz, 1H), 4.01 (s, 3H) | null | [('m', [], '1H', 7.67, 7.64), ('m', [], '1H', 7.53, 7.51), ('m', [], '2H', 7.31, 7.27), ('m', [], '2H', 7.08, 7.01), ('d', ['2.2Hz'], '1H', 6.88, 6.88), ('m', [], '1H', 6.77, 6.74), ('m', [], '1H', 6.67, 6.63), ('d', ['2.2Hz'], '1H', 5.12, 5.12), ('s', [], '3H', 4.01, 4.01)] | 13 | 11 | 13 |
10.1002_chem.201402561 | c1coc(-c2pc3ccccc3s2)c1 | 3 | 4 | [0.76671091 0.74140629 0.87616203 0.77109381] | [0.14593488 0.12773439 0.89882618 0.62031254] | 1H NMR | 500 MHz | CDCl3 | 8.24 (br t, J = 7.2 Hz, 1H), 8.00 (br d, J = 8.1 Hz, 1H), 7.50 (d, J = 0.6 Hz, 1H), 7.43 (br t, J = 7.6 Hz, 1H), 7.36 (br t, J = 7.5 Hz, 1H), 6.86-6.82 (m, 1H), 6.52-6.48 (m, 1H) | null | [('brt', ['7.2Hz'], '1H', 8.24, 8.24), ('brd', ['8.1Hz'], '1H', 8.0, 8.0), ('d', ['0.6Hz'], '1H', 7.5, 7.5), ('brt', ['7.6Hz'], '1H', 7.43, 7.43), ('brt', ['7.5Hz'], '1H', 7.36, 7.36), ('m', [], '1H', 6.86, 6.82), ('m', [], '1H', 6.52, 6.48)] | 7 | 7 | 7 |
10.1002_chem.201402561 | c1coc(-c2pc3ccccc3s2)c1 | 3 | 4 | [0.76671091 0.74140629 0.87616203 0.77109381] | [0.14593488 0.12773439 0.89882618 0.62031254] | 13C NMR | 126 MHz | CDCl3 | 166.2 (d, JPC = 51.3 Hz), 153.3 (d, JPC = 39.3 Hz), 152.2 (d, JPC = 18.3 Hz), 146.9 (d, JPC = 11.0 Hz), 143.3 (d, JPC = 5.8 Hz), 130.9 (d, JPC = 28.1 Hz), 126.7 (d, JPC = 3.6 Hz), 124.2 (d, JPC = 13.6 Hz), 123.2, 112.8 (d, JPC = 1.6 Hz), 108.0 (d, JPC = 13.1 Hz) | null | [(166.2, 'd', 51.3), (153.3, 'd', 39.3), (152.2, 'd', 18.3), (146.9, 'd', 11.0), (143.3, 'd', 5.8), (130.9, 'd', 28.1), (126.7, 'd', 3.6), (124.2, 'd', 13.6), (123.2, None, None), (112.8, 'd', 1.6), (108.0, 'd', 13.1)] | 11 | 11 | 11 |
10.1002_chem.201402561 | CC(C)OP(Sc1ccc(SP(=O)(OC(C)C)OC(C)C)cc1)(OC(C)C)=O | 4 | 5 | [0.76726372 0.67421876 0.87339811 0.77109381] | [0.14593488 0.12773439 0.89882618 0.58789066] | 1H NMR | 500 MHz | CDCl3 | 7.54 (s, 4H), 4.79-4.69 (m, 4H), 1.30 (d, J = 6.2 Hz, 12H), 1.24 (d, J = 6.2 Hz, 12H) | null | [('s', [], '4H', 7.54, 7.54), ('m', [], '4H', 4.79, 4.69), ('d', ['6.2Hz'], '12H', 1.3, 1.3), ('d', ['6.2Hz'], '12H', 1.24, 1.24)] | 32 | 3 | 32 |
10.1002_chem.201402561 | CC(C)OP(Sc1ccc(SP(=O)(OC(C)C)OC(C)C)cc1)(OC(C)C)=O | 4 | 5 | [0.76726372 0.67421876 0.87339811 0.77109381] | [0.14593488 0.12773439 0.89882618 0.58789066] | 13C NMR | 126 MHz | CDCl3 | 134.7-134.6 (m), 128.9-128.7 (m), 73.9-73.7 (m), 24.1-24.0 (m), 23.8-23.7 (m) | null | [([134.7, 134.6], 'm', None), ([128.9, 128.7], 'm', None), ([73.9, 73.7], 'm', None), ([24.1, 24.0], 'm', None), ([23.8, 23.7], 'm', None)] | 18 | 4 | 5 |
10.1002_chem.201402561 | CC(C)OP(=O)(OC(C)C)c1cc(S)c(P(=O)(OC(C)C)OC(C)C)cc1S | 5 | 6 | [0.76726372 0.64609381 0.90435401 0.70546876] | [0.14593488 0.12812501 0.89882618 0.58828126] | 1H NMR | 500 MHz | CDCl3 | 7.77 (dd, J = 14.5 Hz, 5.7 Hz, 2H), 5.18 (s, 2H), 4.75-4.65 (m, 4H), 1.37 (d, J = 6.2 Hz, 12H), 1.25 (d, J = 6.2 Hz, 12H) | null | [('dd', ['14.5Hz', '5.7Hz'], '2H', 7.77, 7.77), ('s', [], '2H', 5.18, 5.18), ('m', [], '4H', 4.75, 4.65), ('d', ['6.2Hz'], '12H', 1.37, 1.37), ('d', ['6.2Hz'], '12H', 1.25, 1.25)] | 32 | 4 | 32 |
10.1002_chem.201402561 | O(CCCCCC)C1C(S)=CC(OCCCCCC)=C(S)C=1 | 9 | 9 | [0.79545565 0.12695313 0.88500659 0.18691408] | [0.1453821 0.12812501 0.89937898 0.71640631] | 1H NMR | 500 MHz | CDCl3 | 6.75 (s, 2H), 3.92 (t, J = 6.5 Hz, 4H), 3.85 (s, 2H), 1.82-1.74 (m, 4H), 1.51-1.41 (m, 4H), 1.38-1.29 (m, 8H), 0.89 (br t, J = 7.2 Hz, 6H) | null | [('s', [], '2H', 6.75, 6.75), ('t', ['6.5Hz'], '4H', 3.92, 3.92), ('s', [], '2H', 3.85, 3.85), ('m', [], '4H', 1.82, 1.74), ('m', [], '4H', 1.51, 1.41), ('m', [], '8H', 1.38, 1.29), ('brt', ['7.2Hz'], '6H', 0.89, 0.89)] | 30 | 8 | 30 |
10.1002_chem.201402561 | O(CCCCCC)C1C(S)=CC(OCCCCCC)=C(S)C=1 | 9 | 9 | [0.79545565 0.12695313 0.88500659 0.18691408] | [0.1453821 0.12812501 0.89937898 0.71640631] | 13C NMR | 126 MHz | CDCl3 | 148.7, 118.1, 113.5, 69.8, 31.8, 29.5, 26.0, 22.8, 14.2 | null | [(148.7, None, None), (118.1, None, None), (113.5, None, None), (69.8, None, None), (31.8, None, None), (29.5, None, None), (26.0, None, None), (22.8, None, None), (14.2, None, None)] | 18 | 9 | 9 |
10.1002_chem.201402561 | O(CCCCCC)C1=C2C(SC(=P2)C2C=CC=CC=2)=C(OCCCCCC)C2=C1SC(=P2)C1C=CC=CC=1 | 13 | 12 | [0.67107934 0.35507815 0.86565916 0.4167969 ] | [0.14648767 0.70312507 0.89882618 0.84531256] | 1H NMR | 500 MHz | CD2Cl2 | 7.95 (d, J = 7.6 Hz, 4H), 7.50-7.41 (m, 6H), 4.47 (t, J = 6.6 Hz, 4H), 2.03-1.94 (m, 4H), 1.69-1.58 (m, 4H), 1.47-1.36 (m, 8H), 0.95 (br t, J = 7.0 Hz, 6H) | null | [('d', ['7.6Hz'], '4H', 7.95, 7.95), ('m', [], '6H', 7.5, 7.41), ('t', ['6.6Hz'], '4H', 4.47, 4.47), ('m', [], '4H', 2.03, 1.94), ('m', [], '4H', 1.69, 1.58), ('m', [], '8H', 1.47, 1.36), ('brt', ['7.0Hz'], '6H', 0.95, 0.95)] | 36 | 9 | 36 |
10.1002_chem.201402561 | O(CCCCCC)C1=C2C(SC(=P2)C2SC=CC=2)=C(OCCCCCC)C2=C1SC(=P2)C1SC=CC=1 | 15 | 15 | [0.70424635 0.15585938 0.88334828 0.21679689] | [0.14593488 0.50859378 0.89993178 0.81093751] | 1H NMR | 500 MHz | CD2Cl2 | 7.58 (d, J = 1.8 Hz, 2H), 6.95 (dd, J = 3.5 Hz, 0.8 Hz, 2H), 6.59-6.57 (m, 2H), 4.42 (t, J = 6.6 Hz, 4H), 2.00-1.90 (m, 4H), 1.66-1.56 (m, 4H), 1.47-1.35 (m, 8H), 0.95 (br t, J = 7.0 Hz, 6H) | null | [('d', ['1.8Hz'], '2H', 7.58, 7.58), ('dd', ['3.5Hz', '0.8Hz'], '2H', 6.95, 6.95), ('m', [], '2H', 6.59, 6.57), ('t', ['6.6Hz'], '4H', 4.42, 4.42), ('m', [], '4H', 2.0, 1.9), ('m', [], '4H', 1.66, 1.56), ('m', [], '8H', 1.47, 1.35), ('brt', ['7.0Hz'], '6H', 0.95, 0.95)] | 32 | 9 | 32 |
10.1002_anie.201105611 | CN(c1ccccc1)S(=O)(=O)c1ccccn1 | 2 | 2 | [0.14731684 0.39746097 0.25732078 0.46796879] | [0.13764312 0.37500004 0.85902577 0.64687501] | 1H NMR | not_known | not_known | 8.78 (d, J= 3.7 Hz, 1H), 7.84 (dt, J= 1.5, 7.6 Hz, 1H), 7.75 (d, J= 7.6 Hz, 1H), 7.51 (m, 1H), 7.31-7.21 (m, 5H), 3.54 (s, 3H) | null | [('d', ['3.7Hz'], '1H', 8.78, 8.78), ('dt', ['1.5Hz', '7.6Hz'], '1H', 7.84, 7.84), ('d', ['7.6Hz'], '1H', 7.75, 7.75), ('m', [], '1H', 7.51, 7.51), ('m', [], '5H', 7.31, 7.21), ('s', [], '3H', 3.54, 3.54)] | 12 | 8 | 12 |
10.1002_anie.201105611 | CN(c1ccccc1)S(=O)(=O)c1ccccn1 | 2 | 2 | [0.14731684 0.39746097 0.25732078 0.46796879] | [0.13764312 0.37500004 0.85902577 0.64687501] | 13C NMR | not_known | not_known | 156.8, 149.9, 141.3, 137.7, 129.0 (2C), 127.4, 127.0 (2C), 126.7, 123.2, 40.0 | null | [(156.8, None, None), (149.9, None, None), (141.3, None, None), (137.7, None, None), (129.0, None, None), (127.4, None, None), (127.0, None, None), (126.7, None, None), (123.2, None, None), (40.0, None, None)] | 12 | 10 | 10 |
10.1002_anie.201105611 | CN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12 | 2 | 2 | [0.14482931 0.68320318 0.27058759 0.75820314] | [0.13764312 0.66093753 0.86013137 0.82500003] | 1H NMR | not_known | not_known | 9.07 (dd, J= 1.6, 4.0 Hz, 1H), 8.32 (dd, J= 1.3, 7.4 Hz, 1H), 8.22 (dd, J= 1.6, 7.3 Hz, 1H), 7.97 (dd, J= 1.3, 7.9 Hz, 1H), 7.54-7.48 (m, 2H), 7.14-7.08 (m, 5H), 3.70 (s, 3H) | null | [('dd', ['1.6Hz', '4.0Hz'], '1H', 9.07, 9.07), ('dd', ['1.3Hz', '7.4Hz'], '1H', 8.32, 8.32), ('dd', ['1.6Hz', '7.3Hz'], '1H', 8.22, 8.22), ('dd', ['1.3Hz', '7.9Hz'], '1H', 7.97, 7.97), ('m', [], '2H', 7.54, 7.48), ('m', [], '5H', 7.14, 7.08), ('s', [], '3H', 3.7, 3.7)] | 14 | 10 | 14 |
10.1002_anie.201105611 | CN(c1ccccc1)S(=O)(=O)c1cccnc1 | 3 | 3 | [0.14206539 0.1201172 0.25041099 0.18925782] | [0.24239564 0.09121094 0.85902577 0.22539064] | 1H NMR | not_known | not_known | 8.80 (d, J= 2.6 Hz, 2H), 7.79 (d, J= 8.0 Hz, 1H), 7.41-7.30 (m, 4H), 7.10-7.08 (m, 2H), 3.22 (s, 3H) | none | [('d', ['2.6Hz'], '2H', 8.8, 8.8), ('d', ['8.0Hz'], '1H', 7.79, 7.79), ('m', [], '4H', 7.41, 7.3), ('m', [], '2H', 7.1, 7.08), ('s', [], '3H', 3.22, 3.22)] | 12 | 8 | 12 |
10.1002_anie.201105611 | CN(c1ccccc1)S(=O)(=O)c1cccnc1 | 3 | 3 | [0.14206539 0.1201172 0.25041099 0.18925782] | [0.24239564 0.09121094 0.85902577 0.22539064] | 13C NMR | not_known | not_known | 155.4, 148.4, 140.8, 135.4, 133.2, 129.2, 127.9, 126.6, 123.5, 38.3 | none | [(155.4, None, None), (148.4, None, None), (140.8, None, None), (135.4, None, None), (133.2, None, None), (129.2, None, None), (127.9, None, None), (126.6, None, None), (123.5, None, None), (38.3, None, None)] | 12 | 10 | 10 |
10.1002_anie.201105611 | CCCCN(c1ccccc1)S(=O)(=O)c1ccccn1 | 3 | 3 | [0.14496751 0.26953127 0.25027279 0.33906251] | [0.16196561 0.24726563 0.85902577 0.36914066] | 1H NMR | not_known | not_known | 8.68 (d, J= 4.2 Hz, 1H), 7.70 (dt, J= 1.6, 7.6 Hz, 1H), 7.60 (d, J= 7.8 Hz, 1H), 7.39 (m, 1H), 7.25-7.17 (m, 3H), 7.05-7.02 (m, 2H), 3.80 (m, 2H), 1.39-1.23 (m, 4H), 0.79 (m, 3H) | null | [('d', ['4.2Hz'], '1H', 8.68, 8.68), ('dt', ['1.6Hz', '7.6Hz'], '1H', 7.7, 7.7), ('d', ['7.8Hz'], '1H', 7.6, 7.6), ('m', [], '1H', 7.39, 7.39), ('m', [], '3H', 7.25, 7.17), ('m', [], '2H', 7.05, 7.02), ('m', [], '2H', 3.8, 3.8), ('m', [], '4H', 1.39, 1.23), ('m', [], '3H', 0.79, 0.79)] | 18 | 11 | 18 |
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