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COc1ncc(-c2ccc3ncc(C#CCO)n3n2)cc1NS(=O)(=O)c1ccc(F)cc1F
ir: 8 15 20 4 5 9 48 20 25 13 4 6 4 2 3 5 5 3 6 6 5 5 3 4 5 4 4 11 14 6 5 3 4 8 18 9 9 4 9 7 11 5 7 8 5 11 22 7 15 1 8 8 9 26 37 7 4 2 4 12 5 2 7 3 4 20 40 65 34 5 4 5 2 2 3 2 2 1 2 5 24 52 8 14 22 18 44 9 4 100 23 9 16 4 4 44 15 5 2 2 0 1 3 2 3 6 16 6 6 4 9 17 4 11 73 16 7 3 4 2 2 3 3 8 1 2 7 15 6 4 4 4 1 2 2 2 4 3 3 1 47 11 2 10 15 3 5 5 3 7 28 5 6 4 2 1 1 1 1 3 27 12 1 1 1 1 1 0 1 1 1 1 3 3 1 1 1 2 0 0 1 1 0 0 0 1 0 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 2 3 1 2 2 2 2 3 2 3 2 3 7 3 9 22 48 23 13 4 11 15 20 18 17 26 9 3 4 2 1 2 2 1 1 1 2 2 3 2 2 2 8 28 22 3 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 87 87 s 1H | 82 81 m 2H | 79 78 m 2H | 77 76 d 1H J 88 | 74 74 s 1H | 72 71 m 2H | 45 45 d 2H J 62 | 39 39 s 2H | 28 27 t 1H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O
ir: 1 2 6 3 10 3 5 3 4 6 2 1 2 1 1 1 0 1 1 1 1 1 1 2 1 1 2 1 3 2 1 2 6 3 2 3 3 2 3 1 2 2 3 4 4 4 3 3 1 2 1 1 2 4 5 5 1 2 2 0 2 2 2 2 1 2 1 2 2 3 4 3 1 1 2 4 3 3 4 3 3 3 2 1 1 3 5 14 11 8 11 10 7 2 1 3 8 4 4 4 4 7 9 11 9 9 11 18 7 10 12 7 9 8 11 8 8 2 5 2 2 5 9 5 6 7 6 1 1 3 3 1 5 1 0 2 3 1 1 1 2 3 3 5 3 29 4 2 2 1 1 1 1 0 0 0 0 0 0 1 1 2 4 2 1 0 0 1 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 2 2 0 1 2 2 3 2 2 3 3 3 2 10 10 4 8 14 10 7 33 26 10 4 2 3 10 11 5 4 6 19 100 16 4 2 3 3 3 2 1 2 3 4 8 24 10 6 10 7 3 4 3 1 1 1 2 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 7 | 70 69 dd 2H J 75 161 | 48 47 m 1H | 45 44 dp 1H J 39 78 | 43 42 d 1H J 42 | 42 41 dtdd 1H J 8 18 47 66 | 41 40 m 1H | 39 39 d 1H J 44 | 38 37 m 1H | 23 21 m 3H | 21 20 dddt 1H J 18 46 57 132 | 20 19 m 2H | 17 16 m 5H | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
ir: 1 1 3 2 2 2 3 2 3 1 1 1 1 1 2 1 1 3 4 13 4 2 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 2 1 1 1 0 0 0 0 0 1 0 1 3 5 1 5 4 5 5 73 59 30 9 2 1 2 3 2 2 2 5 5 9 5 4 21 24 5 1 2 4 2 2 2 3 1 3 2 8 3 10 10 6 2 3 6 8 27 13 4 5 2 2 1 1 2 1 1 1 0 1 0 0 1 1 0 0 1 1 2 4 13 12 6 4 3 4 5 3 3 3 13 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 5 13 28 15 8 52 50 3 2 1 2 1 1 1 1 1 4 12 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 12 4 4 3 5 15 34 100 17 18 4 8 22 16 5 3 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 5H | 68 67 m 5H | 57 57 s 2H | 29 29 s 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCc1ccc(OCC2CC2)cc1
ir: 1 1 1 1 1 2 2 2 4 5 3 3 3 4 4 4 1 2 5 3 1 1 1 1 0 1 1 0 0 1 1 1 3 3 3 7 4 10 6 6 7 9 11 21 4 2 2 2 4 1 1 1 1 4 62 83 42 12 5 0 2 1 3 4 6 13 11 9 7 20 3 2 2 2 1 0 2 1 2 0 1 2 2 6 4 8 25 7 6 5 3 2 5 3 2 3 7 4 0 1 1 1 0 1 1 1 1 1 5 7 2 1 1 1 0 1 1 1 1 4 4 2 2 2 2 4 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 3 7 10 15 20 100 25 34 19 51 23 4 4 2 1 1 1 3 15 6 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 0 0 0 1 1 0 1 1 1 1 2 2 1 3 6 13 11 8 14 11 100 46 28 14 16 12 4 8 3 0 2 2 1 1 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 73 dt 2H J 9 85 | 69 68 m 2H | 46 46 t 2H J 9 | 39 39 d 2H J 45 | 14 13 pt 1H J 45 62 | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(C(F)(F)F)cc1N1CCCCC1
ir: 4 3 3 8 5 11 5 3 3 2 4 3 5 4 9 5 4 5 5 6 6 8 8 15 40 17 8 6 4 4 3 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 7 5 2 2 3 2 3 3 25 4 3 2 2 2 4 3 2 2 2 3 10 11 4 3 3 3 3 5 4 11 9 7 8 22 8 3 4 3 7 14 5 3 5 9 5 3 4 5 3 4 11 7 14 6 2 3 3 3 8 3 3 3 8 12 6 15 53 13 4 4 4 4 6 16 7 4 4 3 3 5 5 3 3 2 3 3 5 2 3 3 3 4 4 5 7 10 100 3 5 6 3 4 3 3 3 3 8 3 8 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 3 2 3 2 10 4 4 16 26 11 5 4 5 3 0 7 9 31 38 3 2 3 4 2 1 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 d 1H J 112 | 76 75 ddt 1H J 14 36 112 | 72 72 dq 1H J 10 20 | 34 34 m 4H | 17 16 m 4H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CO/N=C(\C(=O)O)c1csc(N)n1
ir: 9 12 17 3 16 11 15 11 13 14 4 7 8 8 1 10 6 11 12 16 17 6 2 88 15 17 14 6 3 6 9 5 3 8 6 1 3 4 3 3 2 6 5 3 2 3 2 1 2 4 3 2 3 3 3 1 2 3 2 1 3 3 3 10 7 7 4 4 4 7 3 5 2 4 2 1 6 9 15 48 23 0 11 8 12 22 6 4 3 9 7 5 1 6 4 5 3 3 3 8 6 11 10 9 26 20 4 2 1 2 3 3 1 1 2 1 0 2 3 8 7 13 5 3 3 2 4 16 2 2 2 2 0 3 15 4 1 2 2 1 0 5 10 11 80 41 10 5 15 23 21 21 17 8 10 5 2 1 1 1 1 1 2 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 1 2 2 2 2 9 4 2 1 22 4 2 1 1 2 1 0 33 57 4 3 2 2 2 4 2 13 100 10 10 3 4 4 2 2 5 9 21 10 22 9 3 3 2 3 1 2 4 2 2 3 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 70 70 s 1H | 66 66 s 2H | 48 48 s 2H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(OC)c(OC)cc1C1=NCCc2ccccc21
ir: 2 2 3 4 6 9 3 3 2 4 7 2 2 2 4 4 6 4 2 1 1 1 1 1 1 2 1 1 1 1 4 3 1 1 4 1 2 2 3 3 1 4 53 2 3 3 1 4 1 1 1 0 1 1 2 2 1 1 1 1 3 1 4 2 3 2 3 6 49 7 3 3 9 8 4 6 2 1 1 0 1 1 0 0 2 1 1 1 1 5 1 1 2 1 0 1 9 1 1 1 1 1 4 13 6 3 1 1 2 19 0 1 1 1 1 1 3 4 18 5 3 3 2 2 2 1 3 3 1 1 4 1 1 1 4 10 7 4 2 1 1 1 5 2 100 2 2 1 1 1 14 3 3 31 5 5 2 1 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 2 1 1 1 0 2 2 2 12 8 3 16 97 18 4 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 dd 1H J 15 72 | 75 75 s 1H | 75 74 td 1H J 18 73 | 74 74 s 1H | 73 73 ddd 1H J 16 65 71 | 73 72 ddt 1H J 9 18 65 | 41 41 t 2H J 58 | 39 39 s 2H | 39 39 s 6H | 30 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)n(-c2nc3ccccc3n2Cc2ccc(-c3ccccc3C(=O)O)cc2)n1
ir: 1 1 1 12 3 2 2 3 5 6 4 2 2 2 1 5 8 4 4 6 6 6 12 6 4 3 3 1 1 3 6 1 2 2 2 2 1 1 1 1 2 2 10 8 2 1 1 1 1 2 5 4 1 3 9 3 3 2 6 4 3 1 1 1 1 1 1 1 1 2 1 9 7 4 5 9 4 3 4 10 5 3 1 1 2 2 2 2 4 2 2 1 1 1 1 1 3 3 2 3 2 2 1 1 1 1 1 1 1 1 3 6 2 1 1 1 2 2 3 2 10 4 2 3 9 3 2 3 3 2 3 2 2 1 2 3 2 2 10 3 2 4 1 3 21 5 3 2 4 3 8 2 4 1 1 3 5 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 5 4 14 100 21 14 5 4 3 1 2 6 22 22 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 dd 1H J 15 81 | 78 77 m 2H | 76 75 dd 1H J 14 71 | 75 75 m 2H | 74 73 m 4H | 71 70 dp 2H J 9 69 | 60 60 d 1H J 8 | 55 55 t 2H J 9 | 23 23 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1c(Br)sc(Br)c1C(=O)Nc1ccccc1
ir: 4 4 4 2 2 2 3 3 10 4 5 4 3 5 3 5 26 6 5 6 15 90 84 10 12 8 5 12 13 10 7 12 10 10 8 12 13 28 18 29 19 66 27 19 8 6 5 3 4 6 8 7 14 7 14 3 3 6 5 2 3 4 2 2 4 3 3 3 13 13 2 2 3 7 3 0 5 9 42 42 5 2 4 10 5 2 4 3 0 100 2 16 7 3 2 3 3 3 2 2 3 2 2 5 9 6 1 2 3 2 3 18 5 2 1 2 3 2 1 2 3 2 1 3 3 2 1 6 21 3 2 5 4 4 14 10 31 5 4 6 38 2 6 4 4 2 3 30 99 15 10 6 15 38 17 6 2 3 3 1 8 9 4 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 3 3 3 6 5 8 82 22 16 5 4 2 3 2 2 5 2 2 2 2 2 2 3 2 3 2 2 3 3 3 3 5 4 6 9 12 10 26 25 14 12 5 6 5 6 5 4 3 3 3 3 3 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 97 97 s 1H | 77 77 m 2H | 73 73 m 2H | 72 71 tt 1H J 13 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1csc(NS(C)(=O)=O)n1
ir: 1 2 2 1 3 2 4 16 16 4 2 2 1 2 1 1 1 2 2 1 1 2 2 3 2 1 2 3 2 2 1 2 3 1 2 12 9 2 2 2 2 2 2 1 1 2 3 2 2 1 1 2 2 1 1 2 3 2 2 2 2 2 1 2 2 1 1 2 1 1 7 5 25 9 5 4 3 1 1 2 2 3 2 2 1 1 2 3 0 100 7 2 3 3 9 8 8 3 2 2 2 2 1 1 1 2 20 5 3 1 2 2 2 2 1 2 2 2 2 2 2 2 1 5 11 7 4 3 3 2 2 1 1 2 3 11 2 2 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 2 1 1 3 2 2 1 1 2 2 17 40 4 5 5 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 11 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 s 1H | 67 67 t 1H J 9 | 42 41 q 2H J 66 | 36 35 d 2H J 9 | 31 30 s 3H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccccc1
ir: 1 2 4 1 1 1 5 1 2 1 1 2 1 1 5 6 3 1 1 2 1 7 5 1 1 0 0 1 2 8 4 3 20 20 5 4 1 1 2 6 14 4 3 18 3 13 17 11 10 7 2 1 1 1 1 3 2 0 1 1 1 0 1 2 1 1 1 3 19 6 6 1 2 1 1 2 2 3 4 1 1 3 2 1 1 1 1 1 6 8 5 2 1 1 1 1 1 4 3 2 2 1 1 1 1 1 1 1 1 1 1 0 1 14 6 1 3 2 3 4 11 10 7 10 4 3 8 20 2 2 2 2 1 3 15 20 30 33 9 7 29 9 5 12 7 5 4 5 2 1 2 5 6 2 2 1 20 7 0 1 1 1 3 3 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 4 4 8 22 18 100 28 9 3 3 2 1 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 80 d 1H J 25 | 80 80 d 1H J 89 | 78 78 dd 1H J 25 89 | 75 75 m 2H | 75 74 ddt 2H J 9 69 78 | 75 74 m 1H | 73 72 m 6H | 52 52 t 2H J 8 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1c(F)ccc(O)c1Cl)c1cc(-c2cccc(F)c2)ccc1F
ir: 21 14 9 3 3 3 2 4 2 2 2 4 1 2 2 2 1 5 33 13 3 1 5 8 9 4 3 2 2 3 2 10 4 3 1 4 4 2 2 3 4 3 11 23 53 8 20 40 4 7 4 3 2 23 59 25 5 6 2 0 1 2 2 1 2 4 5 15 15 4 6 2 2 5 2 1 2 5 9 2 5 3 1 2 4 6 24 13 35 4 4 3 3 2 2 2 4 3 2 1 1 1 5 17 4 3 1 1 1 2 1 6 2 1 1 2 1 2 2 2 4 2 4 2 2 3 10 5 2 5 2 2 1 1 2 2 11 2 4 12 13 3 3 6 8 25 10 37 14 5 4 4 10 25 18 11 4 2 3 13 2 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 2 6 28 100 54 18 6 13 3 3 5 13 24 6 2 1 2 1 2 2 2 2 2 3 10 4 12 13 11 4 6 4 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 94 d 1H J 48 | 83 83 dd 1H J 22 39 | 76 75 ddd 1H J 21 39 82 | 74 73 m 3H | 72 70 m 3H | 72 72 s 1H | 67 66 dd 1H J 48 93
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O
ir: 15 10 5 9 13 9 5 10 13 10 6 10 13 8 6 12 13 8 10 13 14 12 17 23 24 25 33 24 20 21 24 20 15 14 14 15 13 11 9 14 13 9 9 12 10 7 12 22 13 7 10 13 14 23 100 95 27 2 11 17 17 19 11 16 9 6 11 15 10 11 14 19 12 9 12 13 12 9 11 11 9 7 14 22 11 7 12 12 8 9 18 19 11 12 14 15 24 47 73 62 12 10 15 11 6 10 14 11 10 11 16 17 11 11 13 10 7 10 13 9 6 10 12 9 6 11 16 12 9 10 12 9 22 28 15 12 7 15 20 16 8 12 11 7 8 12 11 7 8 14 24 29 40 22 31 8 8 14 11 5 8 15 12 0 64 77 11 11 9 10 9 7 9 11 9 7 9 11 8 7 9 11 8 7 9 11 8 7 10 11 8 7 10 11 8 7 10 10 8 7 10 10 7 7 10 10 7 8 11 10 7 8 11 10 7 8 12 10 7 9 12 9 6 9 12 9 6 9 12 9 6 9 12 8 6 9 11 8 7 10 12 8 7 10 11 8 7 10 11 8 7 10 11 8 7 10 10 7 7 10 10 7 8 11 10 7 8 11 10 7 8 12 10 7 9 12 11 8 9 13 12 7 9 13 13 12 25 26 11 14 44 68 55 23 19 19 10 8 10 11 8 7 10 11 8 8 10 11 9 12 36 56 47 19 17 17 11 8 10 10 7 8 11 10 8 10 11 10 7 8 11 9 7 8 11 9 7 9 11 9 6 9 11 9 6 9 11 9 7 9 11 8 7 9 11 8 7 9 11 8 7 10 10 8 8 10 10 8 7 10 10 8 8 10 10 7 8 10 10 7 8 10 9 7 8 10 9 7 8 11 9 7 8 11 9 7 9 11 9 7; 1HNMR: 88 88 s 1H | 73 72 p 1H J 16 | 65 64 dq 1H J 15 33 | 64 64 dddt 1H J 9 17 55 92 | 58 58 ddd 1H J 17 38 93 | 46 46 tdd 1H J 16 39 55 | 40 40 t 1H J 60 | 39 38 dddd 1H J 9 38 60 110 | 37 36 dddd 1H J 9 39 60 111 | 18 18 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OCc2c(C(=O)c3ccc(F)c(Cl)c3)cnc(C=O)c2O1
ir: 4 4 0 3 10 7 8 9 5 6 6 2 4 5 5 28 12 25 4 2 5 4 7 2 13 16 7 6 6 2 4 7 6 1 28 32 27 52 16 8 20 57 32 6 2 1 2 12 4 0 1 2 2 1 12 32 14 3 2 1 5 4 1 4 1 1 4 10 32 7 21 3 1 2 4 7 3 1 3 2 1 1 7 3 9 4 2 3 1 1 1 15 5 3 2 16 12 6 27 7 2 3 3 4 12 26 47 13 5 3 1 1 1 2 6 31 38 22 10 16 7 24 15 16 29 13 29 18 20 14 1 2 13 14 3 2 0 1 4 13 4 31 8 5 3 1 3 5 21 19 60 7 4 2 4 7 4 2 2 17 2 2 3 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 2 4 3 2 1 2 4 2 0 1 2 3 1 5 24 26 15 16 100 19 8 7 6 2 3 1 1 1 0 1 1 1 1 1 1 1 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 84 s 1H | 80 79 dd 1H J 21 36 | 78 77 ddd 1H J 22 40 84 | 74 74 dd 1H J 83 102 | 53 52 s 2H | 16 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC=CC(=O)C1
ir: 3 1 3 3 4 2 0 6 9 3 2 14 17 9 4 1 2 1 1 2 1 1 1 2 5 5 2 1 2 3 13 10 3 1 1 3 2 0 2 5 9 29 100 23 5 3 6 27 5 3 4 3 7 43 57 26 6 4 2 2 3 4 3 2 8 13 4 3 1 2 5 5 2 5 5 3 2 1 3 2 1 1 2 2 2 1 2 3 11 15 6 3 3 23 10 2 4 3 1 2 2 2 4 6 7 20 37 13 9 10 5 3 1 3 2 2 3 8 7 14 31 16 19 6 1 5 5 2 4 3 6 6 3 3 3 19 37 12 7 8 10 51 39 6 3 3 5 2 2 4 2 2 3 2 3 3 7 40 85 3 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 4 6 3 6 9 5 6 3 5 9 6 13 34 26 26 80 19 3 3 2 2 1 2 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 69 dtd 1H J 18 59 90 | 61 60 dp 1H J 9 88 | 27 26 ddd 1H J 9 56 148 | 24 22 m 2H | 21 20 dddd 1H J 9 58 79 149 | 20 19 m 1H | 10 10 d 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cc1ccc(OCCNC2=Nc3ccccc3Sc3ccccc32)cc1)OCC
ir: 3 6 9 11 2 7 22 12 10 4 26 28 32 14 13 6 1 10 15 13 28 22 29 9 6 5 2 2 1 4 2 2 4 2 6 3 11 5 4 2 2 6 18 38 12 3 2 3 3 3 2 3 4 6 17 17 6 11 3 0 3 3 2 2 2 1 3 5 6 4 5 1 4 6 9 12 6 11 8 2 5 7 1 2 2 2 4 8 3 1 2 1 5 2 3 3 2 8 10 4 1 1 0 2 2 1 2 8 2 3 1 5 7 6 4 3 4 6 3 4 13 10 9 8 12 13 14 6 6 3 0 2 3 5 59 6 3 5 15 7 13 6 1 9 46 37 22 31 43 20 4 5 22 3 4 1 1 1 4 51 12 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 2 1 1 2 5 2 1 2 3 3 2 24 21 6 46 100 31 9 5 2 2 3 1 1 2 1 0 1 1 1 1 1 1 2 2 1 3 4 14 16 95 41 7 2 3 2 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 16 70 | 75 75 dtd 2H J 16 68 84 | 74 74 td 1H J 13 65 | 74 73 dd 1H J 18 63 | 73 73 td 1H J 18 72 | 73 72 ddd 2H J 15 73 163 | 72 71 dt 2H J 9 89 | 68 68 m 2H | 65 65 t 1H J 47 | 42 41 m 5H | 38 37 m 3H | 36 36 dq 1H J 64 114 | 31 31 ddt 1H J 8 69 142 | 29 28 ddt 1H J 9 68 141 | 12 12 t 3H J 64 | 11 10 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NNc1nc2nonc2nc1NCc1ccccc1
ir: 12 10 8 6 8 4 0 4 9 6 10 11 11 9 10 5 4 9 22 24 28 25 35 30 31 34 28 29 34 42 25 15 32 23 32 14 21 30 12 31 67 4 7 13 8 5 5 6 3 5 3 5 8 8 9 8 5 4 4 4 3 2 4 6 3 2 3 8 4 4 3 4 5 1 4 4 2 3 7 4 2 1 5 5 6 2 3 3 4 9 8 7 1 2 4 6 12 7 5 5 3 4 5 3 3 15 5 4 3 6 13 10 3 3 5 3 3 5 10 16 10 9 21 13 10 16 8 34 39 37 23 11 4 5 9 25 10 26 80 100 67 24 20 13 3 9 5 12 12 36 22 4 5 4 4 8 16 7 4 4 3 5 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 1 3 3 1 2 3 3 2 2 5 4 1 2 4 2 2 2 4 3 2 4 6 10 10 13 36 12 9 4 5 3 1 4 4 3 1 3 4 3 2 4 4 6 12 8 6 6 19 59 48 75 41 24 43 8 4 4 3 4 2 4 3 1 3 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 100 100 s 0H | 91 91 d 1H J 60 | 79 79 t 1H J 57 | 74 72 m 6H | 48 47 dt 2H J 9 57 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(O)c2oc(=O)ccc12
ir: 0 1 1 1 0 2 5 5 66 49 1 1 1 0 0 2 5 7 0 1 2 4 5 1 1 0 1 1 1 1 1 2 2 2 3 2 2 5 7 1 1 1 1 4 4 1 1 1 1 1 2 6 13 15 3 1 1 0 1 1 1 2 1 1 0 1 2 2 1 1 1 3 3 8 1 1 1 1 1 1 1 1 1 1 1 2 11 10 12 7 2 1 7 5 1 0 1 1 1 1 0 2 3 4 4 1 1 1 1 1 1 2 5 5 12 11 2 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 10 4 1 1 1 1 3 12 1 1 1 1 1 1 5 2 5 4 1 1 1 7 1 2 1 1 1 7 1 14 0 1 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 3 2 3 3 10 30 10 3 3 3 0 1 100 10 2 2 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 79 78 d 1H J 97 | 69 69 s 2H | 63 63 d 1H J 99 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C=Cc1cccc(C(=O)c2ccccc2)c1
ir: 2 1 1 2 3 5 2 3 3 3 30 3 3 4 4 4 3 3 6 6 20 61 11 2 6 4 3 3 5 3 10 11 6 7 15 69 55 16 11 1 3 5 8 14 6 7 8 2 8 11 3 3 2 1 2 5 1 1 1 1 1 1 1 1 1 1 1 2 4 2 6 4 3 2 4 4 2 1 31 91 7 6 0 0 4 7 12 4 2 2 1 2 2 1 1 2 4 1 1 1 3 3 3 42 2 1 1 1 1 1 1 1 6 3 1 3 8 29 5 3 2 2 7 3 3 13 7 4 3 4 4 11 5 3 15 2 2 2 3 5 4 26 10 41 22 22 13 4 2 1 1 2 3 4 11 23 1 2 2 4 7 2 1 3 7 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 2 10 8 4 56 100 21 11 4 1 3 3 2 8 94 50 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 t 1H J 22 | 79 77 m 4H | 76 75 m 6H | 66 65 d 1H J 167
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(N(C(=O)Cc2c(C)cc(C)cc2C)N(C)C)CCN(N(C)C)CC1
ir: 10 12 4 6 1 4 2 6 2 14 5 41 15 13 9 15 9 19 15 13 4 3 9 2 1 3 3 2 14 8 11 13 10 14 14 5 2 2 2 1 2 3 2 2 3 7 9 9 12 35 32 9 7 22 3 6 4 6 3 4 7 4 2 1 3 7 22 11 5 5 9 5 6 9 9 7 13 10 2 2 4 13 17 4 2 4 4 5 15 8 11 9 4 6 3 4 10 11 10 4 7 9 13 4 6 2 2 6 4 5 3 5 3 3 6 10 19 20 13 26 23 6 1 11 8 3 8 15 10 11 36 17 4 7 2 14 4 1 3 4 5 5 8 16 21 26 2 9 9 100 14 1 0 3 1 2 8 1 1 1 3 26 2 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 5 3 2 1 3 6 4 8 10 4 4 6 16 45 26 28 27 15 8 9 5 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 68 68 s 2H | 37 37 s 3H | 36 35 s 2H | 33 32 ddd 2H J 38 65 115 | 32 31 ddd 2H J 38 65 115 | 27 27 s 5H | 26 25 s 5H | 23 23 m 2H | 23 23 s 7H | 22 22 s 3H | 21 20 ddd 2H J 38 64 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1O
ir: 2 2 2 1 1 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 7 5 3 10 3 1 1 0 0 0 0 0 0 0 1 9 4 2 0 0 1 1 1 1 2 0 1 0 0 1 1 0 1 0 1 7 2 2 1 0 1 1 1 0 0 0 0 1 0 1 0 2 3 2 1 0 1 2 2 3 1 5 4 7 1 3 5 1 1 0 0 0 3 2 4 3 1 1 2 1 2 1 0 1 1 1 2 4 1 1 1 1 1 1 1 0 1 1 1 4 0 0 0 0 0 0 0 0 0 1 4 0 1 9 4 1 0 0 1 1 0 3 6 10 4 1 1 5 3 1 0 0 1 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 3 1 5 3 4 100 8 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H | 83 82 d 1H J 113 | 80 80 dt 1H J 9 18 | 76 75 dp 1H J 13 112 | 43 42 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(CC(=O)c1ccc(F)cc1)Nc1c(F)cccc1F
ir: 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 1 2 2 2 2 4 4 1 5 5 3 5 2 3 3 3 2 4 2 3 7 12 5 6 32 3 31 12 6 4 4 6 10 2 2 1 3 6 2 1 5 9 2 1 0 1 1 0 0 1 1 0 9 1 4 0 1 1 1 3 1 1 3 5 11 3 5 1 1 1 0 1 2 4 1 0 0 1 1 0 0 3 2 1 0 1 1 2 1 1 1 0 1 1 1 2 1 1 0 0 1 0 1 1 0 1 1 2 1 1 2 4 3 2 0 1 3 6 1 1 2 2 1 1 7 9 8 4 6 13 14 7 2 3 5 14 100 8 3 1 1 0 1 1 5 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 2 4 2 7 22 11 4 1 2 1 1 1 0 1 1 0 0 1 1 2 7 45 37 8 6 2 4 10 50 7 12 2 1 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 t 1H J 43 | 85 85 s 1H | 80 79 m 2H | 73 71 m 3H | 70 69 m 2H | 41 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c(OC)nn1
ir: 1 1 1 1 0 1 2 2 1 1 1 1 1 1 2 2 4 1 3 6 3 1 2 2 3 2 1 2 1 1 1 1 1 1 2 1 1 1 2 1 4 9 7 1 1 12 16 3 1 1 1 2 1 0 1 2 1 1 2 1 1 2 2 2 2 1 1 1 2 3 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 8 1 1 1 1 1 1 2 3 1 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 9 1 1 18 2 1 1 9 3 5 1 1 1 5 14 1 1 17 2 1 1 14 1 14 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 3 1 2 4 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 18 1 1 1 0 1 1 0 1 1 1 2 100 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 7 86 | 80 80 m 1H | 76 75 t 1H J 85 | 74 74 s 2H | 73 73 s 1H | 47 47 s 2H | 42 42 p 1H J 52 | 41 40 s 3H | 40 39 s 3H | 20 19 m 2H | 19 18 m 3H | 18 17 dtdd 2H J 9 51 77 112
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cc2cc(O)ccc2n1CC(F)(F)F)N1CCOCC1
ir: 3 2 1 2 1 2 3 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 3 4 2 1 1 2 3 6 2 2 1 1 2 1 1 1 1 1 0 1 7 10 1 3 1 1 1 1 1 1 1 1 2 2 8 2 1 1 1 1 3 2 1 1 3 2 4 5 4 4 13 3 2 1 1 0 3 1 1 1 1 1 1 1 1 1 1 2 6 2 2 7 2 4 2 1 3 4 2 1 3 1 1 2 1 1 2 4 4 2 2 3 4 13 1 1 1 1 3 1 5 2 1 1 1 1 4 1 1 1 1 2 9 1 9 1 1 1 1 15 2 1 3 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 1 0 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 3 2 4 1 1 1 1 1 1 2 2 6 3 9 10 6 2 1 1 3 4 100 14 5 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 s 1H | 73 72 d 1H J 86 | 72 71 d 1H J 20 | 71 70 t 1H J 22 | 68 67 dd 1H J 22 86 | 46 45 q 2H J 119 | 37 37 m 2H | 37 37 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CN1c2nc(N3CC4CCC(C3)O4)cc(=O)n2CC[C@H]1C(F)(F)F)c1ccncc1
ir: 10 7 5 5 3 4 6 6 4 5 7 10 9 4 12 14 5 9 33 22 12 28 5 6 5 3 4 16 16 12 8 8 7 8 3 7 7 20 46 14 9 15 12 20 4 6 4 6 7 3 3 5 27 2 4 4 3 2 6 6 9 5 4 18 14 25 23 23 22 17 12 8 14 22 6 6 6 2 6 6 1 13 5 5 5 9 20 15 7 8 10 7 12 6 12 8 11 54 10 10 8 5 16 13 17 8 12 16 12 12 16 20 4 5 8 9 13 5 8 7 0 8 16 28 10 6 4 3 4 7 5 6 4 6 13 6 9 14 6 15 24 21 15 9 3 11 57 9 6 15 92 10 3 4 2 2 2 3 3 1 4 20 16 100 20 2 4 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 5 5 5 7 5 4 4 9 7 8 7 25 8 17 33 12 10 10 7 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 88 88 m 2H | 78 78 m 2H | 53 52 d 1H J 132 | 51 51 d 1H J 132 | 50 49 s 1H | 42 41 t 2H J 92 | 41 41 ddd 2H J 14 21 37 | 41 40 m 1H | 38 38 dd 2H J 20 110 | 36 35 dd 2H J 20 108 | 22 21 m 1H | 21 20 m 2H | 20 18 m 1H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1
ir: 14 23 18 4 2 4 4 7 27 21 16 5 19 8 4 3 1 3 4 1 0 3 4 5 10 4 4 5 15 17 100 33 7 10 8 19 8 4 7 3 39 4 3 1 2 8 9 1 3 4 3 3 3 17 7 1 6 3 2 0 2 4 4 22 10 7 11 4 9 8 28 1 4 5 1 1 4 6 5 2 7 16 1 6 27 2 3 3 83 2 4 4 2 4 45 3 3 4 6 7 5 2 1 1 3 2 0 2 3 3 3 3 4 5 0 2 4 2 3 10 7 4 4 6 6 11 4 10 4 4 3 11 9 5 3 8 2 2 1 3 4 4 18 47 16 4 7 23 6 9 10 4 3 3 2 2 2 1 2 4 7 4 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 3 2 3 5 7 7 12 17 26 54 7 19 6 3 5 9 2 1 3 4 2 1 2 2 2 1 2 2 1 1 2 3 3 28 4 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 m 2H | 75 74 m 2H | 73 73 m 2H | 73 72 m 1H | 72 71 dq 2H J 10 70 | 48 48 d 1H J 82 | 43 42 dd 1H J 55 125 | 42 41 dtt 1H J 55 69 82 | 41 40 dd 1H J 55 125 | 30 29 ddt 1H J 9 70 141 | 28 27 ddt 1H J 9 69 141 | 24 24 d 3H J 9 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1c(-c2ccc(Cl)c(NS(=O)(=O)Cc3cccc(Cl)c3)c2)[nH]c2ccccc12
ir: 1 1 4 7 5 8 4 8 3 6 15 9 6 5 1 5 9 6 6 8 14 39 22 19 6 6 6 6 6 6 14 10 7 6 10 18 4 11 9 2 5 10 13 13 7 2 3 9 14 1 4 5 13 6 35 9 11 9 2 3 1 1 1 3 1 1 2 3 17 9 15 6 1 6 4 9 5 12 54 7 5 7 2 4 8 23 19 29 4 11 8 4 1 2 1 8 35 38 7 5 3 10 3 1 0 1 3 9 34 4 0 1 3 11 16 18 5 4 4 8 9 8 7 5 12 8 8 6 7 6 5 3 2 2 2 1 1 5 3 12 5 15 24 14 2 15 8 4 5 3 2 7 3 9 13 7 2 1 1 3 4 3 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 5 5 6 2 1 1 2 3 5 17 5 18 53 30 7 3 2 3 3 2 2 26 24 13 3 1 0 1 2 2 1 1 1 1 2 4 12 20 31 100 41 12 4 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 86 86 s 1H | 78 77 dd 1H J 24 69 | 75 74 m 3H | 74 73 m 3H | 73 72 m 2H | 72 71 m 2H | 45 44 t 2H J 8 | 41 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccnc(Nc2cncnc2)c1
ir: 1 3 3 2 5 11 5 2 0 2 3 3 2 4 6 3 2 3 2 2 5 10 4 2 3 17 20 12 5 8 4 2 7 4 6 24 100 13 6 8 12 7 4 1 9 33 30 2 4 2 3 2 4 4 5 5 3 4 2 3 3 3 2 5 6 8 4 7 6 4 4 2 4 3 5 2 2 6 1 2 3 4 2 5 9 18 5 4 3 11 6 5 3 4 6 8 8 3 1 3 3 3 3 5 8 4 1 2 4 7 7 24 11 4 5 4 3 4 2 6 4 3 3 6 4 8 3 3 3 3 2 2 3 2 2 7 6 2 3 2 2 2 1 10 19 22 2 28 51 17 2 6 11 11 8 9 61 5 2 5 18 5 9 10 19 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 3 2 2 7 10 16 18 10 10 4 3 3 2 2 1 2 2 2 1 2 2 1 2 2 2 3 2 3 4 10 30 18 23 41 11 3 2 3 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 89 88 t 1H J 16 | 88 88 d 2H J 17 | 86 86 s 1H | 82 82 d 1H J 47 | 77 77 m 2H | 75 74 m 2H | 70 70 dt 1H J 9 20 | 67 67 ddt 1H J 9 19 46 | 51 51 d 2H J 9 | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)(C)c1[nH]cnc1/C=C1\NC(=O)[C@H](Cc2ccccc2)NC1=O
ir: 8 8 9 11 8 5 9 6 9 7 8 8 27 12 6 16 20 40 11 5 15 12 24 52 72 12 6 8 7 11 36 17 13 13 6 3 6 5 9 50 19 15 30 34 14 9 15 14 11 2 6 8 5 10 11 6 4 4 5 6 5 5 6 6 6 5 7 6 12 9 9 49 22 6 7 14 23 6 16 5 5 4 6 30 8 8 10 5 7 35 36 15 12 18 8 21 15 8 10 6 14 12 7 9 12 19 25 12 6 12 31 18 7 8 12 9 10 12 10 24 29 30 14 13 11 11 8 14 13 25 18 7 5 12 7 10 10 14 41 15 27 17 21 22 4 24 71 82 14 4 6 17 8 14 39 13 5 4 4 4 3 5 4 0 27 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 7 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 3 3 3 3 3 3 3 3 3 3 3 4 6 6 7 10 11 6 8 7 10 6 7 6 9 14 14 14 62 36 47 41 100 37 56 9 7 9 8 7 6 6 11 17 37 7 8 8 5 6 7 7 16 7 28 72 69 27 29 14 12 10 4 6 4 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 86 86 s 1H | 82 81 d 1H J 59 | 73 71 m 7H | 62 61 d 1H J 78 | 60 59 dddt 1H J 9 20 117 172 | 53 52 dd 1H J 24 172 | 52 51 dd 1H J 24 117 | 45 44 dt 1H J 70 77 | 32 31 ddt 1H J 9 71 140 | 30 29 ddt 1H J 8 69 139 | 15 15 d 6H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12
ir: 1 1 2 2 1 3 7 5 14 8 4 2 3 19 59 11 4 2 3 5 1 2 2 2 3 2 3 3 4 2 1 1 1 2 2 1 1 2 7 4 1 2 1 0 1 2 1 9 3 2 1 0 1 2 2 2 3 3 4 1 3 8 10 47 25 4 4 8 8 2 2 6 21 9 5 2 2 2 3 6 15 5 3 1 1 1 2 1 1 2 1 2 10 6 2 2 7 32 5 1 1 1 1 1 2 2 5 13 2 1 4 4 2 2 1 1 3 4 4 3 14 3 2 3 4 2 6 2 9 2 1 1 3 9 1 2 3 10 2 2 2 14 1 1 1 1 1 1 1 4 8 13 23 1 3 2 1 30 3 4 4 2 1 2 1 2 4 9 4 2 2 2 2 1 1 1 1 1 1 1 1 1 0 100 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 2 2 2 2 5 5 8 6 3 3 4 11 11 9 94 16 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 13 | 83 83 s 1H | 81 81 s 1H | 74 74 s 1H | 72 72 d 1H J 13 | 40 40 s 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1C(=O)N(CC(=O)C2CC2)c2ccccc2N(CC(=O)C2CC2)C1=O
ir: 5 6 9 4 3 2 2 4 1 4 7 7 7 17 40 5 19 5 4 4 8 5 5 5 6 14 7 5 10 14 51 75 29 16 37 51 6 29 6 9 14 9 28 98 11 5 7 26 24 2 4 5 3 5 3 2 4 3 2 1 3 7 1 2 2 2 1 1 1 2 2 4 14 9 3 11 8 2 1 1 2 2 14 25 10 13 12 3 1 6 3 2 3 2 1 1 5 3 6 6 4 2 0 1 3 2 2 3 19 4 6 2 3 3 3 5 7 22 17 5 9 11 8 7 18 20 75 34 10 5 24 28 12 7 5 3 1 6 11 10 13 22 18 38 8 85 34 40 25 100 60 11 4 3 2 13 1 2 2 1 2 2 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 2 3 1 1 4 5 2 5 5 3 7 21 12 16 24 2 22 49 47 100 12 18 3 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 2 3 3 5 97 22 5 4 5 3 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 dd 2H J 34 57 | 73 72 dd 2H J 34 57 | 65 65 d 1H J 86 | 58 58 d 1H J 86 | 45 45 s 3H | 23 23 p 2H J 59 | 14 14 s 8H | 12 11 m 4H | 9 8 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
ir: 8 14 27 3 2 4 1 2 1 2 2 3 5 5 8 3 3 2 2 5 1 1 1 2 4 1 1 1 1 1 2 21 2 4 5 1 3 3 1 1 2 17 7 5 2 2 2 1 1 1 2 1 2 1 8 10 5 5 1 2 3 3 8 17 1 1 3 4 8 4 4 9 7 11 5 6 9 7 12 6 22 11 27 24 59 46 56 38 17 17 6 7 6 4 5 2 3 4 6 16 6 4 3 2 5 4 2 2 1 4 2 2 4 2 3 10 26 38 39 33 6 5 4 8 5 4 2 1 2 2 5 3 2 3 6 2 6 7 2 1 16 6 3 3 17 6 5 2 11 7 6 2 7 2 8 4 1 1 1 0 1 1 3 10 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 2 3 3 2 4 2 7 6 13 39 32 11 8 5 3 2 1 2 2 1 1 2 1 1 1 2 3 10 58 10 9 14 10 77 100 11 13 5 3 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 82 82 m 2H | 79 79 m 2H | 74 73 m 3H | 72 72 s 2H | 72 71 m 2H | 68 68 d 1H J 9 | 28 27 dd 2H J 9 61 | 21 20 dtd 1H J 13 74 134 | 10 9 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(Nc2ncnc3cccc(OCCN4CCCCC4)c23)ccc1OCc1ccccn1
ir: 4 5 11 10 9 7 5 7 3 6 5 1 12 5 2 7 16 36 9 6 8 12 8 5 4 8 10 10 10 15 39 40 7 13 11 11 6 36 10 4 6 8 5 5 2 7 5 4 2 6 4 3 6 14 34 100 26 4 5 5 3 5 3 5 14 6 5 12 22 11 12 6 7 7 2 3 7 12 5 1 14 10 4 6 9 15 4 4 21 14 4 4 3 3 5 6 7 4 12 18 12 7 4 6 1 3 18 64 8 9 4 4 4 6 4 10 3 2 1 2 3 2 2 3 6 2 2 2 4 3 6 7 5 3 5 7 30 6 9 10 8 41 17 5 5 2 2 6 8 7 4 5 10 15 14 35 25 10 8 11 93 10 46 11 79 14 3 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 3 3 1 2 3 2 2 3 4 5 7 9 20 76 29 6 9 2 3 4 2 1 2 2 1 1 2 2 1 1 2 2 1 2 3 10 6 14 47 16 54 7 5 7 2 2 2 2 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 m 3H | 79 78 m 2H | 76 76 dq 1H J 10 73 | 76 75 dd 1H J 76 83 | 74 74 d 1H J 21 | 74 73 ddd 1H J 15 42 73 | 73 73 dd 1H J 22 88 | 70 70 d 1H J 89 | 69 69 dd 1H J 11 84 | 53 53 d 2H J 11 | 42 42 t 2H J 60 | 30 30 t 2H J 59 | 25 25 m 4H | 16 15 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NC4CCNCC4)cc2S3)[nH]1
ir: 1 3 2 2 2 1 3 4 4 10 5 4 3 6 4 1 2 3 2 5 6 2 2 6 5 19 21 25 9 1 1 1 2 1 1 2 12 4 1 1 1 1 1 3 3 3 11 10 5 4 1 1 13 5 19 8 10 4 2 5 1 1 1 1 1 3 2 15 2 1 1 4 5 18 14 8 6 1 1 1 1 2 1 3 2 2 2 0 1 5 7 8 2 2 2 3 1 1 4 1 1 1 3 1 3 8 10 7 4 3 3 2 2 3 4 8 19 7 2 2 1 2 2 2 1 3 3 6 8 4 6 4 2 2 4 1 1 2 4 10 3 4 2 1 1 2 2 1 4 49 13 4 5 14 12 11 2 10 12 2 1 2 17 5 2 1 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 2 2 2 1 0 1 1 0 1 4 19 3 3 51 17 16 7 1 2 2 2 0 8 100 3 0 2 1 0 2 1 10 23 13 6 5 4 29 52 6 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 77 77 dd 1H J 11 77 | 75 74 dd 1H J 12 67 | 73 72 dd 1H J 68 77 | 72 72 d 1H J 80 | 71 70 d 1H J 7 | 66 65 d 1H J 26 | 65 64 dd 1H J 26 81 | 59 59 s 1H | 48 48 d 1H J 73 | 38 37 dp 1H J 49 73 | 37 37 m 4H | 37 36 p 1H J 42 | 33 32 m 4H | 30 29 dddd 2H J 22 40 48 141 | 29 28 dddd 2H J 22 41 49 141 | 20 19 dtd 2H J 23 49 137 | 17 17 dtd 2H J 23 49 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=Cc1ccccc1Cl)C(=O)OCC
ir: 7 8 3 9 15 10 8 6 4 4 1 2 2 3 2 2 2 1 2 3 4 19 17 3 3 1 5 2 3 1 3 5 9 9 29 15 14 4 4 12 8 35 76 15 8 11 3 1 2 1 2 2 1 1 1 2 1 1 1 2 1 1 3 6 2 1 5 3 10 11 3 5 11 5 7 12 7 9 38 7 5 1 3 2 2 1 2 10 4 1 2 2 32 22 5 2 1 1 3 9 0 2 4 2 1 1 3 2 1 1 2 3 4 6 9 4 7 3 14 27 4 5 4 2 1 2 3 1 5 7 12 8 7 3 4 2 25 29 4 2 2 3 3 2 7 20 38 100 15 9 6 2 2 2 2 2 2 3 1 1 1 2 2 1 4 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 2 2 1 2 3 3 1 4 12 19 19 23 64 43 7 3 5 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 s 1H | 76 76 dd 1H J 14 80 | 75 75 m 1H | 75 74 m 2H | 44 42 dq 4H J 71 299 | 13 12 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2CCCc3cc(Cc4cc(Br)ccc4Cl)ccc32)cc1
ir: 1 2 4 6 4 2 3 3 6 5 3 3 3 3 3 3 3 2 3 1 1 1 3 3 1 1 1 1 1 0 1 1 1 2 1 1 2 3 3 1 1 11 7 0 1 2 1 0 3 6 9 21 59 28 35 19 15 14 4 3 5 9 5 5 2 5 4 8 7 20 3 1 1 1 1 1 1 2 3 2 3 17 12 5 3 5 4 31 8 8 7 13 8 3 2 4 10 9 6 5 4 4 3 2 1 1 4 1 0 2 3 4 5 3 3 2 7 2 5 9 6 3 3 4 3 5 3 2 2 1 2 5 2 2 1 1 1 1 1 2 3 3 3 2 4 9 31 17 19 16 10 7 23 5 10 8 2 1 1 1 1 1 2 2 1 1 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 3 3 4 4 2 2 2 2 5 6 32 14 25 100 52 19 8 2 5 3 3 1 2 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dd 1H J 23 76 | 73 73 dt 1H J 9 23 | 73 73 d 1H J 75 | 72 72 dt 2H J 9 85 | 70 70 ddt 1H J 9 19 86 | 69 69 d 1H J 87 | 69 68 m 3H | 46 46 t 2H J 9 | 40 39 q 2H J 9 | 38 38 s 2H | 35 34 m 2H | 28 27 tdd 2H J 9 22 73 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cncc(Oc2ccc(C(C)N)cc2Br)c1
ir: 11 5 4 3 5 4 3 2 3 7 2 2 1 2 2 2 8 4 2 5 2 4 3 4 1 2 10 2 1 5 2 2 8 50 6 4 4 6 2 2 7 4 1 3 1 1 2 8 21 5 3 9 18 12 14 46 21 15 2 3 7 10 32 4 10 26 15 10 14 9 2 6 9 4 6 1 4 5 27 47 18 29 23 7 3 6 4 2 6 7 2 2 1 1 1 2 3 3 2 2 2 1 1 1 0 4 2 2 5 3 5 3 3 6 5 8 19 37 5 10 21 15 28 21 6 7 9 8 9 11 11 16 65 40 22 8 5 4 3 3 9 3 2 1 3 24 2 5 7 21 4 3 22 3 1 1 2 0 12 12 5 10 2 3 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 1 2 1 1 0 1 0 1 1 1 1 0 2 2 2 5 12 7 40 39 22 21 7 4 1 2 2 1 1 1 2 3 11 26 27 15 4 3 7 6 2 15 100 3 2 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 t 1H J 17 | 84 84 t 1H J 17 | 78 77 t 1H J 16 | 75 75 dd 1H J 7 22 | 72 72 m 1H | 69 68 d 1H J 79 | 41 40 m 1H | 39 39 s 2H | 19 18 d 2H J 57 | 15 15 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc(OC2CCCC2)ccc1Cl
ir: 2 2 3 3 3 2 3 2 2 2 2 2 2 2 2 3 3 7 7 6 3 4 4 2 2 2 2 2 2 6 22 10 4 2 2 3 2 2 2 2 4 11 10 3 2 2 2 2 2 2 2 2 2 3 6 5 3 2 2 3 3 2 2 2 2 2 2 4 4 3 2 2 2 3 3 3 2 2 2 2 3 4 2 2 2 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 3 2 3 3 3 3 5 4 2 2 2 2 2 2 2 2 2 3 3 2 3 2 2 3 2 2 2 2 2 2 18 3 2 2 2 2 2 2 2 2 2 2 8 3 2 2 3 8 3 3 2 1 2 5 20 8 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 3 3 4 1 6 14 5 3 2 1 2 2 2 2 2 1 2 2 2 2 2 2 3 23 2 2 1 1 2 2 1 1 3 3 0 0 100 3 4 3 1 1 3 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 74 74 d 1H J 87 | 74 73 d 1H J 27 | 69 69 dd 1H J 27 87 | 68 67 s 2H | 48 47 p 1H J 37 | 20 18 m 4H | 18 17 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN[C@H](C(=O)N1CC[C@H](OC)C1)c1ccccc1
ir: 1 1 1 1 1 1 3 6 1 4 4 11 2 1 1 1 1 1 1 1 2 2 3 9 7 1 1 1 1 1 9 10 7 13 5 3 2 2 3 2 23 3 7 34 13 3 5 1 2 2 5 12 8 9 3 14 3 2 4 2 2 2 3 18 9 2 8 2 5 3 6 2 2 5 3 6 3 4 3 8 3 2 1 1 1 1 1 1 5 3 2 9 1 2 2 2 2 2 1 1 1 2 1 3 2 5 3 2 2 4 4 2 4 10 22 82 13 6 5 11 13 12 4 6 8 5 1 2 3 10 5 6 5 3 27 3 2 1 1 1 1 1 4 5 3 3 5 29 4 1 1 1 3 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 2 1 1 2 2 2 2 2 2 4 4 9 75 12 2 2 1 2 2 1 1 2 2 1 0 2 2 1 0 3 8 11 100 6 0 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 m 2H | 74 73 m 3H | 47 46 m 1H | 46 45 dq 1H J 53 71 | 43 42 qq 1H J 16 34 | 38 37 m 1H | 37 36 ddd 1H J 53 71 123 | 36 34 m 2H | 33 32 d 3H J 15 | 25 24 dd 3H J 16 53 | 22 21 m 1H | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C[C@H](O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
ir: 4 1 1 1 2 5 2 2 7 6 1 2 1 5 3 11 2 1 1 1 2 1 1 1 4 1 1 6 1 1 1 6 2 6 4 4 13 24 84 4 2 2 4 2 5 1 1 1 2 1 1 3 5 41 97 72 4 1 15 3 1 2 4 2 2 4 35 17 9 4 2 5 3 1 2 2 1 1 2 2 3 3 9 6 10 17 9 32 13 13 8 4 7 3 2 2 15 5 3 15 3 1 1 3 1 1 1 1 2 3 3 3 5 2 1 1 2 4 2 11 10 13 6 3 1 2 2 1 1 8 7 5 21 22 6 2 0 3 10 4 2 38 1 2 3 4 9 62 8 26 4 10 2 2 1 0 1 3 3 1 4 2 5 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 4 3 2 2 4 5 2 2 2 4 4 11 8 15 22 11 51 45 14 17 5 8 6 13 26 100 19 6 6 3 2 1 2 2 5 3 2 5 6 13 3 3 2 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 d 1H J 89 | 76 76 d 1H J 7 | 75 75 d 1H J 21 | 74 74 dd 1H J 20 90 | 74 73 m 2H | 73 72 m 2H | 52 51 m 1H | 31 31 d 1H J 60 | 25 24 dd 1H J 46 141 | 23 22 dd 1H J 73 141 | 14 14 s 3H | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2nc(CBr)oc2c1
ir: 2 2 1 8 9 7 5 43 32 10 3 4 5 6 4 5 2 2 2 2 2 1 1 1 2 3 1 2 1 1 2 3 9 3 3 5 3 3 5 4 4 3 3 3 3 4 52 7 3 2 2 1 4 28 42 100 23 1 3 35 3 0 2 2 2 1 26 20 7 2 2 2 1 1 2 2 1 1 2 2 1 2 2 3 18 13 2 2 6 9 5 2 1 2 2 3 5 3 5 5 6 1 2 1 1 2 12 10 2 2 3 2 1 4 5 4 2 3 2 3 5 12 25 13 7 51 12 5 8 6 3 2 2 2 4 6 13 21 9 4 2 2 3 12 16 9 2 2 2 6 28 16 7 4 2 2 2 2 2 2 2 4 5 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 2 3 3 5 2 2 3 2 4 19 28 41 36 68 28 35 25 13 10 3 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 d 1H J 82 | 74 73 dd 1H J 22 81 | 73 73 d 1H J 22 | 47 47 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCCBr)C(O)CO
ir: 3 10 9 11 2 4 5 4 4 2 3 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 2 1 2 1 1 1 2 1 1 0 1 2 4 1 1 1 0 0 1 1 0 0 2 4 25 25 25 57 18 10 3 9 9 7 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 3 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 0 1 1 1 1 1 2 5 1 1 1 1 0 1 1 2 5 32 100 28 7 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 46 45 m 2H | 44 43 t 1H J 61 | 43 43 d 1H J 64 | 41 41 dt 1H J 55 63 | 40 40 dt 1H J 59 119 | 38 38 dt 1H J 58 118 | 37 36 t 2H J 36
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccc2cn[nH]c2c1)N1CCC[C@@H]1CCO
ir: 1 2 1 2 8 10 1 1 2 4 23 59 55 4 4 4 3 6 1 3 2 3 5 3 2 2 2 3 1 8 23 36 10 4 3 2 2 8 12 2 11 8 1 1 2 3 2 2 2 1 1 1 1 1 11 8 2 3 3 3 8 5 3 3 18 5 11 15 4 2 8 2 2 6 2 3 7 11 28 14 7 16 24 3 8 47 38 16 7 10 31 100 10 5 1 2 6 4 8 14 4 8 8 8 6 6 1 5 3 3 6 26 27 9 4 14 9 1 2 3 4 2 13 12 7 3 4 3 2 1 1 1 1 2 4 3 2 1 1 5 29 3 3 12 2 1 1 4 1 0 0 1 1 1 1 1 5 3 2 1 1 0 1 5 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 3 3 3 1 1 1 2 1 3 10 11 18 13 8 11 7 3 1 1 3 22 9 2 1 0 1 1 1 1 2 3 3 1 2 2 2 3 7 37 27 13 20 10 3 1 2 1 1 1 1 1 0 0 0 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 d 1H J 19 | 81 81 d 1H J 21 | 80 80 dd 1H J 20 95 | 78 77 dd 1H J 22 95 | 37 36 dq 1H J 59 118 | 36 35 m 2H | 33 32 dddd 1H J 18 37 55 126 | 30 30 m 2H | 20 18 m 3H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nc(Cl)nc2c1c(-c1cccnc1)cn2S(=O)(=O)c1ccc(C)cc1
ir: 2 5 5 5 11 6 3 5 2 7 5 12 21 14 7 8 2 3 5 5 9 4 2 2 3 32 4 1 1 3 5 0 10 2 3 2 4 6 5 3 41 6 3 1 1 3 2 1 1 2 1 0 2 5 1 1 3 3 2 1 6 3 7 3 3 4 2 4 8 3 9 2 2 1 1 1 2 2 2 1 7 4 2 4 20 2 1 1 3 2 1 1 1 3 5 1 2 2 6 3 2 2 0 1 1 1 0 1 2 3 1 7 21 2 2 1 4 6 1 3 3 3 0 4 2 9 11 4 2 2 1 2 22 2 1 2 2 2 1 35 2 3 4 6 1 2 3 9 2 2 2 6 100 0 6 4 3 81 2 3 2 1 5 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 2 2 9 4 7 4 6 1 2 3 4 0 2 1 1 1 1 2 1 1 1 2 1 1 5 5 7 5 24 5 4 4 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 91 91 d 1H J 21 | 87 86 dd 1H J 16 48 | 79 78 dt 1H J 19 84 | 78 77 m 2H | 77 77 q 1H J 48 | 75 75 s 1H | 74 73 dd 1H J 48 83 | 72 72 m 2H | 30 30 d 3H J 48 | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)ONCCC1CCN(c2ccncc2)CC1
ir: 4 7 5 6 1 3 2 3 4 3 4 4 0 3 4 3 4 4 3 1 1 1 1 1 0 1 3 2 1 2 2 5 5 4 4 1 3 2 2 0 1 1 2 1 3 2 4 1 2 8 4 3 3 1 6 2 5 2 11 5 12 12 8 11 30 14 7 4 5 5 14 29 20 4 5 4 3 5 2 4 4 2 2 3 2 2 5 3 6 2 1 1 2 2 2 3 2 2 4 11 9 6 1 2 4 4 2 3 12 26 100 14 27 5 1 3 7 6 4 4 5 4 2 2 3 4 1 4 5 7 7 4 4 2 1 1 1 2 0 1 1 1 1 1 3 6 83 25 64 31 2 3 2 1 1 1 2 1 1 2 4 6 5 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 4 2 4 3 3 2 3 2 3 4 11 7 22 11 13 10 15 2 0 2 1 2 1 1 1 1 1 1 2 2 2 3 4 18 11 22 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 m 2H | 65 64 m 2H | 53 52 t 1H J 41 | 35 34 m 2H | 33 32 m 2H | 30 30 td 2H J 41 55 | 19 18 m 2H | 17 16 m 6H | 16 15 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CC(c2cccc(OC(F)(F)F)c2)CN(C(=O)N2CCOCC2)C1
ir: 3 4 3 4 3 3 2 3 3 3 3 4 5 7 7 4 4 3 5 8 21 15 51 8 12 7 3 4 4 4 4 8 4 3 3 4 4 6 6 6 3 3 3 2 3 4 5 18 6 2 3 3 3 3 3 3 4 3 3 3 3 2 3 3 3 3 4 8 3 2 3 3 4 3 3 4 3 7 14 19 6 5 3 3 3 3 5 5 4 3 6 3 3 3 3 4 6 5 17 16 6 14 6 4 4 3 4 6 4 5 4 3 4 5 4 4 3 3 3 3 4 5 5 7 5 5 4 3 5 3 3 3 3 3 3 3 3 3 4 4 5 9 6 9 10 5 3 3 3 3 3 24 10 4 3 5 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 3 3 2 2 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 4 5 4 8 17 5 3 2 3 5 3 0 45 100 17 6 3 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 1H | 72 71 dt 1H J 12 71 | 70 70 dt 2H J 9 74 | 41 41 dd 1H J 52 118 | 39 38 ddd 2H J 53 116 178 | 37 36 dd 1H J 55 115 | 36 35 m 4H | 31 31 m 1H | 30 30 m 4H | 29 28 tt 1H J 55 77 | 23 22 dt 1H J 77 137 | 20 20 dt 1H J 76 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2ccccc2-c2c(C)noc21
ir: 1 2 2 1 1 2 6 1 1 2 5 10 1 5 5 2 8 10 3 5 1 1 4 0 1 1 2 2 5 3 1 0 2 2 5 1 0 2 1 0 5 2 3 59 4 1 1 1 1 1 3 2 5 3 6 56 7 1 3 1 1 2 1 5 5 1 2 1 5 14 3 1 2 1 1 4 4 10 3 2 1 1 1 0 3 2 3 1 0 0 1 1 1 1 2 2 4 1 2 2 4 1 1 1 2 1 3 3 17 29 2 4 4 3 0 2 3 3 13 25 12 2 1 6 2 2 6 3 3 1 2 2 4 2 4 4 52 2 2 5 2 7 22 14 5 5 5 10 5 21 2 10 1 7 1 0 1 1 1 0 1 6 5 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 2 0 1 2 1 1 3 1 1 1 3 4 3 12 13 13 31 100 12 6 2 5 1 0 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 dd 1H J 17 70 | 77 75 m 8H | 54 53 t 1H J 99 | 37 36 s 2H | 34 33 dd 1H J 99 165 | 32 31 dd 1H J 99 165 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C2CC=C(CCBr)C1C2
ir: 5 2 0 7 7 5 3 3 5 4 7 4 5 1 0 3 5 3 3 6 8 4 7 4 4 2 1 3 3 1 2 5 5 2 2 4 4 6 13 22 7 2 2 4 3 0 2 12 4 5 5 5 6 3 11 17 14 16 18 11 4 5 8 8 8 2 5 24 24 27 8 8 3 2 5 5 2 1 3 4 1 1 6 11 3 13 20 8 8 4 13 11 21 19 11 7 2 9 7 12 14 33 10 7 2 5 5 4 1 4 14 16 6 8 12 16 39 39 23 52 21 17 12 4 4 3 4 4 2 3 4 6 19 12 18 3 2 4 5 6 4 4 3 3 4 7 6 3 2 4 3 1 2 4 4 4 36 21 2 2 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 0 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 4 2 2 3 3 2 2 4 4 2 6 9 7 11 12 14 17 16 9 12 22 59 21 83 100 16 60 56 12 5 6 6 3 2 5 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0; 1HNMR: 56 56 dqt 1H J 11 24 59 | 36 34 m 2H | 26 25 m 1H | 25 24 m 1H | 24 23 m 1H | 23 22 m 1H | 20 19 m 3H | 15 14 ddd 1H J 60 81 95 | 11 10 dt 6H J 15 172
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2nnnn2-c2cccc(F)c2F)cn1S(C)(=O)=O
ir: 5 4 3 2 1 3 5 6 30 13 11 6 4 2 2 2 2 3 7 2 1 9 4 3 18 7 21 3 2 3 3 1 1 2 3 1 2 5 10 28 2 2 2 3 2 2 3 2 20 3 2 1 2 3 2 3 3 4 2 2 3 3 2 1 2 11 11 1 6 7 5 10 17 3 10 4 6 3 2 1 4 4 2 3 3 3 0 4 13 2 5 20 2 4 4 1 2 2 2 2 2 2 18 16 29 43 41 5 6 2 1 1 2 2 1 2 2 2 4 3 12 7 3 9 4 6 1 2 4 1 2 51 5 3 6 5 4 2 2 3 7 11 0 7 100 3 34 4 2 11 6 4 2 1 1 2 5 2 3 6 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 2 2 2 2 1 2 2 2 1 3 4 5 14 18 12 12 9 46 15 15 9 5 8 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 80 d 1H J 16 | 77 76 ddd 1H J 12 37 81 | 74 73 td 1H J 52 83 | 72 71 d 1H J 18 | 71 70 dddd 1H J 12 37 84 99 | 39 39 s 3H | 31 31 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3c[nH]c(N)n3)=CC[C@@H]12
ir: 3 4 2 1 3 1 2 2 1 3 3 4 1 2 3 2 20 6 3 4 5 3 4 8 2 5 3 1 2 4 6 1 2 5 8 3 7 4 2 7 10 5 11 6 6 8 13 4 10 15 13 6 49 11 9 22 8 15 14 18 4 26 15 14 5 9 13 6 15 5 9 8 16 10 68 6 20 3 5 3 5 5 5 5 11 2 4 9 37 11 5 14 20 22 15 4 8 5 9 20 44 8 9 13 24 12 17 31 5 58 30 12 24 16 0 9 17 22 79 26 32 18 23 42 20 10 29 34 20 22 16 8 26 18 24 14 9 7 8 5 7 3 3 12 59 50 22 7 6 3 2 3 3 1 1 2 1 1 7 1 1 1 1 1 1 0 1 1 1 0 1 4 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 2 2 1 1 3 4 4 6 15 20 30 21 27 20 14 20 15 22 56 100 86 47 33 15 34 16 10 7 2 7 17 54 25 7 19 19 25 25 17 10 23 5 8 7 24 18 5 5 7 8 8 5 4 2 2 4 4 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 87 87 d 1H J 51 | 75 75 d 1H J 49 | 71 70 s 2H | 61 60 td 1H J 16 65 | 54 53 tdt 1H J 9 18 49 | 33 32 dq 1H J 9 162 | 29 28 dq 1H J 9 161 | 25 24 ddd 1H J 57 82 152 | 24 23 m 2H | 22 21 ddd 1H J 50 66 149 | 21 19 m 3H | 18 16 m 3H | 16 15 m 3H | 15 14 m 1H | 12 12 s 2H | 11 10 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(=O)c2cc(I)c(Cl)cc2N1
ir: 2 2 4 6 2 4 13 4 4 3 3 3 3 4 7 6 5 5 4 4 3 3 3 3 3 4 5 3 2 3 3 2 5 12 4 7 3 3 21 40 12 18 16 10 15 7 4 3 3 2 2 3 3 8 3 3 3 9 15 2 2 3 2 2 3 4 4 5 23 5 3 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 3 4 3 11 2 2 3 3 7 2 2 2 4 8 27 4 2 5 3 3 2 2 3 3 3 5 8 6 7 6 7 4 4 3 3 4 5 8 3 2 3 3 2 4 32 13 3 5 4 3 3 4 10 3 2 2 2 3 3 2 2 3 4 11 18 10 100 22 8 3 2 4 3 0 57 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 8 4 5 3 3 3 2 3 6 8 4 9 15 5 3 3 2 2 2 3 2 2 3 3 2 2 2 2 3 3 2 3 4 8 12 17 20 22 16 9 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 95 94 s 1H | 81 81 s 1H | 78 78 s 1H | 32 31 t 2H J 88 | 27 27 t 2H J 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(Nc2ccccc2)OCC1=O
ir: 4 5 4 5 4 6 5 2 7 9 4 3 5 4 2 2 3 5 5 4 2 5 2 2 2 6 5 10 8 14 8 10 5 3 6 7 6 4 4 5 6 7 27 77 85 49 29 30 12 6 5 3 3 2 3 2 3 3 2 3 2 12 9 2 10 11 4 7 10 0 4 3 3 6 3 13 4 2 3 8 3 3 2 4 3 2 2 3 4 2 2 2 3 6 3 2 2 7 2 2 3 3 3 5 6 25 70 4 4 2 2 2 2 3 3 3 5 3 5 3 3 3 3 5 5 7 3 6 26 35 3 3 3 9 19 14 3 2 5 7 3 2 5 7 3 6 34 34 8 16 29 53 9 4 5 4 4 8 10 3 3 4 14 100 17 21 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 4 4 2 2 3 4 3 4 10 12 14 44 20 6 8 5 4 3 3 2 4 3 2 2 3 3 3 3 3 4 6 10 8 17 62 57 17 15 12 8 7 5 4 5 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 78 s 1H | 74 73 m 4H | 69 68 tt 1H J 13 68 | 47 46 s 2H | 43 43 q 2H J 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCCN1CCc1cc2cc(-c3cccc(C#N)c3)ccc2o1
ir: 0 1 2 3 0 2 5 4 4 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 7 3 16 40 8 3 2 1 1 1 3 4 6 3 2 7 24 10 3 0 1 2 12 18 5 2 3 1 1 1 1 1 2 2 2 11 10 12 3 1 6 16 2 2 3 0 1 5 8 8 5 3 6 2 2 2 3 3 2 2 3 5 3 1 1 3 2 3 7 9 14 4 2 1 1 1 1 1 1 2 1 1 0 2 2 5 6 3 3 3 4 4 2 4 4 2 3 3 4 4 2 2 1 1 2 2 3 17 4 3 5 2 1 1 0 1 1 1 4 2 3 7 2 2 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 1 2 2 4 1 1 1 2 5 8 8 4 15 100 41 14 7 1 3 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 t 1H J 22 | 78 78 t 1H J 22 | 78 77 ddd 1H J 12 21 68 | 77 76 ddd 1H J 13 22 64 | 76 75 m 2H | 75 75 d 1H J 73 | 67 67 m 1H | 30 29 m 1H | 29 27 m 5H | 26 26 m 1H | 18 16 m 3H | 16 15 ddt 1H J 51 65 117 | 11 10 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cnc(CBr)cn1
ir: 7 7 7 7 7 8 10 17 9 8 8 11 13 37 24 10 8 10 15 8 8 7 7 7 7 7 7 9 7 7 7 7 8 8 8 7 8 11 8 7 7 7 7 7 7 7 7 7 7 11 7 7 7 7 7 7 7 8 7 7 7 7 7 8 7 7 7 7 7 8 34 10 11 10 9 21 7 7 7 7 7 7 7 7 7 7 7 17 8 7 7 7 7 8 8 25 6 7 8 8 7 7 12 14 8 7 8 7 8 12 21 12 7 8 7 7 9 8 9 8 8 11 7 9 8 7 6 8 11 8 6 8 10 5 2 100 0 10 10 6 6 9 8 6 6 8 7 6 6 8 7 6 10 8 7 6 7 7 8 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 9 8 7 7 7 7 7 7 14 17 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 83 82 t 1H J 9 | 78 78 s 1H | 45 44 d 2H J 9 | 43 43 q 2H J 67 | 14 13 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCC(Cc2ncn3c2CCc2cc(O)ccc2-3)C1=O
ir: 1 1 1 2 2 2 1 2 1 2 3 2 1 1 1 1 1 1 1 1 1 2 2 3 2 1 2 1 1 1 1 2 1 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 3 2 1 2 1 1 1 1 1 0 1 2 1 2 2 1 1 1 1 1 1 1 2 2 1 4 4 9 6 3 2 1 1 1 4 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 2 2 1 1 1 0 3 2 3 1 2 3 1 2 2 0 2 2 3 2 2 3 2 2 2 1 2 1 0 1 2 1 0 0 1 1 1 2 1 1 1 1 9 2 3 2 4 3 100 4 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 3 4 2 2 14 2 2 1 1 0 1 2 36 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 s 1H | 74 73 d 1H J 87 | 69 68 dd 1H J 22 86 | 67 66 s 1H | 64 64 dt 1H J 9 20 | 40 39 m 1H | 38 37 m 1H | 35 34 p 1H J 68 | 31 29 m 6H | 28 28 dd 1H J 68 152 | 21 19 m 2H | 18 17 dddt 2H J 51 67 88 125 | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccccc1)c1ccc2c(c1)O[C@@H](CO)CC2
ir: 2 3 2 11 11 6 2 3 5 6 2 8 10 7 2 3 3 22 6 2 9 3 2 2 2 4 1 2 3 3 3 3 3 2 2 5 2 13 2 4 21 2 1 2 2 3 3 2 1 0 2 3 3 9 5 5 3 1 2 2 2 1 4 5 20 3 3 4 5 1 2 2 1 2 3 21 2 4 8 4 1 13 3 3 45 68 15 76 10 5 7 5 2 53 7 5 2 6 4 4 2 2 5 3 1 1 1 2 1 1 2 1 1 6 3 1 1 3 2 4 5 8 10 3 5 2 2 1 2 8 2 3 2 5 5 68 4 2 4 1 1 4 10 45 6 1 2 1 2 4 4 1 2 3 2 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 0 1 1 2 2 2 2 1 1 1 2 2 1 1 2 2 2 2 2 2 3 3 6 17 18 20 100 20 14 5 2 3 6 4 55 40 1 1 3 1 0 1 1 0 0 2 2 1 0 1 2 1 0 2 1 0 0 1 1 1 1 2 1 1 2 2 1 1 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 78 dt 2H J 12 79 | 76 75 m 4H | 73 72 d 1H J 22 | 72 71 dt 1H J 9 94 | 43 42 m 1H | 40 39 m 1H | 37 36 m 2H | 29 28 dddd 1H J 8 62 88 149 | 28 27 dddd 1H J 7 62 88 148 | 22 21 dddd 1H J 38 62 90 139 | 19 18 ddt 1H J 63 88 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(C(F)(F)F)c(Br)c1
ir: 1 2 3 1 1 2 3 2 1 2 2 1 2 2 3 1 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 4 7 1 2 1 1 1 2 1 1 1 2 16 18 12 3 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 3 2 1 2 2 1 1 3 2 1 12 2 2 2 2 5 7 1 1 2 1 1 1 2 1 1 2 2 8 6 2 2 1 1 5 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 8 11 4 4 3 2 2 2 1 1 2 3 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 2 8 1 100 11 0 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 ddt 1H J 25 50 71 | 74 73 dd 1H J 22 121 | 71 71 ddd 1H J 22 72 101
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(OCC)c1nn(C(=O)OC(C)(C)C)c2cnc(Br)cc12
ir: 5 9 6 2 3 11 7 13 2 19 15 23 5 7 7 3 1 3 3 2 2 2 1 10 20 16 16 19 10 6 5 2 2 5 2 1 1 2 2 1 4 1 5 1 1 0 1 1 2 2 1 1 1 1 2 2 1 1 2 8 2 8 11 4 3 2 7 14 13 9 5 6 5 7 13 13 6 14 16 37 69 4 1 2 4 10 2 2 1 1 1 1 1 4 2 7 5 11 1 1 1 1 1 3 2 4 6 3 9 31 37 13 5 7 4 4 8 6 13 7 4 4 6 15 1 9 15 17 25 32 100 14 12 16 6 4 1 1 1 1 1 0 3 13 1 1 1 2 26 5 3 40 5 3 5 14 1 1 1 0 0 1 2 2 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 4 3 2 2 2 1 1 2 1 2 3 4 3 5 12 27 15 7 4 33 1 3 2 2 1 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 81 81 s 1H | 63 62 s 1H | 38 37 dq 2H J 60 113 | 37 36 dq 2H J 61 113 | 16 15 s 8H | 13 12 t 7H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC1CN(Cc2ccccc2)c2cc(N)ccc2O1
ir: 3 6 10 4 2 1 2 2 1 1 1 2 2 2 1 1 1 0 0 1 1 1 1 2 2 1 1 1 1 2 2 6 2 0 1 2 1 1 2 11 1 3 1 0 1 1 0 1 1 0 1 1 2 2 11 5 1 0 1 1 1 0 1 1 2 2 3 6 2 1 1 2 1 0 1 1 1 1 2 4 3 1 1 1 1 1 1 1 3 4 1 1 2 1 1 1 1 2 1 5 2 1 1 1 1 1 3 6 6 1 2 1 1 0 1 0 0 1 2 2 1 2 2 1 1 1 1 1 2 2 1 1 1 2 1 5 4 1 1 0 0 1 2 3 3 29 2 1 2 1 2 2 1 4 18 4 8 52 8 4 1 1 0 1 3 13 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 0 1 2 1 0 2 5 5 4 4 21 10 4 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 16 8 2 1 1 0 0 0 0 1 0 2 100 27 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 6H | 67 66 d 1H J 86 | 65 64 dd 1H J 22 86 | 61 60 d 1H J 22 | 52 51 tt 1H J 40 68 | 47 46 s 2H | 46 45 m 2H | 39 38 dd 1H J 40 123 | 37 37 s 2H | 36 36 dd 1H J 40 123 | 30 29 dd 1H J 69 168 | 28 27 dd 1H J 69 168
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c[nH]nc1O
ir: 2 3 9 8 2 1 1 3 4 3 4 4 1 2 1 1 0 1 1 1 0 1 1 2 2 1 1 1 1 1 2 12 14 12 2 2 1 1 1 0 1 1 2 1 1 1 1 4 5 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 5 6 7 2 2 1 1 1 11 7 1 1 1 1 2 1 0 1 1 1 0 0 1 1 0 1 5 1 1 2 2 1 0 1 1 1 0 1 1 1 1 1 3 7 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 4 2 1 1 1 2 23 2 2 3 11 9 2 1 5 9 1 1 0 0 1 1 4 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 2 2 9 4 1 1 1 100 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 5 7 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 95 d 1H J 38 | 81 81 d 1H J 38 | 44 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccnc2c(O)ncnc12
ir: 2 2 3 2 2 3 3 3 6 6 16 30 7 3 22 4 3 5 6 11 6 3 3 2 4 5 12 2 6 21 57 19 8 4 3 4 3 4 3 5 13 1 2 3 3 3 3 3 3 2 3 9 3 2 2 3 11 4 3 4 2 2 3 4 3 2 3 3 3 3 5 4 3 4 8 6 4 12 11 9 7 6 4 3 3 3 3 3 3 3 22 4 19 13 5 3 3 3 14 6 2 2 3 3 2 2 4 3 2 2 3 2 1 2 7 2 68 3 0 2 4 3 4 55 6 3 4 18 2 2 2 2 2 2 2 3 3 13 3 2 2 2 3 3 3 6 3 2 3 3 3 6 3 3 4 21 4 7 32 4 9 29 3 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 3 3 8 4 4 3 2 3 5 8 100 6 1 3 3 2 2 2 3 2 16 3 3 2 2 2 3 2 2 3 2 2 3 15 18 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 d 1H J 55 | 82 82 s 1H | 81 81 s 2H | 80 79 d 1H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NN1CCCC1)c1ccc(OCc2c(-c3ccc(F)c(F)c3)noc2CO)nc1
ir: 8 4 6 11 12 7 4 3 5 4 5 6 5 4 4 4 6 5 3 5 3 2 4 5 5 2 5 5 4 6 3 3 3 2 3 12 4 2 6 5 22 34 62 100 9 5 3 2 5 5 5 5 4 15 35 25 5 4 2 2 3 2 4 5 3 3 4 11 17 19 17 4 2 2 4 1 2 2 2 2 2 1 4 9 6 2 5 13 26 41 5 18 15 20 14 15 7 11 4 5 3 1 2 2 3 9 4 6 0 4 13 4 1 8 4 2 3 1 4 3 6 4 5 21 6 10 9 3 3 3 3 4 5 7 4 6 4 57 5 4 4 3 6 7 3 12 16 62 29 12 27 19 16 10 10 8 3 1 2 4 3 2 50 1 0 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 5 5 4 7 3 3 3 2 7 5 12 21 24 25 24 8 9 4 18 78 85 54 26 5 6 5 3 1 2 2 6 6 3 6 7 3 12 10 24 5 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 97 97 s 1H | 85 85 d 1H J 19 | 80 80 dd 1H J 19 81 | 75 73 dddd 2H J 22 37 121 255 | 73 72 td 1H J 47 99 | 70 70 d 1H J 82 | 54 54 s 2H | 48 47 d 2H J 65 | 42 42 m 1H | 29 28 m 2H | 29 28 s 3H | 19 18 p 4H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(N2CCCC2=O)ccc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1
ir: 3 5 3 3 4 3 2 3 3 5 3 4 3 3 4 5 4 6 5 5 5 5 6 8 12 4 5 4 6 3 4 5 5 8 8 5 12 21 16 28 17 7 9 2 10 7 4 4 4 4 8 6 4 4 8 24 12 7 7 4 4 5 7 3 2 2 4 3 12 9 3 3 2 2 2 3 2 2 5 8 6 6 4 3 4 6 5 10 18 11 4 4 6 7 8 9 9 4 5 4 3 6 4 3 4 6 6 3 3 3 4 6 10 7 4 6 5 3 5 24 18 11 5 5 6 7 6 4 6 4 3 7 9 11 18 7 5 4 8 33 100 14 14 3 11 39 28 25 11 22 25 10 35 33 22 14 5 3 5 54 17 12 3 2 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 3 2 2 3 4 3 5 3 3 3 8 7 6 8 10 9 17 27 6 6 6 5 2 3 3 2 2 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 80 80 m 1H | 78 77 d 1H J 79 | 72 72 m 1H | 72 71 d 1H J 77 | 38 38 t 2H J 50 | 37 36 m 4H | 35 35 dd 4H J 46 57 | 29 28 pd 1H J 7 63 | 28 27 m 1H | 26 25 m 4H | 21 20 p 2H J 53 | 14 13 m 2H | 11 10 m 4H | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCON[C@H]1CN[C@H](C(N)=O)C=C1COC
ir: 2 1 2 4 5 2 1 3 2 2 11 11 10 4 7 2 2 2 19 19 5 3 7 4 10 5 4 12 27 17 5 4 14 31 6 4 3 1 2 2 2 1 1 6 5 4 2 1 3 8 7 3 4 7 14 15 9 14 34 18 17 7 9 5 8 6 9 11 8 7 8 6 7 6 4 3 8 12 10 17 3 1 2 2 1 1 2 1 1 1 2 5 2 1 3 3 6 2 2 3 3 6 4 5 3 33 5 13 5 2 3 4 6 2 3 5 3 11 9 26 12 21 26 6 2 4 6 3 5 3 1 2 1 2 4 3 6 6 4 2 2 2 2 3 1 6 12 0 1 2 1 1 1 2 2 2 11 26 9 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 3 7 4 6 5 7 8 13 12 4 3 5 3 2 4 4 2 2 2 1 1 1 1 2 2 9 26 30 54 12 1 1 2 1 1 2 3 2 23 100 5 1 3 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 69 69 s 2H | 61 61 dq 1H J 15 57 | 58 57 m 1H | 53 52 ddt 1H J 13 25 166 | 52 51 m 1H | 47 47 d 1H J 66 | 43 41 m 4H | 40 39 dt 1H J 12 141 | 36 36 ddtd 1H J 11 18 46 64 | 33 33 s 2H | 33 32 q 1H J 62 | 32 31 ddd 1H J 18 60 123 | 29 28 ddd 1H J 46 60 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(C2(c3ccccc3)CCNCC2)cc1
ir: 3 1 1 2 3 3 1 2 3 2 1 3 6 4 5 6 5 6 49 4 4 2 14 15 3 3 2 2 3 2 4 15 9 10 23 7 2 2 3 18 9 3 26 12 58 2 4 13 47 9 7 17 11 18 20 11 11 8 18 25 5 2 19 4 8 11 5 14 14 17 20 19 4 1 5 5 3 2 3 4 2 1 3 3 2 2 6 7 2 2 5 7 2 3 4 5 4 3 10 3 0 1 3 3 0 1 4 2 0 2 8 4 6 20 52 44 78 18 12 7 3 4 5 4 5 10 29 30 26 6 10 17 8 9 17 36 10 6 4 2 2 4 6 8 12 51 33 5 24 15 5 4 3 7 19 2 2 3 2 1 2 3 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 2 3 3 5 3 1 2 3 3 2 5 7 13 11 38 100 99 35 11 12 6 4 3 5 3 1 3 3 2 1 2 3 2 2 48 71 18 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 73 72 m 5H | 73 72 m 2H | 72 71 m 2H | 38 37 p 1H J 35 | 31 30 ddt 2H J 32 57 137 | 29 28 m 2H | 23 22 ddd 2H J 29 57 145 | 20 20 ddd 2H J 30 57 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCCC=C1c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1
ir: 7 12 2 2 3 13 3 2 2 8 0 3 4 2 6 3 2 3 8 2 2 2 1 8 3 1 5 4 2 4 4 3 11 21 5 7 6 10 9 17 21 72 55 12 34 26 9 4 13 7 15 9 5 7 47 29 11 11 5 6 10 11 2 8 7 3 6 15 36 15 5 5 2 5 8 6 31 8 2 3 8 2 5 6 3 6 6 5 11 10 19 12 8 32 5 2 4 2 7 3 3 2 4 25 16 3 4 21 6 5 4 5 4 11 4 4 6 3 6 9 23 20 4 7 3 12 14 18 6 14 20 14 6 7 4 2 5 11 41 37 16 10 15 51 63 12 32 22 38 13 23 19 17 11 15 7 3 2 2 16 3 3 4 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 3 3 3 6 4 7 5 5 5 3 3 5 28 48 2 73 100 60 64 35 35 11 5 4 3 2 2 2 2 2 1 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 81 | 74 74 d 1H J 21 | 73 72 td 1H J 17 74 | 72 72 m 2H | 72 71 dd 1H J 22 81 | 71 70 td 1H J 15 74 | 68 67 ddt 1H J 9 18 49 | 64 63 ddt 1H J 9 18 71 | 61 61 dd 1H J 48 71 | 61 60 m 1H | 52 51 d 2H J 9 | 51 50 d 2H J 9 | 21 21 m 2H | 17 16 m 4H | 11 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc([N+](=O)[O-])c(Sc2nccs2)s1
ir: 15 71 46 20 2 5 4 4 5 7 5 4 12 3 3 3 4 4 7 3 3 3 3 3 3 3 3 11 3 6 10 5 4 6 59 8 4 4 4 4 3 3 6 4 16 4 9 4 4 3 8 9 11 9 4 4 3 2 3 4 4 21 7 3 4 4 7 26 20 13 16 6 9 5 30 9 4 8 14 7 5 4 3 3 5 4 6 3 8 94 17 5 2 4 10 12 4 22 8 4 3 4 3 4 4 6 1 100 22 19 14 5 4 5 7 5 2 7 7 5 4 5 5 4 4 7 9 19 24 28 36 12 3 5 4 3 2 4 4 3 6 20 6 3 4 4 4 0 68 3 4 3 4 4 3 19 5 4 3 3 3 0 16 3 3 4 4 2 3 3 3 3 3 3 3 10 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 5 4 6 9 7 3 4 4 5 4 2 6 6 8 10 7 10 10 11 15 28 67 63 6 6 5 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 81 81 s 1H | 76 76 d 1H J 38 | 71 70 d 1H J 38 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC12CC3CC(C1)C(=O)C(C3)C2
ir: 1 3 4 5 3 7 4 1 2 3 3 2 2 4 5 1 1 5 4 4 1 2 2 1 1 4 3 2 2 3 3 1 2 3 3 1 1 3 2 1 1 3 2 0 1 4 3 1 2 4 4 0 3 3 6 9 14 29 74 34 36 14 4 3 3 8 6 6 2 2 4 8 14 4 2 1 2 2 1 1 2 2 1 2 4 4 20 14 17 4 7 4 7 3 1 2 7 3 1 4 5 3 1 2 5 4 2 4 7 3 5 7 11 4 2 2 8 16 10 4 4 6 3 15 6 15 6 8 9 9 5 4 5 11 45 63 12 8 4 2 2 2 2 3 12 6 8 3 3 1 2 2 2 2 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 4 3 5 4 3 7 8 6 11 11 11 4 1 2 2 1 1 2 2 1 1 2 2 3 10 36 55 28 11 8 4 5 13 40 25 100 12 4 4 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 24 23 tt 2H J 49 59 | 23 23 s 2H | 21 20 m 5H | 18 18 m 4H | 17 17 d 2H J 47
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)c1ccc(C(C)(C)C)cc1Cl
ir: 2 3 1 1 2 0 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 7 9 11 12 4 0 0 4 12 22 12 11 4 2 2 2 2 2 6 42 18 13 8 3 2 9 4 2 1 1 1 1 2 10 7 2 3 2 1 2 2 1 1 1 3 4 4 3 1 2 1 1 1 1 1 4 4 1 1 0 1 1 1 1 2 2 0 0 1 1 1 1 1 1 0 1 1 2 5 1 1 1 1 2 2 2 1 2 2 7 17 18 10 4 2 3 1 3 7 8 1 4 2 1 5 18 7 4 5 2 7 5 4 21 5 2 1 1 1 3 3 8 35 100 11 14 9 3 15 18 22 11 7 14 4 1 1 1 1 2 4 17 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 1 1 1 1 1 1 0 1 3 3 14 16 16 22 16 16 6 2 2 1 0 1 2 1 1 2 1 1 1 2 2 1 2 3 5 7 9 11 18 41 21 15 12 6 1 1 2 0 1 1 1 1 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 82 | 74 73 m 2H | 71 70 t 1H J 42 | 34 34 qd 2H J 42 62 | 14 13 s 8H | 13 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCc1ccc2c(c1)CC(C(NC(C)=O)(C(=O)OCC)C(=O)OCC)C2=O
ir: 4 5 7 5 19 10 8 17 0 12 8 7 3 2 8 6 2 2 3 2 2 3 2 1 1 4 2 3 4 2 7 3 1 8 6 4 4 12 11 23 11 19 7 6 7 7 11 7 3 4 3 4 3 5 5 6 2 1 1 2 1 2 3 3 3 4 5 1 9 4 4 4 5 5 8 7 3 21 4 1 1 2 1 2 8 3 1 3 3 3 4 6 5 4 3 3 7 4 11 6 9 2 1 2 11 4 6 6 4 3 9 30 5 12 8 5 4 7 34 23 17 9 12 3 4 5 5 7 9 5 4 8 6 2 2 3 16 5 3 5 4 4 8 72 59 100 23 6 19 6 2 16 2 4 3 2 1 0 1 1 1 11 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 3 3 1 1 4 4 4 3 4 4 2 4 10 5 6 10 5 6 36 13 4 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 3 4 11 29 14 37 12 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 d 1H J 85 | 73 73 s 1H | 71 71 dq 1H J 8 17 | 71 70 ddt 1H J 9 20 84 | 51 50 t 1H J 67 | 43 42 m 4H | 30 29 ddd 1H J 9 68 158 | 27 26 ddd 1H J 9 68 158 | 26 25 tt 2H J 8 78 | 20 20 s 2H | 16 15 m 2H | 13 12 m 10H | 12 12 t 6H J 61 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=CC=O)CC3)c(F)c2)C(=O)O1
ir: 4 4 4 7 10 2 1 8 5 7 8 3 7 2 3 3 3 1 2 2 5 3 1 1 2 4 4 2 5 11 17 21 6 10 13 3 5 5 3 1 1 1 3 2 2 1 1 1 0 1 1 0 1 2 14 6 3 4 2 1 1 1 1 3 3 2 2 17 10 10 12 6 4 1 5 8 9 11 29 12 3 2 16 8 4 3 1 2 1 4 2 3 2 1 1 5 4 3 5 9 4 3 1 2 3 8 12 12 10 7 4 2 1 3 5 2 5 3 4 4 3 7 4 4 7 9 6 8 0 6 10 4 2 2 3 3 1 2 1 1 3 4 5 12 21 100 18 6 5 11 70 31 10 14 6 5 2 1 1 1 1 1 2 8 5 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 3 1 1 1 3 2 2 2 2 1 4 5 3 3 9 7 18 50 7 4 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 7 9 12 13 9 17 11 7 3 3 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 98 97 dp 1H J 9 70 | 75 74 dd 1H J 21 122 | 73 72 t 1H J 69 | 72 71 dd 1H J 21 80 | 70 70 dd 1H J 47 80 | 60 59 dp 1H J 9 70 | 47 47 m 1H | 42 41 dd 1H J 16 129 | 38 37 dd 1H J 35 131 | 36 35 ddd 1H J 41 68 133 | 35 34 t 4H J 44 | 34 33 ddd 1H J 42 69 134 | 27 25 qt 4H J 10 42 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C=O)Cc1ccncc1
ir: 0 1 2 3 6 5 3 2 1 2 2 2 6 5 2 1 1 3 4 3 1 3 5 21 4 2 1 1 1 2 1 1 4 5 2 1 1 2 1 2 3 1 1 1 3 4 3 5 3 5 3 3 3 3 2 1 1 2 1 1 2 6 15 11 11 7 3 2 2 3 4 3 9 19 10 2 3 3 2 1 2 2 1 1 2 2 1 1 2 10 3 3 4 3 1 3 2 2 3 3 6 3 8 10 2 2 3 2 2 2 0 9 3 1 0 1 2 2 4 3 5 5 5 8 4 1 2 1 3 5 3 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 14 14 7 9 7 3 0 1 2 2 0 1 54 100 5 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 5 1 1 2 2 1 2 2 1 1 1 4 2 3 11 8 15 44 16 3 4 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 dh 1H J 10 20 | 85 85 m 2H | 71 71 dt 2H J 9 42 | 28 28 q 2H J 9 | 12 11 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nnc(NC(=O)N2CCN(C(=O)c3cccc(OCCC4CCCCC4)c3)CC2)s1
ir: 3 2 2 2 2 4 3 2 1 2 1 2 7 3 2 2 1 1 2 1 1 3 2 1 2 4 2 2 2 6 4 2 4 3 5 7 31 10 9 2 9 8 20 43 14 9 55 81 19 16 5 6 4 3 2 2 3 3 3 3 3 4 2 1 2 3 3 2 4 7 7 4 3 3 2 1 2 2 1 2 2 3 0 20 2 1 1 1 2 4 1 1 2 1 1 1 2 2 1 3 3 3 3 2 1 16 5 5 4 3 5 9 17 12 3 13 15 6 8 11 8 6 12 5 4 5 9 6 5 3 2 2 4 3 3 6 21 14 2 4 4 6 2 4 4 3 7 100 10 6 44 13 62 7 5 2 5 1 1 2 1 2 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 2 5 5 3 3 3 1 2 4 2 7 16 10 6 8 13 4 2 2 2 3 2 1 1 2 1 0 1 1 1 0 1 1 2 1 3 8 5 14 13 9 3 2 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 ddd 1H J 10 21 82 | 74 74 t 1H J 82 | 73 72 t 1H J 20 | 70 69 ddd 1H J 9 18 81 | 40 40 t 2H J 59 | 37 36 m 8H | 28 27 s 2H | 18 16 dh 1H J 59 70 | 16 16 q 2H J 60 | 15 14 m 7H | 14 12 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CN1CCCCn2c(c3c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC3)C1=O
ir: 3 4 6 9 8 10 7 8 8 7 7 12 17 12 32 14 15 11 13 7 22 33 15 21 11 8 4 9 5 4 3 4 5 5 5 8 25 23 30 7 11 6 11 11 4 47 20 51 11 9 12 11 10 7 8 18 6 2 6 5 5 5 6 5 4 4 4 10 5 3 5 4 5 4 7 14 9 31 35 17 19 3 19 14 16 8 16 9 6 4 3 3 6 7 3 6 10 6 17 9 27 14 4 8 20 6 6 5 3 6 4 4 7 9 14 11 19 19 11 14 9 13 4 7 12 9 6 6 13 6 4 5 5 5 7 8 5 5 5 22 4 4 5 100 21 7 3 6 9 1 61 19 11 4 3 3 3 0 70 1 3 4 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 7 3 5 4 3 4 4 4 9 12 8 16 60 16 51 22 13 8 4 3 4 5 13 5 4 3 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 90 90 s 1H | 74 74 ddt 1H J 9 20 31 | 73 72 dddd 1H J 10 21 39 76 | 71 70 dd 1H J 81 101 | 46 46 d 2H J 9 | 41 41 s 2H | 40 40 t 2H J 64 | 36 35 t 2H J 62 | 35 34 m 2H | 28 27 m 2H | 18 17 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc3nnn(Cc4ccc5[nH]c(=O)ccc5c4)c3n2)ccc1C(=O)O
ir: 18 6 4 4 5 8 10 8 2 3 5 8 8 10 6 6 7 9 13 14 14 43 84 45 19 12 10 9 6 4 3 6 5 4 7 5 4 3 5 13 34 7 6 4 30 24 11 6 9 8 5 13 15 47 32 15 7 6 3 2 2 3 3 3 2 4 3 4 8 4 4 21 10 11 10 4 6 25 10 6 5 7 5 4 3 4 4 5 4 8 6 11 6 3 3 3 2 5 38 13 9 6 5 3 2 5 3 3 2 23 4 3 3 3 2 4 6 7 5 5 5 7 8 13 15 8 7 3 4 4 3 3 5 13 5 5 10 6 7 16 12 3 4 8 4 6 3 6 8 28 17 16 25 20 11 10 7 4 36 42 9 5 3 2 2 24 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 2 2 3 4 3 2 4 7 12 4 45 34 21 24 13 9 4 4 5 8 13 100 4 0 3 4 2 1 3 4 2 2 5 5 8 19 13 21 7 4 5 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 d 1H J 80 | 80 78 m 3H | 78 78 m 2H | 76 76 q 1H J 11 | 74 74 ddt 1H J 8 19 68 | 73 72 d 1H J 72 | 65 64 d 1H J 99 | 58 57 t 2H J 9 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21)NC1CC1
ir: 4 4 6 7 4 8 4 6 14 6 9 3 9 5 5 6 7 12 24 24 4 7 12 9 5 2 16 17 10 23 45 19 28 13 4 8 10 8 12 11 33 19 23 30 31 19 9 6 10 9 9 15 50 89 41 66 21 14 6 10 9 3 4 5 3 3 5 9 41 15 5 2 8 6 4 2 4 8 10 3 2 7 4 7 9 6 10 25 35 44 51 27 15 6 6 21 13 27 17 11 8 5 5 2 4 2 3 9 12 7 3 3 9 3 1 2 4 1 2 7 3 5 8 10 16 8 7 9 8 8 9 6 4 6 4 4 8 25 33 100 20 18 36 11 12 11 14 26 85 30 7 11 42 3 6 3 4 2 3 3 21 13 13 9 20 5 4 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 0 1 2 1 1 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 3 3 5 4 3 3 2 3 4 7 10 14 10 19 36 26 7 8 8 4 6 12 71 14 5 2 4 2 2 3 3 2 2 2 6 9 12 55 56 25 17 9 5 15 6 4 4 4 3 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 dt 1H J 9 17 | 80 80 t 1H J 61 | 78 77 dt 1H J 8 17 | 73 72 ddt 2H J 9 35 81 | 71 70 m 3H | 56 55 t 1H J 56 | 48 48 s 2H | 40 39 p 2H J 9 | 36 36 dt 2H J 48 57 | 35 34 dt 2H J 49 60 | 30 29 dp 1H J 49 77 | 9 8 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C=N[C@@H]1C[C@H]1c1ccccc1
ir: 3 2 3 2 5 5 4 4 2 3 4 9 6 4 3 4 6 3 3 7 3 6 6 4 4 2 3 3 4 3 3 7 11 5 8 9 4 4 8 19 12 12 19 15 2 3 3 3 2 2 1 3 2 1 1 2 1 0 1 2 1 1 2 2 2 1 2 3 8 3 2 2 2 1 1 3 2 2 1 1 1 1 1 6 2 3 12 5 1 0 1 4 3 1 1 3 1 1 1 3 1 2 3 2 2 10 5 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 35 3 2 3 3 3 2 7 100 8 2 3 2 2 10 4 9 1 1 1 1 1 5 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 5 5 5 81 30 2 3 6 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 5 4 6 6 8 21 64 31 7 7 3 3 2 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 73 72 m 5H | 31 31 m 1H | 30 29 td 1H J 67 76 | 22 21 dt 1H J 67 77 | 21 20 dt 1H J 67 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1OC(=Nc2ccccn2)c2c1nc1c(C(F)(F)F)cccc1c2O
ir: 5 4 3 6 4 3 6 5 6 6 4 8 4 9 11 5 5 10 4 7 4 3 4 9 10 3 2 4 4 3 4 4 3 2 5 5 8 2 4 6 6 12 10 4 5 11 41 9 4 1 3 3 3 6 12 5 5 7 4 4 5 2 3 2 6 1 2 3 2 5 4 4 4 5 8 5 2 4 7 6 4 9 4 5 5 5 13 20 6 4 15 24 12 6 11 12 14 12 5 40 8 4 3 2 2 2 1 3 9 17 7 5 4 5 2 2 4 15 19 3 2 3 2 2 2 2 3 2 4 2 4 3 4 14 16 8 9 11 17 3 7 7 5 2 3 3 13 20 4 56 7 3 2 7 21 16 8 21 6 6 17 3 3 5 13 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 2 2 2 1 2 2 2 2 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 2 2 5 2 2 4 8 7 16 27 17 6 8 12 8 100 39 7 4 5 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 dd 1H J 16 35 | 81 81 dd 1H J 12 85 | 80 80 dp 1H J 13 115 | 77 77 ddd 1H J 16 68 77 | 75 75 dd 1H J 86 114 | 72 71 m 2H | 59 59 q 1H J 46 | 18 18 d 3H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H](C)[C@H](C)OC
ir: 28 52 62 28 14 16 22 12 5 13 21 20 19 8 7 9 16 6 3 6 4 2 2 3 4 1 1 8 38 9 24 2 1 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 6 5 4 5 3 5 8 6 7 6 3 3 3 14 6 19 20 25 13 15 35 39 36 25 32 43 92 48 31 7 14 25 16 19 7 6 3 3 4 3 3 5 4 4 4 12 18 51 11 9 9 2 17 23 16 14 5 7 4 5 5 7 7 31 25 36 28 48 22 35 20 20 7 8 12 10 12 23 29 17 16 63 64 16 7 4 5 5 4 1 5 5 3 20 53 100 82 11 1 2 4 3 0 1 3 2 1 2 3 2 0 1 2 2 0 1 2 2 1 1 3 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 4 11 17 13 14 4 4 5 9 5 9 16 10 17 24 32 60 31 16 4 5 3 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 42 41 qd 2H J 38 63 | 40 39 m 1H | 33 33 d 3H J 15 | 26 25 m 1H | 13 12 m 6H | 12 11 dd 3H J 15 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCc1ccc(Oc2nc3ccccc3s2)cc1
ir: 10 12 4 1 6 2 2 2 2 4 6 3 2 2 4 11 8 4 3 2 2 2 1 2 1 1 2 2 4 3 1 1 1 1 1 1 1 2 1 1 1 3 4 86 3 1 0 3 2 4 1 2 7 7 22 34 6 1 4 3 1 1 2 1 1 1 1 2 7 19 2 2 1 1 1 2 1 1 1 1 1 0 1 1 3 5 6 2 2 1 1 1 1 1 1 2 12 7 2 2 20 4 3 4 2 5 3 2 0 2 9 2 1 2 2 3 10 2 2 1 1 1 2 1 2 2 5 1 2 2 13 4 1 1 1 1 1 3 3 2 1 15 11 3 1 4 6 33 25 37 21 3 25 2 3 1 1 1 2 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 3 2 2 1 1 2 1 1 2 2 1 2 4 8 3 2 19 100 22 9 5 2 6 4 3 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 97 t 1H J 62 | 79 79 dd 1H J 16 69 | 78 78 dd 1H J 16 72 | 75 74 m 2H | 74 73 m 2H | 72 72 dt 2H J 9 85 | 38 38 dt 2H J 8 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(C)(F)F)nn2-c2cccc3ncccc23)cc1
ir: 4 6 10 5 5 6 4 5 4 6 4 7 8 5 5 5 7 42 7 10 12 23 15 4 6 5 4 3 5 4 3 6 4 9 6 5 6 7 6 10 14 5 8 6 6 9 7 5 6 9 6 4 10 63 18 11 7 5 3 1 6 10 9 5 23 5 2 2 3 4 4 5 22 13 11 10 8 5 3 4 11 16 5 10 33 9 8 15 51 14 6 3 5 19 5 3 12 7 3 5 5 15 10 6 3 7 5 3 4 4 13 19 20 6 8 36 22 12 31 16 21 15 6 11 6 11 8 10 12 5 4 10 5 5 6 3 3 9 4 4 8 30 25 11 4 3 2 6 11 7 6 4 16 5 4 4 21 4 23 5 4 4 6 3 10 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 3 2 4 4 4 5 18 13 17 83 31 22 29 11 3 3 3 4 3 2 2 3 2 2 2 3 2 2 3 3 2 2 5 6 1 11 100 2 7 6 0 2 4 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 90 90 dd 1H J 21 41 | 85 84 dd 1H J 21 69 | 82 82 dd 1H J 20 69 | 81 80 m 2H | 78 77 m 2H | 76 76 dd 1H J 41 69 | 74 74 m 2H | 66 66 t 1H J 17 | 25 25 s 1H | 24 24 s 1H | 24 24 s 1H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1cccc(C#CC=C2CCNCC2)n1
ir: 1 1 0 1 3 3 2 1 2 1 0 1 2 3 7 1 1 1 1 1 1 0 0 1 1 0 1 1 2 2 1 9 2 5 1 1 1 0 3 3 3 10 5 6 6 5 10 12 28 19 8 14 100 18 5 3 3 4 2 1 1 4 2 3 4 9 10 4 1 2 2 6 4 2 3 1 2 5 5 2 2 2 2 1 1 1 1 1 1 1 1 2 1 4 2 1 1 1 2 1 5 4 2 1 1 1 1 3 13 16 21 17 2 2 4 8 12 7 3 3 1 2 2 3 1 4 3 3 7 9 11 3 3 5 24 23 57 5 2 1 1 2 3 1 1 1 1 1 1 1 2 3 54 34 11 8 5 2 5 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 5 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 2 1 1 1 1 4 11 10 9 60 15 5 2 1 1 1 1 1 1 1 1 1 1 2 1 3 3 4 7 61 12 1 1 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 t 1H J 66 | 75 75 dd 1H J 13 64 | 74 74 dd 1H J 13 68 | 58 57 p 1H J 9 | 29 28 m 4H | 24 24 m 4H | 22 22 p 1H J 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(O)c1c(C(F)(F)F)ccc(F)c1-c1ccc2c(c1)CCCO2
ir: 30 31 27 11 15 13 8 4 6 8 4 5 2 9 3 2 1 2 1 1 3 2 1 2 1 2 3 4 5 3 7 3 3 2 1 6 9 3 2 1 1 1 1 2 1 2 3 2 4 5 2 2 5 13 27 30 10 3 2 1 1 3 4 2 1 9 4 10 4 11 42 3 2 4 17 2 2 2 1 1 2 3 1 4 3 5 2 22 64 65 29 6 10 4 9 12 7 3 14 100 28 14 2 4 5 4 4 1 2 2 2 6 5 3 3 5 6 23 21 9 3 3 3 7 3 2 1 2 2 5 1 3 6 1 0 1 1 1 1 1 1 1 16 6 5 2 9 2 2 2 2 2 4 46 6 1 1 0 1 3 1 1 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 2 2 2 2 2 4 2 2 4 4 7 7 27 45 70 11 3 2 2 5 43 90 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 76 76 ddt 1H J 24 51 72 | 74 73 tt 1H J 8 20 | 73 72 dd 1H J 72 101 | 72 72 dt 1H J 21 84 | 69 69 d 1H J 83 | 53 52 d 1H J 55 | 42 42 m 2H | 42 41 d 1H J 55 | 38 38 s 2H | 29 28 m 2H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC/C(=C\c1c(F)cccc1F)C(C)=O
ir: 8 3 1 2 4 2 0 4 5 2 1 5 6 5 2 7 5 2 1 5 10 2 3 3 4 2 1 3 3 6 21 36 23 5 2 4 16 2 5 7 5 3 5 8 7 4 21 79 14 5 3 8 3 1 3 4 2 0 2 8 3 0 2 6 2 1 11 26 8 3 4 12 7 4 4 3 4 30 7 5 2 1 7 3 1 1 3 3 1 1 3 3 6 8 7 6 5 2 10 3 3 3 4 3 0 3 10 11 21 14 7 10 4 7 11 8 6 12 12 22 6 5 6 14 12 39 10 10 5 3 3 11 8 3 5 3 4 3 15 23 25 33 63 85 8 8 6 2 2 3 3 2 2 5 21 20 6 4 2 1 2 23 3 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 1 2 3 2 0 2 3 1 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 3 5 6 4 4 2 7 9 8 3 9 6 6 6 9 33 24 85 23 100 18 8 6 7 3 6 4 5 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1; 1HNMR: 77 77 tt 1H J 15 46 | 74 73 tt 1H J 51 77 | 71 70 ddt 2H J 7 78 103 | 26 25 td 2H J 15 72 | 22 22 s 2H | 16 15 p 2H J 73 | 14 13 m 4H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3O[C@@H]3CCCNC3)c12
ir: 1 1 1 1 2 2 1 2 1 2 1 2 1 1 1 2 2 2 5 2 6 6 4 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 3 2 7 2 4 5 2 4 1 1 1 2 1 2 8 10 2 2 5 0 1 2 1 2 2 1 1 1 2 3 2 1 1 2 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 4 2 1 2 1 2 3 4 2 2 1 2 4 3 4 2 1 1 1 1 1 1 1 1 1 2 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 3 2 7 4 3 2 1 0 100 3 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 11 4 7 2 1 2 2 2 6 9 2 1 2 19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 s 1H | 84 83 s 1H | 75 74 s 2H | 73 72 dd 1H J 47 79 | 69 69 ddd 1H J 22 79 101 | 67 67 dd 1H J 22 122 | 46 45 dddd 1H J 13 31 43 56 | 32 32 ddd 1H J 14 48 130 | 30 28 m 3H | 28 27 tt 1H J 39 49 | 27 26 s 2H | 20 19 dddd 1H J 30 56 86 141 | 19 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCc1cn(-c2cccnc2)c2ccccc12
ir: 17 6 2 17 30 7 3 4 5 2 1 1 2 1 1 1 2 1 1 3 1 1 1 2 2 5 3 2 5 5 1 7 6 3 14 37 17 4 4 3 3 3 50 19 1 4 1 0 2 2 10 8 2 4 7 3 6 9 14 6 4 7 29 45 19 21 13 10 14 18 20 22 49 18 38 7 5 4 8 3 3 1 2 7 4 6 8 56 82 33 7 3 2 3 2 2 5 4 5 12 70 42 19 4 5 4 15 14 6 4 3 10 49 4 2 8 5 3 2 9 15 52 21 17 3 15 5 3 2 3 4 4 4 1 1 1 1 2 4 26 4 1 2 5 9 10 3 2 1 1 12 14 9 13 9 5 1 2 1 0 3 9 19 3 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 7 12 100 25 16 35 94 36 7 34 50 6 3 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 88 88 t 1H J 17 | 84 84 ddd 1H J 14 21 36 | 79 79 m 1H | 79 78 s 1H | 77 77 dt 1H J 21 64 | 75 75 dd 1H J 14 62 | 75 74 dd 1H J 37 63 | 74 73 ddd 1H J 13 64 73 | 71 71 td 1H J 14 70 | 53 53 d 2H J 9 | 31 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@H](C)CCCCn1c(=O)cc(N)[nH]c1=O
ir: 6 7 13 6 8 4 6 5 4 2 2 1 1 1 2 5 1 2 2 1 2 2 2 1 1 2 2 3 4 3 3 2 1 2 1 1 1 3 2 3 4 6 9 6 3 3 3 0 9 70 32 28 6 2 4 3 3 2 2 3 2 3 3 2 2 10 14 18 13 6 3 2 2 2 2 1 2 1 1 12 11 23 6 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 15 6 3 1 1 2 2 1 2 4 2 1 2 3 2 3 2 1 1 1 4 5 3 2 2 3 2 1 2 1 1 1 1 1 1 1 2 2 6 1 2 1 0 0 1 1 0 1 1 1 0 1 9 6 2 3 43 21 25 17 32 9 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 2 3 3 2 9 8 3 3 3 6 2 3 1 1 1 1 1 1 1 1 1 1 1 2 4 9 17 6 3 3 3 4 15 7 1 2 19 46 100 23 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 65 64 s 2H | 44 43 s 1H | 38 37 t 2H J 64 | 34 34 ddddd 1H J 15 46 62 77 122 | 34 33 d 3H J 15 | 17 15 m 4H | 15 13 m 4H | 12 12 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNc1nc(NCC(=O)OCC)c(N)c(C(=O)OCC)n1
ir: 5 5 4 4 3 3 2 3 4 5 2 2 3 3 4 3 3 5 2 6 6 4 6 12 9 8 3 3 5 3 3 5 3 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 4 10 11 6 5 2 2 1 2 2 1 2 1 1 1 1 1 1 2 1 3 3 1 1 1 0 1 1 0 1 2 5 3 1 1 1 0 0 1 1 0 1 2 2 1 1 1 1 1 0 1 1 1 1 1 1 2 3 2 1 4 2 2 2 10 3 5 5 2 2 4 3 5 5 7 4 2 1 2 1 1 1 2 3 4 6 5 4 31 7 10 3 4 2 11 11 2 4 19 6 4 17 13 3 1 1 2 7 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 2 1 1 1 1 1 0 1 4 5 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 8 2 3 2 2 6 27 25 7 5 1 14 100 2 2 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 t 1H J 61 | 69 69 t 1H J 58 | 60 60 s 2H | 44 43 m 4H | 42 41 m 6H | 14 13 t 3H J 64 | 13 12 t 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc(NC(=O)c2ccc(N)cc2)s1
ir: 38 9 4 11 14 8 9 10 10 8 8 4 8 4 2 4 6 2 1 4 6 3 2 5 5 3 4 4 5 3 3 5 5 3 3 6 8 4 3 6 5 5 5 20 28 37 77 25 9 13 7 5 5 1 6 4 10 4 3 5 3 1 3 5 3 1 3 5 3 2 3 4 2 4 3 6 6 10 12 5 3 2 4 4 2 1 4 4 2 4 7 5 2 2 5 7 1 2 4 5 1 2 5 4 1 3 8 5 1 3 5 4 2 5 5 3 1 4 5 3 1 4 5 3 5 3 4 3 2 3 4 2 10 4 4 2 3 3 18 2 2 4 4 5 12 5 5 4 29 4 100 11 30 7 10 8 16 51 15 2 3 4 4 25 20 7 3 0 3 6 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 3 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 3 3 2 2 4 3 1 2 4 3 2 3 4 4 1 2 4 3 2 3 6 4 1 4 5 8 4 7 25 7 4 4 5 3 2 3 4 2 2 3 4 2 2 3 4 3 4 13 9 4 4 9 47 31 3 7 5 8 42 45 7 3 4 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 2 2 4 3 1 3 4 3 1; 1HNMR: 78 78 m 3H | 66 66 m 3H | 46 45 s 2H | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)Oc1ccc(O)cc1CO
ir: 5 4 4 2 3 4 8 4 2 6 3 4 9 8 2 7 4 7 3 7 5 2 6 2 0 2 1 1 1 1 1 0 0 1 0 0 1 1 2 2 2 1 2 1 0 1 1 1 0 1 1 1 1 5 7 12 5 1 1 2 3 2 4 3 1 1 1 5 9 1 1 1 1 1 2 1 1 1 1 2 5 13 8 18 18 18 15 8 10 13 6 11 8 5 3 3 5 7 1 1 1 1 2 3 3 2 0 3 3 1 0 2 5 4 0 1 3 1 1 3 4 2 3 2 3 1 0 5 6 3 4 1 1 0 0 1 1 0 0 0 1 0 2 5 6 8 2 1 1 5 6 1 2 3 2 1 1 0 0 0 0 2 2 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 1 1 1 3 2 1 2 2 1 1 2 2 1 1 1 1 1 1 2 8 6 2 4 5 10 3 3 6 17 14 4 100 76 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 67 m 3H | 57 56 s 1H | 46 46 dd 2H J 8 58 | 42 42 q 2H J 61 | 29 29 t 1H J 59 | 16 15 s 5H | 13 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(F)cc1-c1ccccc1CCC(=O)N(NC(=O)c1ccccc1)C(C)C
ir: 4 2 1 4 7 4 3 3 5 3 0 3 4 2 1 2 2 1 1 3 2 3 4 3 4 2 1 5 7 2 5 12 5 31 14 8 11 19 20 18 7 4 5 13 4 7 2 3 5 1 1 3 4 16 10 4 2 1 2 3 1 1 2 6 3 2 9 10 8 7 3 5 2 7 6 4 2 1 3 4 1 1 4 2 1 0 2 2 4 10 3 2 1 2 2 2 2 1 5 3 3 2 3 1 1 2 2 2 0 2 4 3 3 2 4 4 3 6 6 8 0 6 6 4 2 2 5 6 5 5 4 3 3 6 16 29 13 11 19 9 3 6 15 12 9 12 28 77 12 25 13 6 4 4 3 2 2 2 3 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 3 2 0 2 3 3 3 2 3 2 3 3 11 12 14 15 100 38 16 9 1 2 2 1 2 1 2 1 1 1 1 1 1 1 2 3 3 4 5 5 11 14 16 10 4 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 92 92 s 1H | 79 78 m 2H | 75 75 m 4H | 74 73 td 1H J 19 74 | 73 72 td 1H J 12 75 | 73 72 ddt 1H J 9 19 76 | 71 71 dd 1H J 26 122 | 70 70 ddd 1H J 26 83 102 | 70 69 dd 1H J 46 84 | 40 39 m 1H | 39 39 s 3H | 30 29 td 2H J 8 82 | 26 26 t 2H J 82 | 13 12 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(Br)cc(C)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
ir: 7 9 9 6 2 3 3 4 9 8 12 7 6 5 3 3 12 13 7 3 6 5 4 4 2 1 2 1 4 14 3 3 7 8 4 2 2 2 2 1 7 2 4 2 3 2 1 1 1 2 1 2 2 1 1 1 2 3 2 2 2 4 4 4 10 4 4 4 7 4 3 7 5 2 2 3 2 2 1 1 1 1 1 1 1 1 2 2 4 4 2 3 5 2 1 1 3 2 2 2 2 2 2 9 6 3 2 2 2 2 1 2 4 9 5 3 4 6 4 12 10 9 8 4 5 2 4 3 5 13 7 13 10 56 12 3 0 4 4 1 2 2 4 4 5 24 5 1 7 3 2 6 2 3 13 100 11 7 2 2 2 3 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 7 3 2 2 3 2 1 2 3 2 3 6 16 49 11 14 33 6 3 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 d 1H J 22 | 75 75 d 1H J 26 | 43 43 q 2H J 64 | 24 24 s 3H | 15 15 s 17H | 14 14 t 4H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1COCN(c2nc3c(s2)C(C)(C)CC(C)(C)C3)C1=O
ir: 2 3 3 4 7 7 4 2 2 2 3 3 11 2 1 4 14 15 3 2 1 2 4 1 1 1 1 1 1 1 2 1 1 2 9 11 3 2 1 3 3 58 58 10 2 10 4 2 2 1 1 1 2 3 3 1 1 2 3 1 1 2 4 7 4 14 9 6 3 5 2 3 4 1 6 21 2 3 1 1 1 1 1 1 1 1 1 4 6 1 1 3 2 1 1 1 3 1 1 1 1 1 1 1 1 1 2 3 2 1 2 2 3 8 5 5 4 2 2 6 3 5 9 6 3 3 2 6 3 4 6 2 5 3 2 1 1 1 3 1 2 5 10 88 6 37 9 2 2 2 1 1 1 17 100 4 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 3 3 2 2 2 1 1 3 18 10 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 56 55 s 2H | 50 49 s 2H | 31 30 s 3H | 27 27 s 2H | 21 21 s 2H | 15 15 s 6H | 11 10 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1cc(C(C)=O)cc(C(F)(F)F)c1
ir: 7 13 14 13 15 23 17 10 15 22 18 23 20 24 26 17 6 10 5 7 8 17 14 12 8 7 6 12 7 8 8 10 8 40 76 11 8 6 6 8 10 12 7 6 7 4 7 8 19 6 10 9 7 8 16 7 5 5 6 6 7 21 16 10 45 13 64 43 15 5 25 13 13 10 17 37 18 7 9 13 54 23 54 41 13 12 100 44 15 11 7 9 12 52 68 21 16 12 0 57 8 7 8 7 5 6 7 24 13 9 7 9 16 16 31 68 14 10 24 17 25 16 13 10 11 14 16 81 18 13 20 19 9 13 29 6 8 7 6 6 10 10 10 57 23 12 8 8 8 6 5 5 5 9 17 8 7 5 5 5 6 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 9 6 7 8 9 6 9 8 8 8 8 8 11 14 46 47 34 49 12 9 6 7 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 83 82 t 1H J 22 | 82 82 t 1H J 21 | 82 81 t 1H J 22 | 75 74 d 1H J 7 | 48 48 s 2H | 46 46 m 1H | 43 42 q 2H J 66 | 29 28 d 3H J 15 | 28 27 m 2H | 26 26 s 2H | 21 20 m 1H | 20 19 m 1H | 19 18 m 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cn(CC(=O)O)c2cc(F)c(F)cc12
ir: 1 1 1 4 2 3 2 4 9 5 3 3 11 29 34 11 16 5 11 19 11 53 41 17 8 5 12 13 2 3 2 3 1 2 4 24 4 5 3 0 3 74 2 9 2 5 5 3 2 2 3 1 2 2 1 2 1 1 1 1 1 1 1 1 1 3 11 4 17 1 6 10 3 0 1 3 3 12 12 8 19 4 3 2 2 5 3 4 2 2 2 1 1 2 1 3 2 3 7 2 3 3 2 7 7 6 1 1 1 1 1 1 1 1 1 2 1 4 6 3 3 2 2 1 2 1 2 2 1 2 3 3 8 2 11 2 1 1 1 2 4 7 4 39 16 19 5 1 1 1 2 2 1 12 6 1 2 33 30 28 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 2 1 2 1 2 3 3 6 44 13 4 15 5 2 3 3 11 100 10 5 1 1 1 0 0 25 40 2 2 1 1 1 1 1 1 1 2 1 38 76 8 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 q 1H J 7 | 74 74 dd 1H J 47 122 | 73 72 dd 1H J 42 121 | 70 70 s 2H | 50 50 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OCc1ncc(-c2cc(OCc3ccccn3)nc3c2CCCC3)s1
ir: 11 14 17 57 0 14 20 11 6 10 17 8 6 10 13 8 7 11 14 13 12 16 14 7 9 16 15 18 10 15 15 17 24 28 21 30 9 41 32 10 10 24 42 10 20 18 16 11 23 42 17 13 24 21 19 30 17 19 11 7 10 16 11 4 24 23 11 11 34 44 49 12 16 19 11 9 11 15 14 13 14 19 30 38 33 14 8 11 22 16 11 19 24 12 9 9 14 13 25 22 15 10 6 8 13 10 7 12 13 15 13 25 17 12 33 24 15 13 11 16 20 12 7 12 14 10 7 17 54 29 11 13 16 12 11 68 52 17 30 16 12 8 8 15 14 11 19 18 39 10 41 22 14 14 13 19 42 40 10 29 12 7 9 12 9 6 8 12 9 5 9 12 9 6 9 12 9 5 9 12 8 6 9 11 8 6 10 11 8 6 10 11 7 7 10 11 7 7 10 11 7 7 11 10 7 7 11 10 7 8 11 10 6 8 11 9 6 8 11 9 6 8 12 9 6 9 12 9 5 9 12 9 6 9 12 8 6 9 11 8 6 9 11 8 6 10 11 7 6 10 11 7 7 10 11 7 7 10 10 7 7 10 10 8 8 11 10 7 9 13 13 9 9 12 13 11 14 15 12 9 10 14 13 27 40 15 28 100 69 27 19 5 11 13 8 6 10 11 8 6 9 11 7 7 10 11 7 7 10 10 7 7 10 10 7 7 10 10 7 7 10 10 7 8 11 9 6 8 11 9 6 8 11 9 6 8 11 9 6 8 11 9 6 9 11 8 6 9 11 8 6 9 11 8 6 9 11 8 7 9 10 8 7 10 10 7 7 10 10 7 7 10 10 7 7 10 10 7 8 10 9 7 8 10 9 7 8 11 9 6 8 11 9 6 8 11 9 6 9 11; 1HNMR: 86 86 dd 1H J 16 42 | 80 79 s 1H | 79 78 td 1H J 16 73 | 74 73 ddd 1H J 15 42 75 | 73 73 dq 1H J 11 76 | 70 69 s 1H | 53 53 d 2H J 9 | 49 48 s 2H | 40 39 hept 1H J 53 | 28 28 m 2H | 26 25 m 1H | 25 24 m 1H | 19 18 m 4H | 13 12 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(N(C)C2CCOCC2)c2cc(C(=O)NNC(C)=O)cnc21
ir: 2 2 3 8 15 5 4 4 3 8 2 3 3 1 1 4 2 2 2 9 4 4 2 4 8 5 4 9 2 7 7 9 9 5 4 4 4 5 13 16 15 6 9 27 10 1 1 2 3 4 6 13 7 5 3 4 8 10 2 2 1 1 1 1 1 1 3 8 8 13 9 3 3 4 5 5 6 1 1 1 1 1 1 2 4 11 5 5 3 1 3 6 1 1 3 2 1 1 2 4 2 2 2 2 0 2 2 1 2 1 1 5 1 6 19 4 4 3 10 3 4 2 3 7 5 2 1 2 2 3 4 5 9 22 4 5 10 13 16 16 78 6 1 7 22 35 10 3 7 2 26 4 5 4 4 6 50 7 2 1 1 1 4 51 4 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 1 2 1 3 3 2 2 2 2 2 2 15 12 12 4 9 3 3 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 2 4 3 15 47 100 17 17 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 d 1H J 66 | 91 91 d 1H J 18 | 89 88 d 1H J 16 | 42 41 q 2H J 55 | 37 36 ddd 2H J 31 59 108 | 35 35 ddd 2H J 33 59 110 | 33 32 m 4H | 21 21 dddd 3H J 31 59 68 128 | 20 20 s 2H | 19 18 dddd 2H J 32 59 68 128 | 16 15 t 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nn(Cc2ccc(-c3cscn3)nc2)c2ccccc2c1=S
ir: 10 9 12 2 13 22 22 4 29 18 21 18 2 9 9 19 7 12 12 4 2 4 4 3 2 6 6 15 28 4 7 2 1 10 6 4 8 14 18 8 7 23 53 100 8 10 4 5 6 12 4 15 6 5 8 8 8 5 3 11 49 50 10 5 3 4 3 2 2 6 3 9 5 4 11 34 38 12 8 3 3 3 3 4 5 29 12 12 50 18 24 18 7 23 8 10 24 23 7 8 15 11 15 10 11 12 8 8 4 6 4 5 6 6 6 5 12 12 7 5 10 14 11 10 7 18 18 7 8 8 4 11 4 2 3 9 9 30 27 5 4 2 8 10 3 2 4 4 8 55 85 9 5 26 10 7 8 4 3 3 2 1 17 4 2 1 2 26 3 0 1 3 2 0 1 3 1 0 1 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 2 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 2 2 3 2 1 3 3 3 2 2 2 6 8 17 9 25 58 93 88 21 22 18 6 3 2 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 89 89 d 1H J 16 | 86 86 dq 1H J 9 17 | 82 82 m 1H | 78 77 m 2H | 77 77 d 1H J 17 | 76 74 m 3H | 53 53 d 2H J 7 | 44 43 q 2H J 71 | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(CCOc2ccc(C[C@H](NC(=O)C(C)C)C(=O)O)cc2)cc1
ir: 1 1 1 1 2 2 4 2 3 3 1 10 38 11 11 16 6 8 4 31 24 13 5 4 6 4 5 5 5 2 1 2 2 1 4 3 19 18 15 6 4 2 3 3 2 1 2 2 2 2 1 3 3 0 12 14 5 4 2 1 2 3 2 5 2 2 2 2 2 2 5 7 5 2 6 5 11 14 18 8 5 10 10 7 5 5 3 11 3 2 1 1 1 2 1 4 4 7 1 2 1 1 0 1 2 3 3 3 4 5 1 2 1 2 1 2 3 2 4 4 5 4 9 9 7 4 3 3 5 2 2 2 2 1 2 1 1 2 2 1 1 5 43 11 6 9 31 24 33 6 7 2 6 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 2 2 3 2 4 3 6 7 6 13 27 12 1 2 2 2 1 1 2 6 100 23 8 2 1 1 1 2 1 2 1 3 4 9 13 20 8 7 3 2 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 92 | 73 73 s 1H | 71 70 ddt 4H J 9 86 183 | 68 68 dq 4H J 17 90 | 44 44 dt 1H J 68 92 | 42 41 t 2H J 59 | 41 40 q 2H J 66 | 31 31 ddt 1H J 9 68 141 | 30 29 tt 2H J 9 59 | 29 28 ddt 1H J 9 68 141 | 26 25 hept 1H J 64 | 15 14 t 3H J 67 | 11 10 dd 6H J 64 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(C(=O)c2cccc(C(F)(F)F)c2)s1
ir: 2 2 2 2 3 5 4 3 5 4 6 8 3 11 19 11 9 9 12 20 38 42 23 18 2 9 7 3 5 4 6 12 5 3 3 2 3 5 26 27 26 4 4 7 5 8 7 7 12 24 4 1 2 2 2 2 3 3 2 0 7 8 11 4 2 1 1 3 4 3 3 4 6 5 4 5 8 13 20 34 22 11 9 5 4 2 5 7 2 5 3 6 7 6 4 3 4 5 10 24 8 5 4 2 1 2 2 1 1 3 11 53 20 17 6 9 8 6 2 9 12 21 32 27 14 6 13 26 11 10 5 4 3 5 2 2 3 5 10 15 20 19 36 29 27 15 6 6 4 3 4 11 3 2 2 2 3 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 2 3 3 1 3 3 6 10 7 17 62 100 19 21 18 5 7 3 11 26 44 20 1 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 t 1H J 21 | 78 77 m 2H | 76 76 d 1H J 68 | 76 75 dd 1H J 74 107 | 72 72 dt 1H J 8 68 | 37 37 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.