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Cc1nc2c3c(nn2c(C)c1Cl)CN(C(=O)c1ccc(F)cc1O[C@@H]1CCN(C2COC2)C1)C3
ir: 4 4 5 5 10 6 9 10 4 4 9 14 43 6 5 5 5 4 8 9 5 8 9 5 8 12 8 2 6 12 4 4 3 6 27 37 7 10 6 5 4 11 4 2 4 6 5 5 5 8 8 6 11 24 17 9 6 9 11 4 5 7 6 3 6 4 15 26 15 14 14 4 4 12 12 11 8 5 3 9 14 7 9 8 29 26 11 8 7 5 6 8 20 7 7 4 5 4 3 3 4 7 6 12 9 8 5 6 27 27 6 12 8 7 3 4 7 3 11 9 6 6 9 10 12 28 6 8 27 8 6 42 23 19 14 3 4 1 1 33 8 13 2 28 4 1 2 7 17 29 36 69 40 41 6 10 80 19 5 0 2 26 4 0 2 3 2 1 2 3 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 2 2 2 2 2 2 2 2 2 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 1 2 2 2 2 2 2 2 3 4 6 3 3 4 4 5 4 7 4 3 6 7 9 13 16 15 19 100 14 4 4 3 5 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 1 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 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 78 77 dd 1H J 50 87 | 71 70 ddd 1H J 22 86 106 | 68 68 dd 1H J 22 121 | 50 50 s 2H | 49 48 m 2H | 48 48 d 1H J 137 | 39 39 dd 2H J 38 92 | 37 36 dd 2H J 38 92 | 36 35 p 1H J 37 | 33 32 m 1H | 31 30 dddd 1H J 18 51 69 120 | 29 28 m 2H | 26 26 s 3H | 25 25 s 3H | 22 21 dddd 1H J 23 52 74 125 | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(N2CCN(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1
ir: 2 4 12 15 14 25 7 3 2 4 3 2 3 4 22 10 6 9 5 2 4 11 13 6 6 3 3 3 2 2 4 3 6 5 10 28 4 82 7 7 3 3 2 2 2 4 3 2 4 12 7 12 8 9 23 44 33 17 7 5 3 9 7 1 2 3 2 1 2 6 5 2 4 15 2 1 3 3 1 1 3 4 3 14 11 5 3 3 3 4 2 6 6 10 3 3 4 5 3 6 7 3 1 3 3 5 5 4 3 2 2 5 4 11 2 25 4 18 20 13 7 4 10 8 7 11 10 5 4 2 2 6 10 3 4 6 25 4 1 3 5 3 5 37 13 5 3 3 6 12 31 17 17 12 100 30 5 2 3 4 2 1 2 15 3 0 1 2 2 0 1 2 1 0 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 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 2 3 3 1 2 3 2 2 3 3 2 2 2 4 3 10 16 26 18 95 69 7 8 3 4 4 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 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 79 m 2H | 73 73 m 2H | 72 72 m 4H | 46 46 d 2H J 9 | 39 39 m 2H | 39 39 s 3H | 36 36 m 2H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)(=O)n2cc(C)c3ccc(Br)cc32)cc1N1CCNCC1
ir: 5 6 2 2 2 2 3 8 9 3 34 9 22 9 6 13 59 13 13 10 5 11 28 11 6 6 5 8 13 7 2 3 1 2 2 1 3 7 13 6 3 4 5 4 6 3 3 22 40 5 2 14 40 14 72 6 9 12 2 0 9 22 10 14 14 10 14 18 56 22 17 9 8 7 6 1 2 4 2 3 3 1 11 40 16 70 13 12 11 8 4 3 6 3 7 5 14 10 100 20 7 4 9 7 5 3 5 16 2 3 2 6 23 30 94 80 11 9 8 6 5 4 6 17 23 19 14 19 8 20 3 4 2 5 3 2 2 1 2 2 1 1 1 5 9 9 3 2 2 12 7 5 2 15 6 5 3 1 2 2 2 2 4 1 1 1 1 1 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 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 2 2 2 3 2 3 4 14 14 10 13 20 35 19 21 6 3 5 2 2 2 2 2 3 2 5 4 4 5 5 29 82 14 6 4 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; 1HNMR: 82 82 d 1H J 21 | 79 78 d 1H J 79 | 77 77 m 2H | 75 74 dd 1H J 22 79 | 73 72 d 1H J 22 | 70 70 d 1H J 94 | 39 38 s 2H | 33 33 m 4H | 30 30 tdd 4H J 12 31 43 | 25 25 d 3H J 7 | 19 18 p 1H J 32
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCC1CCCC1)c1cn(C2COC2)c2cccc(Cl)c12
ir: 3 4 2 4 6 3 4 2 2 1 2 1 0 0 1 2 3 3 3 2 2 3 4 7 7 4 36 14 9 3 3 3 9 4 10 9 46 8 1 2 6 18 18 53 22 30 65 12 9 7 19 22 6 3 3 3 12 1 3 3 2 4 3 3 6 2 13 8 3 7 4 2 3 1 2 3 4 2 1 1 3 10 1 2 3 2 2 1 12 6 2 4 27 6 6 4 2 2 1 1 3 1 2 6 12 16 5 18 8 6 2 4 7 6 2 3 3 1 0 4 8 6 6 8 18 6 2 2 4 4 2 8 7 9 11 18 7 4 3 24 9 24 18 4 19 10 46 9 10 41 4 10 79 5 2 0 4 2 6 9 1 1 1 1 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 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 1 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 2 8 7 6 16 3 3 6 9 8 14 13 7 28 27 36 13 23 43 7 1 2 2 1 1 1 1 1 1 1 1 1 1 1 4 3 17 4 2 21 20 100 51 32 15 4 4 4 2 2 1 1 2 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 1 0 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 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0; 1HNMR: 77 76 t 1H J 51 | 75 74 m 2H | 74 74 dd 1H J 13 75 | 74 73 t 1H J 71 | 47 46 m 1H | 40 40 dd 2H J 18 95 | 38 37 dd 2H J 18 93 | 33 32 q 2H J 52 | 17 14 m 8H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(-c2ccccc2)nn2ccc3c(c12)C(CC#N)CC3
ir: 6 3 2 4 1 2 1 16 1 3 2 3 2 4 5 2 2 1 1 1 1 1 1 1 1 6 4 18 6 7 2 1 2 4 43 5 15 2 1 9 10 15 9 12 11 3 1 1 1 1 2 4 15 37 8 2 1 2 3 1 2 5 2 1 2 1 1 3 9 3 1 1 1 1 1 1 2 5 1 2 1 3 1 1 2 6 5 1 1 9 2 3 2 3 2 2 4 2 1 5 4 2 1 1 1 2 0 35 2 4 1 2 2 2 8 4 2 3 10 8 2 3 5 4 1 2 3 2 3 9 3 2 2 7 3 12 15 11 3 2 2 100 12 3 3 4 15 13 7 8 2 9 14 27 5 47 2 1 1 1 8 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 3 4 4 2 2 4 2 6 3 21 7 19 44 34 25 14 48 4 6 3 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; 1HNMR: 85 85 d 1H J 71 | 77 77 m 2H | 76 75 m 2H | 74 73 m 1H | 69 68 dt 1H J 8 70 | 39 38 s 2H | 31 30 m 2H | 30 30 s 1H | 30 29 dddd 1H J 9 51 70 130 | 29 28 dd 1H J 35 101 | 26 26 dd 1H J 36 100 | 22 21 m 1H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(=O)CSc1cccc(OC)c1C
ir: 2 3 5 4 5 4 9 3 4 9 12 6 4 4 4 3 5 8 8 10 43 9 3 2 1 2 2 1 2 3 4 1 1 3 2 1 1 3 2 2 3 3 2 1 2 10 10 15 28 11 4 4 4 7 2 1 2 4 2 0 2 3 3 20 4 7 3 2 2 3 1 0 2 3 1 3 3 3 2 1 2 2 3 1 2 2 1 1 5 3 3 19 17 5 2 4 4 7 24 20 15 15 4 3 3 2 1 1 3 2 3 9 6 5 1 2 4 7 7 26 23 31 7 10 3 19 8 6 12 3 7 2 7 3 2 4 3 12 43 31 7 51 4 46 27 10 11 5 2 2 1 7 2 1 2 8 8 4 10 4 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 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 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 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 1 1 2 2 1 1 3 3 3 3 4 6 15 14 9 4 1 7 10 6 6 36 55 11 100 12 4 3 4 2 3 2 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 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 2 1 0 1 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 72 72 dd 1H J 71 81 | 70 69 dd 1H J 11 71 | 68 67 dd 1H J 12 80 | 39 38 s 2H | 38 38 s 3H | 37 37 s 3H | 36 35 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCN(C(=O)c3ccc(C)cc3O)CC2)c1
ir: 4 3 3 8 1 4 4 3 3 3 4 3 2 3 3 2 2 3 3 2 4 3 3 4 4 5 4 11 9 13 13 12 9 8 6 2 3 7 5 3 4 8 11 59 16 19 36 62 11 0 4 6 3 1 12 5 6 6 3 6 3 2 3 3 4 6 4 16 11 6 3 4 3 4 8 4 6 2 3 3 9 4 7 3 6 11 9 4 2 3 3 6 4 6 4 4 5 7 9 3 3 3 4 3 4 9 6 5 3 14 11 6 3 6 8 4 3 4 5 3 3 6 14 15 8 5 4 4 3 4 5 2 8 4 2 3 4 2 4 5 12 4 3 4 6 14 18 20 16 6 6 60 6 27 8 17 5 3 3 4 4 5 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 4 3 3 3 3 3 5 5 3 3 10 9 12 100 19 12 39 57 26 4 6 4 3 2 3 3 2 2 2 3 2 3 6 4 4 4 4 15 22 8 9 4 2 3 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 2 2 2; 1HNMR: 84 83 dd 1H J 18 121 | 81 80 dd 1H J 17 140 | 77 76 d 1H J 83 | 74 73 dd 1H J 70 77 | 72 71 ddd 1H J 12 22 71 | 71 70 t 1H J 22 | 70 69 m 2H | 69 68 ddd 1H J 11 23 77 | 67 67 m 1H | 38 38 dp 1H J 46 79 | 37 36 ddd 2H J 59 87 130 | 34 33 ddd 2H J 60 88 130 | 25 25 s 2H | 23 23 d 3H J 8 | 22 21 dddd 2H J 45 60 88 132 | 19 18 dddd 2H J 45 60 88 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1cccc(-c2cc(-c3ccccc3)cc(C(=O)Nc3ccccc3CC(=O)O)n2)c1
ir: 3 3 2 1 0 2 3 2 2 2 4 3 5 5 4 5 9 3 4 30 35 20 3 4 5 2 1 2 1 10 4 14 14 30 13 12 6 13 2 2 2 30 8 13 49 6 18 11 6 4 2 3 1 1 1 1 3 12 3 7 20 9 4 4 14 18 5 5 5 15 12 16 3 2 18 6 5 14 22 24 7 6 2 4 3 3 2 5 3 4 3 5 2 2 1 2 3 1 1 1 2 2 3 2 1 1 0 1 1 0 1 1 1 2 3 1 3 7 0 7 10 3 2 3 7 5 5 6 5 7 4 5 7 21 10 4 3 20 18 24 4 52 16 15 22 5 14 9 11 5 4 7 2 6 4 5 4 3 2 1 4 2 1 1 2 2 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 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 0 0 0 0 1 1 0 0 2 2 0 1 2 1 1 1 4 5 8 10 100 32 9 6 4 2 1 1 1 8 10 2 2 2 5 8 12 4 12 5 5 5 57 18 31 8 9 4 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 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; 1HNMR: 84 83 d 1H J 22 | 82 81 d 1H J 22 | 79 78 tt 1H J 10 22 | 77 77 ddd 1H J 12 21 81 | 76 76 m 3H | 75 74 m 3H | 74 73 m 3H | 73 72 m 1H | 71 70 td 1H J 13 74 | 40 40 tt 2H J 8 62 | 36 36 d 2H J 11 | 17 17 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC1CN(c2ncc(C(=O)N(C)c3cccc(C(F)(F)F)c3)c(N)n2)C(=O)N1
ir: 0 3 4 5 6 4 5 4 4 3 3 2 4 3 14 10 3 5 4 4 1 4 2 3 2 2 4 5 4 6 5 8 16 4 3 5 14 27 5 28 14 9 5 6 2 3 3 2 4 7 3 3 11 33 21 5 7 7 2 1 2 3 2 0 3 12 6 5 4 5 3 8 4 3 2 2 5 2 3 2 4 3 1 2 3 4 2 2 3 2 1 1 1 1 0 2 3 2 8 6 3 2 0 1 2 2 2 3 3 3 3 3 3 4 5 6 5 4 3 2 2 2 1 2 2 2 5 4 2 7 5 3 3 1 2 2 3 20 6 9 9 9 9 40 23 15 13 7 4 2 21 25 4 4 3 4 5 12 14 53 4 3 2 3 1 0 1 2 1 0 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 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 2 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 0 1 2 1 1 1 1 0 1 1 3 1 2 2 1 1 1 2 2 2 2 3 3 2 2 7 4 6 6 3 1 2 3 3 2 0 1 2 1 1 1 3 1 2 4 18 18 2 5 3 5 5 7 3 3 6 10 100 60 5 1 2 2 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 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 1 0 1 1; 1HNMR: 83 83 s 1H | 77 77 t 1H J 22 | 76 75 ddd 1H J 13 21 69 | 75 74 m 1H | 75 75 s 2H | 74 73 ddd 1H J 12 23 106 | 67 67 d 1H J 59 | 59 58 m 1H | 53 52 ddd 1H J 20 29 161 | 51 50 ddd 1H J 19 29 106 | 47 46 dddd 1H J 22 43 58 79 | 44 44 ddd 1H J 9 44 145 | 42 41 ddd 1H J 9 44 145 | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)COc1ccc(CS)cn1
ir: 3 4 1 8 8 2 2 2 3 3 4 5 7 6 1 2 2 1 1 3 3 1 1 2 2 2 1 3 4 2 4 3 2 5 10 9 16 11 21 8 9 20 17 8 5 3 5 4 6 21 3 7 5 14 18 7 3 2 2 2 1 0 2 2 2 2 8 7 2 28 23 1 1 1 2 2 1 2 2 2 1 1 2 2 1 2 3 11 6 17 11 3 2 1 2 2 1 3 13 3 4 13 11 4 7 25 1 2 3 2 27 10 2 2 2 1 1 2 3 3 12 11 3 11 18 3 4 5 13 2 2 3 5 2 2 5 47 100 7 1 0 3 2 1 1 2 2 1 15 20 4 3 3 3 3 1 1 3 3 33 51 0 1 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 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 2 2 2 2 1 1 1 1 1 1 2 1 1 1 1 3 2 2 4 4 95 29 4 3 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 3 7 3 2 2 2 2 1 2 6 22 24 6 18 15 4 4 4 3 2 2 2 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 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; 1HNMR: 82 81 dt 1H J 8 19 | 75 74 ddt 1H J 9 19 82 | 67 66 d 1H J 82 | 50 49 q 2H J 130 | 40 39 dt 2H J 9 71 | 21 21 t 1H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C[C@]1(c2ccccc2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)N1
ir: 5 3 0 2 3 2 2 3 4 2 1 4 6 4 3 3 9 2 2 4 7 2 1 3 6 3 2 3 3 2 4 19 10 9 3 5 11 10 32 14 23 100 9 1 3 4 2 3 2 1 2 3 3 5 11 5 2 3 2 4 2 2 2 2 2 2 4 7 9 4 4 6 2 5 4 5 14 3 4 4 2 1 3 5 3 2 3 3 1 3 6 4 7 7 3 2 2 3 4 3 2 2 2 2 2 1 2 2 1 2 3 2 3 3 4 3 2 5 6 3 4 4 6 4 2 3 3 3 1 5 7 3 5 5 4 18 7 12 42 16 7 3 4 3 6 16 10 9 4 2 3 2 7 11 4 4 54 24 4 3 5 2 2 2 2 2 2 2 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 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 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 2 2 2 2 2 2 3 2 2 2 3 3 6 4 9 13 20 36 60 19 11 8 5 16 2 4 3 2 2 2 3 2 1 2 3 2 2 2 2 2 3 10 11 21 16 7 6 3 1 2 2 1 2 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 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 2 1 2 2 2 1; 1HNMR: 75 74 m 2H | 74 73 m 2H | 73 72 m 5H | 60 60 s 1H | 48 47 m 3H | 37 36 ddd 1H J 35 62 132 | 35 34 ddd 1H J 36 62 132 | 29 28 dt 1H J 14 161 | 27 26 dt 1H J 14 160 | 23 22 ddd 1H J 35 62 137 | 21 20 ddd 1H J 35 62 139 | 17 17 t 3H J 10 | 15 14 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CNc2cc(Br)ccc2NC1=O
ir: 1 16 26 9 22 26 4 10 4 13 7 4 4 4 4 5 5 17 26 14 3 2 1 7 4 3 4 12 14 4 1 5 11 22 4 6 5 5 41 37 7 7 3 0 1 2 6 1 1 2 2 1 3 9 28 4 4 7 4 1 2 4 1 1 2 3 9 9 6 4 2 3 5 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 3 2 1 2 2 2 1 3 24 26 5 5 6 6 9 8 2 2 1 3 4 1 0 8 4 1 1 1 2 2 3 13 13 11 2 1 2 3 3 3 2 1 1 5 13 6 3 2 3 1 0 4 85 100 30 6 4 3 2 2 3 3 4 16 71 80 30 21 15 4 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 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 2 4 3 4 3 8 9 7 23 11 14 4 2 1 1 1 1 7 4 1 2 3 2 1 3 4 5 6 5 9 30 31 67 66 22 7 4 4 10 5 3 2 1 2 1 2 3 8 5 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: 90 89 s 1H | 75 74 d 1H J 81 | 73 72 dd 1H J 22 81 | 70 69 d 1H J 22 | 56 55 t 1H J 59 | 39 38 ddd 1H J 44 59 136 | 36 35 ddd 1H J 46 60 135 | 29 29 qt 1H J 44 65 | 12 11 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc(Oc2ccc(CN3CCCC(CCc4ccccc4)C3)cc2)nc1
ir: 4 3 3 5 6 3 4 3 4 5 3 4 8 17 21 17 6 13 17 11 7 3 3 4 3 3 2 5 7 5 6 11 8 3 6 7 10 16 20 27 30 6 5 8 5 2 4 4 3 0 3 9 5 19 10 9 11 10 6 5 2 1 2 3 2 1 2 7 5 22 10 5 5 4 3 7 7 3 4 5 5 20 10 3 2 3 5 8 6 8 7 5 2 3 4 4 4 5 8 10 4 7 4 3 9 6 3 2 2 3 5 3 3 5 4 5 6 6 6 3 2 2 4 3 3 6 5 2 2 3 4 2 2 8 11 7 8 29 9 4 2 7 31 54 9 7 5 15 25 4 9 31 14 3 4 3 4 13 42 10 6 27 15 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 3 3 7 5 11 10 33 100 26 15 11 5 3 3 3 3 2 2 2 2 2 2 2 2 3 7 2 2 2 2 2 2 2 2 2 3 3 43 52 11 4 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 1 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 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 85 85 d 1H J 20 | 80 80 dd 1H J 19 83 | 76 75 s 2H | 73 72 m 5H | 72 71 m 2H | 70 69 m 2H | 69 69 d 1H J 84 | 37 36 m 2H | 28 28 dd 1H J 42 113 | 28 26 m 3H | 26 25 m 2H | 18 16 m 4H | 16 14 m 2H | 14 13 ddt 1H J 64 90 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1n[nH]c2ncnc(N)c12
ir: 1 1 1 1 1 1 1 2 1 1 1 1 1 1 3 2 3 3 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 3 20 14 3 6 3 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 2 1 1 1 1 1 1 1 5 3 1 1 1 1 1 1 1 2 1 12 5 1 1 1 0 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 3 1 1 1 1 1 1 1 1 2 1 1 2 6 8 2 3 2 1 0 30 100 4 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 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 0 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 16 21 0 1 1 1 2 1 3 5 3 2 11 3 2 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 0 1 1 0 0 1 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 s 1H | 72 72 s 2H | 41 41 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COc2c1ccc(O)c2I
ir: 11 11 11 11 11 13 14 13 12 12 11 12 15 55 10 11 11 11 11 11 11 11 12 28 20 12 11 11 11 12 11 11 15 12 11 12 12 13 13 37 12 13 11 11 11 11 11 11 11 12 11 11 11 13 32 49 12 10 11 12 12 0 12 11 11 11 11 11 11 11 11 11 11 11 12 12 11 12 14 12 11 11 12 12 12 9 83 38 14 13 12 12 12 14 11 11 11 11 11 11 11 13 11 11 11 11 11 11 11 11 12 14 12 12 51 21 14 12 11 11 11 11 11 13 23 11 11 11 19 12 12 11 11 11 11 11 12 22 11 11 11 11 11 11 17 13 12 11 13 20 12 11 50 100 15 12 11 10 11 15 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 14 14 13 11 11 11 11 11 11 12 16 15 14 31 18 15 13 12 13 12 24 33 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11; 1HNMR: 77 77 d 1H J 90 | 68 67 d 1H J 90 | 64 64 s 1H | 51 50 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC2COCC(N2)C1=O
ir: 5 3 1 2 3 2 1 3 4 3 2 7 9 4 3 4 4 3 3 5 3 1 4 3 2 2 2 2 3 3 12 8 3 2 2 3 3 2 6 16 12 5 6 5 3 2 2 6 2 2 2 3 3 4 4 31 27 16 19 19 4 2 9 7 2 0 2 5 3 5 3 9 8 4 3 5 2 1 2 3 1 1 3 3 1 1 3 3 2 2 3 3 1 2 4 3 1 2 3 3 2 4 8 6 4 5 35 13 3 5 6 3 2 4 4 8 10 6 11 12 11 11 7 8 13 9 7 3 1 5 9 7 6 4 4 4 5 19 17 4 3 3 3 2 2 3 5 3 2 3 3 2 2 6 10 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 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 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 3 2 2 2 3 2 2 2 4 3 2 3 3 3 4 4 5 6 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 100 65 13 0 4 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 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 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 3 2 1; 1HNMR: 41 40 m 4H | 39 38 m 4H | 36 35 m 2H | 33 32 t 1H J 74 | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nsc(NC(=O)N(C2CCCCC2)C2CCCCC2)n1
ir: 1 3 4 3 2 3 4 2 2 3 4 5 5 8 6 2 2 4 6 4 4 4 5 3 5 5 20 32 4 5 4 4 5 7 4 7 11 6 5 6 7 2 11 27 100 78 11 0 4 11 10 7 14 12 6 9 18 10 9 4 4 5 3 1 3 4 4 1 3 4 2 2 3 5 3 2 6 12 3 2 5 5 3 1 3 3 2 2 14 7 3 11 4 4 4 5 7 3 2 3 4 8 3 4 55 18 6 5 7 8 11 37 9 27 28 32 15 15 5 19 15 10 2 4 9 3 3 4 6 5 3 4 3 3 2 4 4 5 3 9 4 3 3 4 4 4 7 8 71 21 23 33 59 9 4 6 5 0 2 5 3 0 2 5 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 2 2 3 3 2 3 4 5 3 3 5 4 2 4 10 6 1 9 6 11 5 11 9 7 23 65 27 6 4 4 4 2 1 3 3 2 1 3 4 2 2 3 4 3 2 4 5 4 3 14 21 13 33 51 65 42 6 5 3 3 3 3 3 2 2 2 2 2 2 3 2 2 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 2 2 2 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 99 99 s 1H | 33 32 m 2H | 27 26 s 2H | 19 18 m 4H | 17 16 m 8H | 15 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](CO)Nc1nc(NCc2ccc(C)s2)c2ncn(C(C)C)c2n1
ir: 3 3 4 4 5 9 7 11 10 17 10 20 76 18 25 5 9 3 8 6 7 4 8 6 9 10 8 6 8 11 5 16 19 7 20 3 4 6 7 4 6 8 9 19 11 33 6 16 9 9 17 15 6 2 5 11 5 6 3 4 3 7 3 4 4 2 3 5 5 4 17 5 9 6 20 9 9 10 4 4 4 3 3 3 5 14 17 55 48 30 16 9 13 29 71 14 12 4 6 5 3 24 6 6 12 6 28 14 16 11 13 8 3 23 13 20 50 33 16 21 19 23 23 23 28 21 12 11 15 15 12 8 5 6 5 5 1 2 2 2 2 1 1 4 3 3 5 2 3 1 2 2 1 1 1 1 6 29 1 1 1 1 1 1 1 4 10 50 9 1 5 17 16 3 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 2 2 1 1 1 2 0 1 1 1 0 1 3 4 3 14 4 5 10 7 5 12 5 6 14 14 9 16 36 66 100 22 12 9 15 20 4 15 10 5 37 6 5 2 5 3 7 3 7 12 13 17 78 26 11 7 4 5 2 1 2 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 48 | 77 77 d 1H J 7 | 67 67 dt 1H J 9 63 | 66 66 dq 1H J 9 64 | 65 64 d 1H J 81 | 50 49 dd 2H J 8 47 | 44 43 pd 1H J 7 53 | 39 38 m 3H | 37 36 m 1H | 24 24 d 3H J 7 | 18 17 dtd 1H J 59 66 130 | 16 15 d 6H J 53 | 16 15 m 1H | 9 9 td 3H J 13 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(c2cc(=O)n3nc(-c4cc(N)cc(Br)c4)sc3n2)CC1
ir: 12 8 5 4 15 7 12 5 3 4 13 12 5 4 1 5 10 6 14 2 1 1 3 9 53 4 2 2 2 4 3 3 1 1 1 1 2 4 2 1 1 2 1 1 1 1 4 2 5 1 1 1 1 1 1 12 2 2 1 1 5 2 2 2 2 4 16 15 5 12 8 4 4 6 3 2 2 1 3 29 31 4 8 12 2 1 1 4 7 9 3 9 2 3 1 1 3 1 4 5 5 1 2 2 1 1 2 2 4 2 8 8 6 3 3 3 3 9 12 10 7 9 8 11 4 4 4 5 3 9 7 5 1 3 4 6 2 2 3 3 2 0 1 3 10 65 13 2 1 0 5 47 8 3 11 74 6 2 3 21 4 18 35 46 8 7 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 2 1 1 1 1 0 0 0 0 0 1 0 0 0 0 1 1 0 0 1 0 0 0 0 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 0 1 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 2 1 1 1 2 1 1 2 5 2 1 4 12 13 13 8 33 17 10 5 3 1 2 1 1 1 1 1 1 0 0 0 0 1 17 21 4 0 0 1 1 0 0 1 4 3 100 48 22 1 1 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 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; 1HNMR: 75 74 t 1H J 22 | 70 70 t 1H J 21 | 68 68 t 1H J 22 | 55 55 s 1H | 48 48 s 2H | 38 37 m 5H | 35 34 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(O)cc3O)n(CCO)c2c1
ir: 100 12 16 7 15 8 10 11 1 7 8 7 4 5 3 1 2 2 5 5 2 4 9 1 4 5 2 2 1 1 2 2 1 4 3 9 3 3 4 3 8 6 3 1 2 6 2 8 4 3 2 2 3 23 20 27 14 3 4 7 7 6 3 6 9 11 18 39 8 2 4 4 6 4 4 17 12 13 15 51 19 14 77 4 9 8 9 20 14 26 52 87 27 9 6 8 10 11 12 3 4 7 0 2 2 1 2 2 7 10 7 8 9 11 4 13 18 13 19 4 6 4 2 5 18 4 4 5 1 1 1 2 2 1 3 2 1 1 1 1 2 1 1 1 10 27 7 18 5 1 13 3 10 2 6 2 1 0 1 1 1 1 11 2 1 1 0 1 1 0 1 1 0 0 1 1 1 0 0 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 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 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 1 2 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 3 1 1 1 1 2 3 3 2 3 2 3 3 10 24 8 11 42 44 6 3 2 9 2 10 64 31 10 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 0 0 0 1 0 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 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: 94 93 s 1H | 79 78 m 3H | 74 74 d 1H J 82 | 66 65 dd 1H J 23 81 | 64 63 d 1H J 24 | 42 42 t 2H J 36 | 42 41 t 1H J 55 | 39 38 m 5H | 29 28 p 1H J 54 | 20 19 m 2H | 17 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncc(-c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1N
ir: 1 1 3 2 4 7 1 1 2 2 2 4 9 2 4 10 9 5 2 1 2 2 3 2 0 2 2 0 1 2 1 2 11 2 1 1 1 1 2 5 6 11 8 2 2 3 3 6 6 3 2 3 1 2 1 3 5 1 1 1 1 1 1 1 1 1 1 5 2 2 2 1 1 1 0 1 1 0 1 1 2 1 1 1 0 1 0 0 1 0 1 1 2 4 1 1 1 1 3 2 1 1 0 0 1 0 0 1 3 1 0 2 2 2 1 2 1 0 1 1 1 4 2 1 0 1 1 1 3 3 2 2 1 28 1 1 2 4 1 2 1 8 3 2 17 2 2 11 2 1 9 12 7 4 3 4 2 5 9 9 1 0 5 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 1 1 0 1 0 0 0 0 0 1 0 1 1 1 1 1 2 1 6 21 10 6 2 0 1 1 1 1 0 0 1 0 0 0 0 0 1 2 12 3 2 2 3 14 9 5 1 2 1 2 100 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 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; 1HNMR: 95 95 s 1H | 79 79 d 1H J 16 | 77 77 dq 3H J 14 80 | 76 76 dd 1H J 12 78 | 75 74 m 2H | 73 73 t 1H J 79 | 72 71 d 1H J 16 | 43 42 s 2H | 39 39 s 3H | 23 22 s 3H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccc3cc[nH]c23)n1
ir: 15 7 5 3 3 2 1 2 4 3 5 4 1 2 4 4 1 1 1 3 5 2 6 8 5 6 13 7 2 2 2 2 5 8 6 6 14 38 17 16 6 16 4 4 4 3 3 8 4 2 1 0 1 3 2 1 1 2 1 1 2 3 2 7 6 4 25 20 11 7 2 4 2 3 5 1 2 1 1 0 1 3 0 1 4 92 5 1 0 3 5 1 1 4 1 1 4 3 13 44 1 1 3 10 0 1 1 1 0 1 2 3 2 2 1 1 0 1 2 1 1 1 1 1 0 1 1 1 3 2 15 3 6 4 2 1 2 3 2 1 3 6 4 6 29 6 4 0 8 100 8 19 10 4 14 10 68 17 10 3 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 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 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 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 2 3 3 10 18 10 2 7 6 1 1 1 1 1 1 1 1 1 1 1 2 3 2 4 6 3 7 6 27 26 9 4 2 3 3 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 0 0 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; 1HNMR: 85 85 s 1H | 83 83 s 1H | 79 79 dd 1H J 11 84 | 77 77 dt 1H J 13 76 | 75 75 m 1H | 73 72 dd 1H J 36 69 | 69 68 m 1H | 65 64 s 1H | 38 38 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C=CC1CCOCC1
ir: 1 1 1 1 0 1 2 8 38 3 2 1 1 1 1 3 6 1 2 1 4 7 12 24 2 3 1 3 12 2 1 0 0 1 0 0 0 0 1 1 3 1 1 0 0 0 0 0 0 1 3 2 2 1 1 2 1 0 1 0 1 1 0 0 2 1 5 4 9 3 13 21 2 1 22 5 8 3 1 1 1 4 5 50 46 10 3 3 1 1 1 1 1 2 3 2 1 2 1 1 1 2 2 4 7 5 20 5 3 9 7 7 4 2 0 3 2 8 3 4 1 9 4 12 6 3 3 9 14 47 3 5 12 5 57 8 2 2 2 2 1 5 19 79 5 3 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 2 2 5 5 3 4 10 8 6 18 8 15 39 35 100 22 6 1 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 65 m 1H | 61 60 dp 1H J 10 167 | 37 37 ddd 2H J 34 60 108 | 36 35 ddd 2H J 33 60 110 | 25 24 dpd 1H J 13 61 75 | 22 22 d 3H J 10 | 20 19 dtdd 2H J 9 33 60 129 | 18 17 dtdd 2H J 9 33 60 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(C)CN(c2cc(Cl)ncn2)C1
ir: 5 2 4 6 4 1 2 0 1 3 5 1 2 3 1 0 0 1 1 1 2 1 2 1 1 1 1 1 1 1 2 2 6 12 29 74 68 34 5 5 2 1 2 1 1 1 1 1 4 10 4 2 4 3 2 1 1 1 1 3 2 5 5 14 15 13 15 1 4 6 9 4 2 1 1 1 2 2 1 1 1 1 7 2 8 20 11 7 1 1 1 1 2 4 2 2 2 2 4 6 2 5 10 7 2 4 3 9 6 2 1 2 2 1 1 1 1 3 2 2 2 3 5 3 1 2 3 3 2 2 4 5 5 2 3 11 13 4 5 7 21 83 100 23 7 4 1 1 1 0 0 1 1 1 1 6 10 6 9 59 81 5 6 3 3 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 2 1 1 1 2 5 5 4 7 5 4 4 10 12 6 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 0 0 0; 1HNMR: 85 85 d 1H J 14 | 62 62 d 1H J 14 | 38 37 dd 2H J 51 130 | 35 35 dd 2H J 51 130 | 20 18 ht 2H J 51 67 | 17 16 dt 1H J 69 130 | 14 13 dt 1H J 69 128 | 9 9 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCN1CCC(NC(=O)c2ccc(N)n3ccnc23)CC1
ir: 17 12 3 4 1 4 5 11 9 3 1 2 2 3 1 2 9 3 2 2 1 1 2 4 1 2 1 2 1 3 33 50 15 4 2 1 0 1 1 3 2 4 1 0 4 4 4 21 87 100 6 3 1 2 3 4 1 1 1 2 1 1 5 18 8 3 7 3 1 1 2 2 3 6 2 5 5 4 3 6 11 4 4 2 7 6 4 3 1 9 9 1 2 6 5 5 2 2 3 1 2 2 2 1 3 3 2 8 7 9 6 4 2 2 1 1 1 9 9 2 3 2 1 1 3 2 4 2 1 3 5 3 2 1 1 1 1 5 8 10 4 3 0 2 4 4 26 29 4 13 14 23 21 6 3 4 12 31 22 31 1 3 3 80 8 2 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 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 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 0 1 1 1 0 1 1 3 1 1 1 1 0 1 2 2 1 2 3 2 1 11 15 13 13 10 5 2 2 1 0 1 1 0 0 1 1 1 9 19 5 3 5 5 3 10 26 14 10 7 20 30 4 2 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 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; 1HNMR: 82 82 d 1H J 68 | 77 76 m 2H | 75 75 d 1H J 46 | 67 67 s 2H | 62 62 d 1H J 68 | 39 38 dp 1H J 47 80 | 34 34 t 2H J 66 | 33 33 s 2H | 29 28 ddd 2H J 57 84 128 | 27 26 ddd 2H J 57 84 126 | 26 26 t 2H J 63 | 20 20 dddd 2H J 46 58 84 130 | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(Cl)cnnc1NC1CCC1
ir: 1 10 15 19 10 52 58 32 39 20 11 5 8 6 11 17 41 52 21 20 10 25 19 15 14 9 3 9 4 7 3 5 3 4 2 4 6 4 5 4 7 4 4 6 12 5 3 5 6 2 4 5 4 2 4 3 6 10 5 4 5 3 14 7 6 3 2 3 2 1 2 3 2 3 3 6 2 3 5 10 15 4 5 3 2 3 9 16 3 6 2 2 1 2 2 2 1 2 3 3 3 8 6 8 3 2 2 2 2 2 2 2 2 3 6 3 2 2 2 2 2 2 2 4 9 43 22 4 0 7 6 29 33 8 7 3 5 4 2 2 10 17 7 19 9 44 68 1 0 5 3 1 19 23 60 29 3 3 6 61 10 3 2 2 2 2 2 2 2 2 2 3 2 2 1 1 1 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 1 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 2 2 2 2 1 2 1 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 6 2 2 3 3 3 3 12 5 3 3 3 3 2 2 3 3 3 4 4 2 3 5 6 8 2 5 11 56 17 8 15 67 67 46 55 100 5 8 27 71 9 3 1 4 4 3 2 4 3 2 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 s 1H | 63 62 d 1H J 77 | 53 52 s 2H | 42 41 dp 1H J 45 76 | 20 19 m 2H | 19 18 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(Cl)c(Cl)c2)n1
ir: 1 1 2 1 1 2 1 2 1 2 2 3 5 6 4 4 3 3 3 3 1 1 2 2 3 2 3 8 11 3 1 1 1 1 1 2 4 2 2 3 16 2 4 1 1 2 1 0 1 1 3 3 1 5 5 4 2 2 1 1 1 2 1 0 1 0 1 1 3 2 2 2 2 1 1 2 1 1 0 1 3 5 1 1 1 1 1 3 1 1 0 2 5 1 2 3 1 1 4 2 1 1 1 1 3 4 6 2 2 3 2 2 1 2 1 2 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 1 1 1 7 3 2 1 1 0 2 2 1 15 28 100 5 4 6 11 17 3 1 1 1 1 0 2 1 0 0 0 0 0 2 11 6 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 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 1 2 1 1 1 1 1 1 1 2 2 2 6 10 3 2 1 1 2 1 1 1 1 1 1 0 1 1 1 1 3 9 2 1 2 2 8 15 12 3 1 2 1 24 6 1 1 0 0 0 0 0 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; 1HNMR: 79 79 s 1H | 75 75 dd 1H J 6 22 | 74 74 d 1H J 84 | 73 73 m 1H | 68 67 s 2H | 41 40 m 1H | 22 21 ddd 1H J 69 76 146 | 20 19 ddd 1H J 70 77 147 | 18 17 m 1H | 17 15 m 4H | 15 14 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1C(=O)N(CC)c2cc3c(cc21)OC(C)(C)C3
ir: 13 7 5 7 12 5 3 5 9 8 4 5 5 3 2 5 3 3 9 7 4 2 3 6 5 2 4 16 10 3 2 4 6 6 4 5 4 2 3 8 9 5 3 4 4 4 3 4 4 5 4 4 3 1 3 5 3 1 4 4 3 13 8 8 19 6 7 15 35 8 3 3 4 7 5 7 4 3 4 4 4 3 3 4 2 2 3 5 4 11 13 5 4 8 9 10 6 8 9 5 2 3 4 4 4 6 4 3 3 3 6 7 6 5 9 4 6 9 6 5 8 5 5 6 8 6 6 12 29 19 11 7 12 34 11 4 3 4 4 9 6 4 4 17 26 5 3 9 25 100 19 3 16 59 8 0 2 5 3 0 2 5 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 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 3 4 3 1 3 4 3 2 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 3 5 5 4 3 4 9 4 4 3 6 10 18 8 17 19 7 14 34 7 6 4 5 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 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 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 73 73 t 1H J 9 | 72 72 d 1H J 7 | 45 45 d 1H J 7 | 42 41 m 5H | 30 30 d 2H J 10 | 14 14 s 5H | 13 12 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1(CO)C=CN=C(c2ccccn2)C1
ir: 4 2 4 3 9 6 9 7 10 4 7 4 10 6 7 2 1 5 4 2 4 5 3 1 1 1 5 1 2 1 1 1 1 1 2 1 1 1 3 100 11 3 1 1 1 2 1 0 2 3 2 3 7 9 7 4 1 1 1 2 1 1 1 2 3 1 1 1 3 1 1 1 6 1 1 1 1 2 7 2 2 3 12 2 2 12 5 13 79 13 5 8 26 21 31 5 4 5 3 2 2 3 1 1 3 3 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 2 5 1 1 4 4 5 4 3 2 2 1 2 8 6 2 6 3 1 1 1 2 4 2 1 1 1 1 1 1 1 3 4 2 2 5 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 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 1 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 1 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 1 1 1 1 2 18 6 11 21 6 3 1 2 4 21 14 7 3 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 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; 1HNMR: 86 86 dd 1H J 16 42 | 79 78 td 1H J 17 72 | 77 77 dd 1H J 14 69 | 75 74 d 1H J 102 | 74 73 ddd 1H J 14 43 73 | 58 58 ddq 1H J 9 18 101 | 39 39 ddd 2H J 9 55 106 | 37 36 ddd 2H J 9 56 104 | 32 31 t 2H J 56 | 29 29 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC1(C)CCN(CC2COc3ccccc3O2)C1
ir: 9 4 8 6 7 3 6 5 4 8 5 5 3 3 2 2 3 2 2 5 7 3 2 3 3 3 6 16 13 2 1 3 3 1 2 4 3 1 5 5 9 42 22 28 8 6 4 3 3 9 5 7 3 4 5 6 17 11 5 2 3 5 5 2 18 11 5 66 6 23 42 28 9 9 13 43 7 21 36 100 19 12 11 11 22 12 24 33 12 12 4 7 9 10 7 13 9 5 10 11 6 3 7 6 4 5 9 5 3 4 6 5 4 3 3 3 2 6 6 6 4 5 8 16 8 6 6 4 2 5 6 3 3 4 8 5 4 39 3 4 5 7 15 11 3 3 3 2 5 9 3 3 2 2 2 2 2 2 3 7 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 2 2 1 2 2 2 2 2 2 2 1 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 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 3 2 4 6 9 3 4 6 6 5 5 15 23 24 13 80 30 16 4 0 3 4 2 2 2 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 69 68 m 4H | 47 47 p 1H J 40 | 44 44 dd 1H J 44 117 | 42 41 dd 1H J 44 117 | 35 34 d 1H J 110 | 33 32 dd 1H J 38 120 | 32 32 s 3H | 32 31 d 1H J 110 | 31 30 dd 1H J 37 119 | 29 28 m 2H | 27 26 ddd 1H J 33 53 121 | 26 25 dd 1H J 8 119 | 18 17 ddd 1H J 34 52 126 | 15 15 ddd 1H J 35 53 126 | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1c(-c2ccccc2)nn2ccc3occc3c12
ir: 1 1 1 7 4 1 1 7 0 2 2 1 1 7 17 1 1 1 3 1 1 1 5 3 1 27 11 6 4 4 4 29 3 6 7 4 2 1 1 1 2 100 3 1 2 1 1 1 1 1 1 9 1 1 1 1 3 2 20 1 1 1 1 2 1 2 1 1 16 6 5 1 1 1 2 5 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 7 10 4 4 4 4 1 2 1 1 3 3 22 2 1 1 1 1 0 1 4 1 1 2 2 2 1 3 2 1 2 6 2 1 1 13 1 1 2 2 1 2 12 12 8 9 8 18 14 2 3 8 4 5 6 1 1 12 2 2 14 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 12 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 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 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 1 1 2 2 2 3 5 3 4 24 27 80 32 18 13 47 3 5 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 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 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 82 81 d 1H J 11 | 79 79 d 1H J 73 | 76 75 m 2H | 74 74 m 3H | 71 71 m 2H | 40 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)Nc1ccc(Br)cc1
ir: 7 12 7 3 0 3 6 2 0 30 6 13 0 4 5 2 2 18 6 5 2 4 5 8 14 11 13 2 5 4 5 2 2 5 5 4 9 7 8 10 85 23 26 6 5 5 5 2 3 7 6 14 18 22 31 29 27 12 3 1 3 7 2 0 3 7 4 3 7 16 3 2 4 6 2 4 4 5 3 2 6 5 2 1 4 4 5 3 7 4 1 2 4 4 6 16 9 3 2 2 4 5 8 10 70 6 2 3 5 3 1 2 4 2 1 2 7 3 5 4 5 4 1 11 24 13 11 4 7 3 1 3 5 2 1 4 4 2 2 7 6 1 1 4 4 4 8 13 52 19 100 17 21 27 27 5 5 3 2 4 3 9 17 4 3 1 3 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 4 2 2 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 2 4 5 3 2 7 7 22 21 15 15 9 5 3 5 2 1 3 4 2 2 3 5 2 1 3 5 5 9 9 18 26 28 52 31 9 4 5 5 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 79 78 s 1H | 74 74 m 2H | 72 71 m 2H | 61 61 q 1H J 47 | 27 27 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1c(C(=O)c2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O
ir: 3 2 3 3 2 2 2 2 1 3 2 2 2 2 2 2 1 2 2 3 2 2 2 2 2 2 3 2 3 4 8 2 2 3 6 4 5 2 3 7 7 3 2 8 6 3 2 2 2 2 3 5 3 8 38 12 7 8 12 3 3 16 4 3 4 3 2 2 3 4 3 4 4 4 3 2 2 2 2 3 2 5 2 1 2 2 1 1 2 2 2 1 2 5 5 2 2 2 4 13 3 2 1 2 2 2 1 2 3 2 1 2 3 2 2 5 6 4 3 4 11 10 4 3 4 7 4 6 16 7 3 3 4 2 3 7 4 4 3 3 2 2 2 4 16 4 2 9 13 2 2 4 6 2 2 24 3 0 1 5 5 0 2 100 5 5 2 0 1 2 2 1 2 2 2 1 2 2 1 1 2 1 1 1 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 1 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 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 2 2 2 2 2 2 3 4 4 4 7 7 7 12 16 6 3 4 5 3 6 2 2 2 2 2 1 2 2 1 2 2 2 2 2 3 2 3 4 13 12 2 2 2 2 1 1 2 2 1 3 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 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 d 2H J 21 | 71 71 t 1H J 23 | 60 58 ddt 1H J 61 115 169 | 53 52 ddt 1H J 13 24 168 | 51 51 m 1H | 47 46 dt 2H J 14 61 | 27 26 q 2H J 77 | 23 23 s 6H | 12 11 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccccc2)n2nc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2n1
ir: 0 2 2 1 2 2 6 3 0 3 9 4 0 2 2 1 3 3 7 7 1 2 2 1 1 1 2 6 3 5 7 7 9 3 4 4 1 3 2 5 30 28 14 5 1 3 2 1 1 1 1 2 1 2 2 0 2 2 2 3 1 1 1 2 1 3 1 2 15 7 2 1 2 3 10 14 11 9 3 5 8 2 8 10 9 18 10 4 2 8 1 2 2 2 1 1 4 3 5 5 5 5 5 2 2 1 0 1 2 1 3 1 2 1 2 1 2 2 1 2 4 3 1 3 4 5 3 2 6 2 3 2 4 1 19 17 2 9 2 4 6 7 5 27 6 33 100 9 4 15 2 1 13 2 1 2 1 0 4 0 1 1 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 2 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 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 1 1 1 1 1 2 1 0 1 1 1 1 2 2 3 1 1 4 3 2 15 11 11 88 29 7 5 4 5 4 2 1 2 3 1 0 1 1 1 0 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 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 m 3H | 74 73 m 2H | 73 73 m 5H | 73 72 q 1H J 11 | 37 37 m 6H | 31 30 dt 2H J 53 113 | 30 29 dt 2H J 53 114 | 27 27 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(C)COc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1
ir: 26 18 29 23 64 31 23 20 20 40 36 68 24 9 17 7 12 8 10 14 14 5 5 7 5 27 0 7 4 2 3 4 4 3 3 4 4 4 6 5 5 19 100 39 10 6 11 14 5 5 13 10 9 9 5 12 9 4 8 5 7 4 8 10 5 4 6 15 19 19 25 19 21 11 13 16 20 21 11 7 6 6 9 26 26 65 29 18 13 35 46 16 22 19 21 12 15 15 10 18 69 12 10 23 4 6 8 6 7 6 6 10 9 26 24 13 11 13 19 31 29 31 14 16 6 7 14 17 16 37 31 18 12 10 38 22 34 28 36 6 5 8 6 18 30 49 12 8 28 56 27 74 4 6 4 4 3 4 3 2 5 5 3 1 2 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 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 2 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 4 4 6 7 10 5 6 8 8 14 6 7 2 8 19 21 10 92 32 28 96 87 10 8 6 4 2 4 5 3 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 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2; 1HNMR: 70 69 m 3H | 68 68 dd 1H J 12 82 | 42 42 dd 1H J 47 105 | 40 39 dd 1H J 46 106 | 36 36 m 4H | 34 33 m 4H | 31 31 qt 1H J 46 68 | 27 26 dq 2H J 67 121 | 25 24 dq 2H J 67 121 | 15 14 s 7H | 12 11 d 3H J 66 | 11 10 t 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC1c2ccccc2C(=O)N(CC(C)C)C1(/C=C/C(N)=O)CNC(=O)OC(C)(C)C
ir: 5 5 5 6 6 6 1 2 1 8 3 2 2 3 9 19 4 19 20 7 4 1 3 2 2 3 2 4 9 3 9 17 10 7 11 15 36 12 2 7 22 23 10 11 7 3 3 6 2 2 7 2 2 0 1 1 2 2 3 3 2 4 4 1 1 2 2 1 1 6 3 3 1 4 5 9 4 19 2 1 1 1 1 2 3 4 6 6 6 6 5 7 2 2 2 1 1 3 1 7 3 1 0 1 1 3 2 6 13 13 5 5 2 3 4 2 3 6 10 16 20 7 13 2 4 4 9 20 13 14 11 12 7 6 5 20 19 16 10 20 5 11 5 14 4 25 39 11 24 30 2 3 2 3 3 8 54 40 27 6 4 1 3 3 7 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 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 2 4 2 1 2 2 1 1 3 5 2 4 5 4 21 32 15 62 16 18 4 3 3 1 1 1 1 0 1 0 1 1 1 0 31 20 1 1 2 2 1 36 34 7 3 3 3 100 75 8 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 0 0; 1HNMR: 78 77 dd 1H J 17 83 | 75 74 m 3H | 69 69 s 2H | 67 66 ddt 1H J 9 18 150 | 65 65 d 1H J 150 | 55 55 t 1H J 51 | 53 52 dd 1H J 6 18 | 43 42 ddd 1H J 9 50 126 | 40 39 ddd 1H J 9 51 128 | 37 36 m 2H | 35 35 dt 1H J 56 113 | 34 33 dd 1H J 53 114 | 20 18 dtt 1H J 54 67 135 | 17 15 m 2H | 14 14 s 7H | 14 13 dt 2H J 69 138 | 9 8 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)Oc1cc(=O)n(-c2cccc(OC(F)(F)F)c2)c2ncccc12)c1ccccc1
ir: 3 5 13 9 3 4 4 2 2 4 5 2 1 6 10 6 3 5 4 2 1 4 4 4 3 5 5 2 3 4 9 10 13 5 13 6 19 12 19 2 29 44 21 24 6 7 5 20 8 6 3 1 4 4 3 0 2 4 2 1 3 6 15 13 4 11 24 35 22 9 6 4 6 5 6 2 3 4 10 8 4 4 2 2 3 3 5 12 5 9 17 7 9 4 4 4 12 18 11 40 27 29 10 4 5 3 2 5 5 8 8 5 8 6 4 4 5 5 2 5 8 3 3 4 9 8 9 5 10 4 4 5 6 2 8 42 5 4 2 13 32 38 32 22 13 22 7 7 4 4 47 7 21 8 23 16 7 3 5 16 4 1 27 55 6 5 2 2 2 3 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 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 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 2 2 4 3 2 2 3 2 2 2 4 3 2 4 5 5 4 12 12 19 100 41 50 15 12 6 5 4 3 4 4 4 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 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 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 86 86 dd 1H J 21 47 | 80 80 dd 1H J 21 83 | 75 75 ddd 1H J 13 22 73 | 74 73 m 4H | 73 73 s 4H | 72 72 dd 1H J 48 84 | 72 71 ddd 1H J 12 22 73 | 61 61 s 1H | 39 39 q 1H J 76 | 15 14 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2nc(O)nc(O)c2CN1Cc1ccccc1
ir: 3 3 27 30 12 5 2 3 3 1 0 1 5 3 4 3 7 2 0 1 2 1 1 1 1 0 1 2 2 2 4 7 8 13 10 6 3 2 3 8 26 9 2 4 2 1 1 2 2 2 2 1 1 0 1 2 2 2 2 3 1 0 2 2 2 1 4 4 4 3 3 3 3 2 2 2 1 2 5 16 8 3 2 2 1 1 1 1 1 3 3 2 0 1 1 2 1 2 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 3 3 2 1 1 3 3 1 1 1 1 1 1 7 11 2 1 1 1 1 1 1 4 6 7 13 43 3 1 0 3 13 2 3 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 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 2 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 2 2 2 4 5 3 3 1 1 1 1 1 1 15 100 49 2 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 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: 94 93 s 1H | 74 73 m 5H | 73 72 m 1H | 47 47 d 2H J 9 | 45 45 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1CN
ir: 1 1 2 2 2 3 1 2 0 1 1 1 1 1 1 2 2 1 2 2 2 3 2 2 2 3 1 2 1 2 2 3 2 2 2 2 5 5 11 30 21 11 24 12 3 3 2 3 10 9 21 1 26 14 9 6 4 2 4 3 4 4 4 2 1 1 2 4 4 5 8 12 11 2 2 3 2 3 2 5 18 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 1 2 1 1 2 3 3 1 3 5 0 1 2 1 2 1 1 1 1 5 2 2 2 3 4 7 4 4 5 11 1 4 6 5 5 5 8 3 2 1 1 4 2 2 2 2 1 1 3 6 8 4 21 4 7 22 8 4 12 4 3 7 5 16 5 1 2 4 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 2 1 1 1 1 2 1 1 1 6 3 10 15 8 3 2 1 1 1 1 1 1 2 1 1 2 5 3 3 3 1 3 3 2 15 19 100 34 7 3 1 3 2 2 1 2 1 0 0 1 1 0 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 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: 91 90 s 1H | 79 78 s 1H | 78 78 d 1H J 89 | 75 74 dd 1H J 21 80 | 73 73 dddt 2H J 9 20 39 51 | 73 72 dp 1H J 9 17 | 71 70 dq 1H J 10 79 | 70 69 t 1H J 52 | 46 45 m 2H | 45 45 dd 1H J 9 135 | 44 44 dt 2H J 9 53 | 39 39 td 2H J 9 62 | 27 26 ddd 1H J 53 81 154 | 25 25 ddd 1H J 53 81 152 | 24 23 d 3H J 10 | 23 22 m 1H | 17 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CC(C(=O)O)N2C(=O)C(C)CS
ir: 0 3 4 3 2 2 4 2 3 5 11 7 3 6 7 9 8 4 8 8 60 27 5 2 2 6 7 2 1 4 3 1 1 3 5 3 7 9 3 2 1 2 3 8 2 3 3 1 3 5 6 4 17 10 7 17 4 3 3 1 3 4 3 2 3 3 8 14 12 7 3 1 3 5 2 2 3 9 14 33 9 4 6 3 4 16 6 2 3 2 4 3 3 3 4 8 6 2 0 1 3 2 2 2 4 3 1 3 4 3 5 5 6 3 2 2 2 3 1 2 3 2 3 2 4 2 2 3 6 4 1 2 3 4 3 2 2 1 1 2 2 1 6 22 3 1 2 100 4 1 2 7 6 8 2 2 2 0 1 2 1 0 2 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 1 1 1 1 1 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 1 56 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 2 2 3 1 1 3 6 2 3 4 5 4 14 7 6 4 1 2 2 1 1 14 20 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 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 1 1 1 1 1 1 1 1 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; 1HNMR: 70 70 d 1H J 86 | 68 67 m 2H | 48 48 t 1H J 65 | 38 38 s 2H | 34 34 ddd 1H J 8 64 137 | 32 31 ddd 1H J 9 66 138 | 29 29 qt 1H J 55 68 | 28 28 ddd 1H J 56 75 117 | 26 25 ddd 1H J 55 75 117 | 18 17 t 1H J 75 | 12 12 d 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)ONC(=O)N1N=C(c2cc(F)ccc2F)SC1(CCCN=[N+]=[N-])c1ccccc1
ir: 6 3 7 3 1 2 7 3 1 5 8 4 3 3 4 4 2 2 2 2 2 3 10 3 4 4 6 8 2 3 5 9 2 6 12 16 10 8 15 23 23 55 14 1 2 4 2 2 3 3 1 4 2 20 42 13 2 2 3 3 5 5 4 4 2 5 5 23 14 5 12 5 2 3 2 4 3 3 2 3 9 2 1 1 2 2 7 2 4 3 2 1 2 2 1 2 3 6 3 4 9 8 6 16 5 4 0 8 3 2 1 15 11 3 4 3 4 3 4 20 7 8 4 9 4 5 4 5 5 7 3 4 2 4 5 29 11 1 0 6 8 27 5 45 39 35 9 10 24 55 8 4 4 19 6 17 2 2 1 0 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 2 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 2 2 3 2 2 2 3 2 3 2 2 4 4 8 18 29 9 24 100 64 11 5 2 2 2 3 1 1 2 2 1 1 1 1 1 1 1 2 2 4 6 18 6 13 3 3 1 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; 1HNMR: 75 74 m 3H | 74 73 m 3H | 73 71 m 2H | 64 64 s 1H | 34 33 m 2H | 27 26 dt 1H J 55 126 | 24 23 dt 1H J 55 126 | 20 19 dp 1H J 56 126 | 19 18 dp 1H J 56 125 | 13 12 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(OC)cc(OC)nc1N
ir: 6 11 9 8 7 3 9 7 3 5 6 3 3 2 5 5 7 3 3 3 6 6 9 7 4 9 5 8 7 8 4 5 3 2 2 2 3 5 18 34 20 57 21 6 5 3 3 4 3 2 3 3 2 1 2 1 2 4 2 3 3 4 2 4 6 13 20 15 9 3 2 5 4 1 2 2 3 1 4 9 7 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 7 7 3 2 2 1 1 2 4 3 3 2 2 4 2 1 1 1 1 1 1 1 2 3 9 13 2 3 2 2 4 5 6 4 5 10 9 29 23 10 19 3 3 4 22 100 25 3 8 6 39 33 3 2 0 2 3 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 1 0 1 1 0 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 0 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 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 2 2 4 3 1 1 1 1 0 1 1 1 0 1 1 0 0 2 4 10 67 34 5 3 2 1 1 1 2 2 3 3 31 24 32 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 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; 1HNMR: 77 77 s 2H | 59 59 s 1H | 40 40 s 3H | 39 39 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.
CC1=C(C)C(=O)C(C(C)(C)C)=CC1=O
ir: 4 5 11 2 0 1 1 2 1 7 3 1 1 1 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 1 0 4 1 0 1 2 1 9 31 3 1 1 1 1 1 1 1 3 100 5 1 0 1 2 1 1 1 1 1 0 2 10 1 1 2 4 11 36 12 4 2 3 2 1 1 0 1 1 1 1 1 1 3 1 1 1 0 1 1 1 1 1 0 1 2 2 5 1 1 0 1 1 1 1 1 1 2 19 16 3 2 1 2 1 1 15 54 9 10 9 18 9 8 3 3 1 2 2 4 2 3 2 4 4 8 1 1 1 0 1 1 1 1 1 1 78 8 2 2 1 4 16 97 7 2 0 1 1 0 0 0 0 1 1 4 14 6 5 1 1 1 1 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 0 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 2 3 1 1 1 1 1 1 1 1 3 2 3 6 15 34 6 4 11 9 14 8 2 2 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 0 0 0 0 0 0 0 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: 64 64 s 1H | 21 21 q 4H J 10 | 21 21 q 3H J 11 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccccc1N1CCN(CCn2c(CC)nc3ccccc3c2=O)CC1
ir: 2 3 4 3 3 5 4 3 3 4 6 3 3 3 3 3 3 3 3 2 2 2 3 2 3 2 3 3 9 22 5 9 14 4 9 2 4 5 5 0 2 12 46 100 13 5 8 24 8 0 3 8 4 3 3 9 7 2 3 7 5 8 7 8 4 2 6 4 4 6 5 9 18 10 8 16 4 4 4 5 17 21 11 12 11 11 6 4 3 4 3 3 2 2 3 3 4 4 6 7 9 8 7 4 2 3 4 3 2 3 4 5 6 5 4 6 6 7 8 4 2 2 3 4 2 6 6 9 7 4 4 3 2 4 8 9 7 21 9 6 5 9 4 6 17 20 4 3 11 13 3 3 3 4 11 5 4 11 9 4 4 7 5 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 3 3 3 3 3 3 4 5 3 3 3 4 4 5 3 11 7 14 76 41 6 4 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 82 81 dd 1H J 13 79 | 77 77 ddd 1H J 14 70 83 | 76 76 dd 1H J 13 84 | 75 74 ddd 1H J 13 69 81 | 70 69 ddd 1H J 19 72 82 | 69 69 m 1H | 69 68 m 1H | 68 68 dd 1H J 12 81 | 41 40 m 4H | 30 30 m 4H | 28 27 m 6H | 27 27 t 2H J 62 | 14 14 t 3H J 62 | 12 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc(COS(C)(=O)=O)cc2-c2ccc(Cl)c(Cl)c2)cc1
ir: 2 8 12 10 14 4 2 2 1 2 2 3 4 3 2 2 1 2 3 1 1 1 1 1 1 1 2 1 1 1 1 2 2 4 4 1 2 2 4 5 10 1 1 1 1 0 1 1 1 0 1 2 2 3 36 26 5 4 7 2 2 8 2 5 1 4 17 7 6 6 2 4 8 11 10 12 8 4 1 3 2 1 1 2 1 3 6 16 82 7 3 2 5 2 5 1 2 1 2 3 14 21 1 2 4 2 1 1 2 1 0 1 1 1 0 1 2 2 2 3 3 6 12 5 7 6 2 1 1 2 1 4 7 3 1 3 3 17 1 1 1 1 4 2 1 1 4 6 13 9 9 4 4 5 2 15 2 1 1 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 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 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 1 0 1 1 1 0 1 1 0 0 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 2 4 31 12 6 17 100 11 19 6 4 2 3 1 1 1 1 1 1 1 1 1 0 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 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 1 0 1 1; 1HNMR: 77 77 d 1H J 21 | 76 75 m 4H | 75 74 dd 1H J 20 79 | 71 71 m 2H | 69 69 d 1H J 9 | 51 51 d 2H J 9 | 38 38 s 3H | 32 31 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN1CCN(c2cc(Cl)cc(C(F)(F)F)c2)CC1
ir: 8 4 2 2 5 2 1 6 5 5 2 12 5 3 5 6 6 3 4 4 4 2 3 4 5 3 7 22 6 5 8 6 8 3 2 3 3 1 2 3 2 2 2 3 3 5 5 4 10 3 3 4 3 3 5 5 10 6 5 3 5 4 9 7 8 17 57 60 41 3 14 42 14 24 8 6 3 4 43 61 19 9 5 23 37 11 8 5 6 4 8 6 5 34 10 12 3 8 46 28 100 6 5 9 3 3 4 3 6 10 26 9 3 7 18 10 1 9 7 35 12 5 6 5 4 5 5 19 15 10 8 8 3 4 9 10 5 20 19 9 4 4 3 3 2 3 3 2 3 3 3 9 3 3 2 3 3 3 4 23 4 15 49 2 3 6 4 0 2 5 2 0 2 4 2 1 2 4 3 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 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 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 4 3 2 2 3 3 3 4 5 4 2 3 4 9 3 7 9 18 15 36 51 24 31 15 17 8 8 14 8 3 3 3 3 2 2 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 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 2 2 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 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 t 1H J 22 | 71 70 t 1H J 22 | 68 68 t 1H J 22 | 59 58 ddt 1H J 56 115 172 | 52 52 ddt 1H J 13 24 168 | 51 51 m 1H | 34 34 m 4H | 30 30 dt 2H J 14 57 | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCC#Cc1ccc(N)cc1
ir: 26 10 18 5 1 6 6 3 3 4 2 3 1 2 3 2 2 2 2 1 1 2 2 2 2 2 3 2 1 2 1 1 2 2 2 2 3 2 3 2 4 3 2 4 3 4 3 3 2 2 3 2 6 3 19 18 17 25 7 3 3 5 5 3 2 2 1 2 1 6 2 1 1 2 2 2 6 2 6 5 4 2 1 1 1 1 5 9 9 5 13 1 1 2 1 1 1 1 1 2 2 1 1 2 6 3 39 6 1 2 3 2 3 4 2 2 2 4 6 5 6 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 5 3 1 3 5 9 9 9 36 100 12 4 1 1 6 49 18 6 0 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 2 3 3 3 2 2 4 4 4 4 11 12 32 7 11 3 6 1 2 1 1 1 2 1 1 1 1 1 2 3 27 25 2 2 1 1 1 1 1 2 15 33 11 55 32 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 73 73 m 2H | 66 65 m 2H | 36 36 s 2H | 25 24 t 2H J 60 | 16 15 p 2H J 61 | 14 13 m 4H | 13 12 m 5H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c2c(N3CCNCC3)nccc21
ir: 9 4 6 11 5 11 5 9 8 4 5 3 9 6 7 5 3 13 16 13 36 7 9 8 16 5 7 19 6 4 15 14 9 5 7 0 19 20 43 63 69 13 11 57 86 31 15 23 14 37 14 21 89 88 41 3 18 19 7 5 8 13 15 12 5 7 11 6 35 21 23 28 34 14 13 19 8 5 6 4 8 7 6 16 7 11 8 15 9 66 20 25 9 8 9 6 5 10 68 7 10 7 7 4 3 4 6 10 25 97 24 9 8 15 18 27 44 20 8 9 23 18 41 36 16 13 21 10 20 18 10 6 6 8 76 34 60 33 14 7 7 13 25 32 18 10 8 6 8 38 32 10 33 33 12 78 7 8 12 23 6 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 6 3 2 1 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 3 2 3 3 2 3 4 4 6 9 7 7 4 3 4 4 6 18 30 34 27 43 100 53 29 8 5 3 10 9 5 5 3 2 4 4 5 5 5 5 33 27 5 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 1 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; 1HNMR: 80 80 d 1H J 56 | 76 76 m 1H | 75 74 m 1H | 74 72 m 8H | 53 53 d 2H J 10 | 53 52 d 2H J 8 | 36 36 m 4H | 29 29 m 4H | 20 19 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C(OC)C(=O)C(Cc2ccc(-c3ccccc3)c(C(=O)N3CCCCC3)c2)=C(C)C1=O
ir: 4 2 4 4 1 3 4 2 1 2 3 1 2 11 6 5 4 3 2 3 3 2 3 3 0 2 2 3 3 7 1 8 4 3 3 15 4 4 3 4 37 20 35 13 29 2 3 2 1 2 4 5 3 11 11 7 5 3 2 1 2 3 1 1 2 4 8 6 14 6 12 3 3 3 3 2 4 5 7 1 4 4 2 3 1 2 2 3 5 3 15 14 3 2 1 1 4 3 0 2 1 2 1 1 1 1 2 1 2 1 3 1 3 7 9 3 6 15 6 5 14 18 1 7 5 3 7 3 4 2 3 3 3 2 34 41 4 3 1 6 11 5 4 13 20 8 35 11 28 28 3 2 2 1 2 1 1 0 1 1 0 0 1 3 1 0 0 1 1 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 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 0 1 2 2 1 1 4 2 2 2 2 1 3 3 4 12 8 2 14 100 23 9 7 1 3 2 1 0 1 3 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 m 2H | 75 73 m 6H | 39 39 s 5H | 38 37 h 2H J 9 | 36 35 m 4H | 22 22 t 3H J 10 | 18 17 m 4H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)c(I)cc1NC(C)C(=O)O
ir: 1 1 1 1 1 1 1 1 1 2 1 2 3 2 4 5 1 12 7 13 6 44 100 26 8 12 16 9 12 14 5 5 3 1 2 2 1 1 2 1 1 0 1 2 1 0 1 1 2 3 2 1 1 0 0 1 0 0 1 1 2 3 1 1 1 3 6 4 12 10 5 1 9 4 3 3 2 9 17 4 29 11 4 2 2 1 1 3 4 1 5 2 1 1 3 1 1 4 2 1 0 0 1 1 4 4 2 1 3 7 2 1 1 1 2 1 1 4 2 4 9 20 7 3 2 2 2 2 2 3 1 1 1 2 6 2 1 2 11 14 1 2 4 51 35 0 1 1 2 0 1 4 23 12 3 2 1 0 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 1 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 1 0 0 0 0 0 1 0 1 0 1 0 0 0 0 1 0 0 1 1 2 1 1 1 5 1 17 69 3 2 1 1 1 1 0 0 6 53 2 1 1 1 1 1 2 1 1 1 0 0 6 12 54 36 11 3 5 4 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 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; 1HNMR: 74 73 s 1H | 69 69 s 1H | 66 65 d 1H J 82 | 43 42 dq 1H J 61 82 | 39 39 s 3H | 14 13 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1OC2(CC(c3ccncc3)Oc3ccc(Br)cc32)N=C1N
ir: 1 1 2 3 3 3 2 2 2 2 3 9 2 1 4 10 2 2 6 4 11 9 3 3 8 3 4 5 7 9 5 4 7 15 3 8 14 17 15 6 7 5 6 6 7 2 3 2 3 5 3 2 4 11 10 1 1 1 1 2 1 1 2 9 2 2 12 7 5 3 11 9 12 3 1 2 2 1 3 2 2 4 8 4 1 2 2 1 1 1 4 4 3 2 1 1 1 5 4 2 1 1 1 1 9 3 4 4 2 1 4 13 0 1 1 1 2 4 3 1 2 1 2 2 8 8 1 4 2 4 4 3 3 1 2 2 3 3 4 16 51 27 31 16 5 7 6 16 10 100 24 14 6 2 1 2 1 1 1 3 11 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 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 0 1 1 1 1 1 3 4 4 6 24 9 6 3 1 0 1 0 0 1 1 0 1 1 1 1 2 3 15 30 4 3 4 1 1 2 1 1 1 5 52 11 1 2 1 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; 1HNMR: 87 87 m 2H | 77 76 d 1H J 22 | 75 75 dd 1H J 22 82 | 74 73 dt 2H J 8 40 | 70 69 d 1H J 83 | 58 58 s 2H | 55 54 m 1H | 31 31 s 3H | 30 29 dd 1H J 60 141 | 28 27 dd 1H J 60 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)C1
ir: 2 2 4 5 5 9 4 3 4 6 13 5 3 5 4 4 34 21 11 8 8 10 3 4 4 3 2 3 2 4 5 6 8 3 3 6 4 4 7 2 15 45 44 67 24 18 5 4 3 1 2 3 3 1 7 10 24 4 3 3 1 2 3 1 2 2 2 9 15 5 2 3 2 1 3 3 2 4 4 1 3 14 25 3 1 2 3 2 1 6 2 2 2 2 2 2 1 2 2 1 2 2 4 5 2 4 3 1 2 3 5 8 4 2 10 8 4 3 3 4 3 3 2 5 3 3 8 10 13 10 13 13 5 8 6 7 3 3 1 3 7 11 10 100 6 4 4 30 4 6 18 71 29 12 4 4 5 23 66 68 5 5 15 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 2 2 1 1 2 2 1 2 2 3 4 4 4 16 11 20 44 29 10 10 4 2 1 2 2 1 1 1 2 2 1 2 1 12 45 4 4 1 0 2 3 0 0 2 2 0 15 64 12 3 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 80 79 d 1H J 86 | 79 78 m 2H | 74 73 m 2H | 73 72 s 2H | 71 70 m 4H | 70 70 m 2H | 40 40 m 1H | 38 36 m 3H | 36 35 ddd 1H J 60 79 121 | 24 23 dddd 1H J 44 61 79 140 | 21 20 dddd 1H J 44 61 79 140 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)CC(C)(C)c2cc(C(=O)C=Cc3ccc(C(=O)O)cc3)ccc21
ir: 0 2 3 4 4 3 6 2 7 4 14 13 22 17 7 4 3 8 9 22 48 100 88 10 18 6 6 11 18 2 4 3 2 3 2 1 3 2 5 2 2 4 2 4 3 2 8 3 13 40 21 7 19 2 10 5 6 4 6 18 11 3 3 6 2 2 2 2 3 6 6 3 3 3 12 7 6 6 30 60 4 3 2 2 3 5 6 11 7 2 3 3 2 3 2 2 2 3 2 3 3 3 5 3 9 3 2 2 2 3 6 11 7 5 7 25 9 3 4 7 5 4 4 7 9 16 5 2 5 6 8 4 4 5 4 3 7 4 6 4 7 3 20 10 22 18 2 7 30 12 46 40 9 5 4 4 4 10 10 5 3 2 2 4 5 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 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 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 2 2 1 1 2 2 8 13 27 15 30 58 21 17 4 3 3 2 2 1 6 45 9 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 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; 1HNMR: 80 80 m 2H | 79 79 m 2H | 78 77 dd 1H J 9 159 | 76 76 m 2H | 75 74 d 1H J 159 | 74 73 d 1H J 69 | 35 35 s 3H | 28 28 s 2H | 14 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)N(CCN(CCc1ccc(O)c2c1OCC(=O)N2)C(=O)OC(C)(C)C)[C@H](C)CCCC
ir: 4 8 5 6 4 7 18 5 5 8 10 10 4 16 8 9 5 7 5 7 6 4 9 3 12 5 3 13 6 13 5 49 65 63 15 4 2 3 2 3 3 3 4 4 2 2 5 10 25 46 5 3 5 6 11 10 2 2 2 5 2 4 2 8 4 3 3 3 1 3 4 7 12 7 8 4 2 5 4 16 100 31 7 8 6 7 5 10 14 55 29 9 6 6 3 2 1 2 5 4 2 5 12 13 13 3 3 4 0 5 3 8 3 4 4 2 2 6 17 14 13 10 5 7 23 14 11 6 28 13 11 9 33 6 3 3 3 5 6 8 5 9 18 26 5 3 4 5 88 4 11 30 8 2 1 1 1 4 12 11 21 2 1 1 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 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 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 1 0 0 0 0 1 2 2 2 2 7 5 5 3 3 4 3 5 4 7 8 6 5 22 33 6 17 10 18 8 5 5 4 4 5 44 37 11 3 1 2 2 1 2 2 1 0 1 3 4 3 24 36 38 3 1 2 1 1 1 1 3 2 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 0 0; 1HNMR: 86 86 s 1H | 85 85 s 1H | 68 68 dt 1H J 9 91 | 67 66 d 1H J 90 | 63 62 dd 1H J 113 168 | 59 58 dd 1H J 23 168 | 58 57 dd 1H J 24 114 | 47 47 s 2H | 37 36 dt 1H J 68 136 | 36 34 m 3H | 35 33 m 4H | 29 29 td 2H J 9 62 | 17 16 dtd 1H J 66 83 126 | 15 12 m 17H | 9 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Cl)c(C2=NCCN2)c(Cl)n1
ir: 2 6 7 6 6 17 9 8 7 6 5 5 3 3 2 4 5 7 8 7 9 8 8 5 4 5 4 4 2 7 3 3 1 2 2 3 5 10 9 23 30 13 8 6 6 5 3 2 4 1 2 3 3 0 2 2 1 1 1 1 2 1 1 4 1 0 5 9 2 0 1 3 4 2 1 0 1 0 1 1 3 2 1 1 0 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 10 2 1 1 1 1 1 1 1 2 1 2 11 3 2 5 1 2 2 1 1 1 1 1 5 4 2 11 14 16 2 5 3 1 2 4 5 11 29 21 100 9 5 8 57 6 4 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 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 1 0 0 0 0 0 0 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 0 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 9 1 1 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 1 3 3 11 14 3 4 3 16 27 8 2 8 4 3 5 84 2 1 1 0 1 1 1 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 66 65 s 2H | 63 62 m 1H | 36 35 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O
ir: 0 0 1 1 1 0 1 1 2 2 4 2 2 4 5 2 4 10 10 18 19 14 7 9 6 2 2 1 2 0 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 4 5 2 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 1 1 3 2 3 4 14 9 11 3 3 3 1 1 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 3 2 4 6 1 1 2 1 1 1 1 0 1 1 0 1 0 0 0 1 0 1 0 0 1 1 1 1 1 2 6 8 8 3 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 5 6 3 1 1 1 1 1 2 13 100 8 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; 1HNMR: 84 84 d 2H J 22 | 79 79 d 2H J 86 | 78 78 dd 2H J 22 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COc1ccc(CC(=O)c2cccnc2)cc1
ir: 3 3 2 4 6 5 3 4 3 3 3 1 1 1 1 4 6 5 2 2 2 4 2 2 3 6 3 2 2 3 2 3 5 17 33 14 4 4 11 2 7 2 6 2 2 1 1 2 2 2 1 1 1 8 5 12 30 6 6 3 1 1 4 18 5 11 10 6 6 15 4 2 1 3 6 9 2 2 2 6 4 2 2 0 1 1 4 3 2 1 2 2 0 1 2 2 0 2 3 3 4 6 2 1 1 0 2 4 2 1 1 3 4 10 11 10 5 5 4 7 6 4 9 13 31 6 5 2 2 8 6 4 1 1 1 0 0 1 2 3 3 5 13 14 27 11 5 21 39 6 3 1 5 12 8 2 1 1 1 0 10 7 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 0 1 1 1 1 1 0 1 4 3 1 1 1 1 0 3 19 7 2 43 100 25 9 3 2 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 91 91 t 1H J 18 | 88 87 ddd 1H J 16 26 45 | 83 83 m 1H | 74 74 dd 1H J 48 77 | 73 72 dq 2H J 9 88 | 69 69 m 2H | 47 47 s 2H | 43 42 m 4H | 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.
COC1(c2cccc(CS)c2)CCOCC1
ir: 2 3 1 2 2 7 5 1 3 1 4 2 3 1 1 3 3 10 6 2 1 2 5 3 3 10 9 2 2 2 3 16 23 11 13 2 5 16 23 8 75 93 13 29 17 40 60 9 59 72 15 18 6 1 5 26 5 8 8 1 25 0 1 2 5 5 3 8 8 39 21 3 3 22 18 6 5 1 2 8 4 3 3 3 1 4 3 9 71 8 7 3 3 2 5 7 4 2 2 4 4 2 1 1 0 1 2 3 4 9 24 7 18 8 5 6 16 24 11 6 6 4 9 10 4 13 4 9 12 24 20 26 28 12 4 4 2 3 3 4 10 36 13 3 3 2 1 1 1 1 1 1 3 15 3 6 3 2 1 0 1 3 17 1 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 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 1 0 1 2 2 2 1 1 1 1 1 2 1 1 1 3 1 1 1 2 1 2 100 66 3 2 1 1 2 1 2 1 2 1 1 2 1 1 2 2 1 2 3 3 3 11 14 9 9 6 4 3 9 9 28 39 23 28 58 46 10 10 5 3 2 2 2 1 2 2 1 1 1 1 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 0 0 0 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 m 1H | 73 73 tt 1H J 9 21 | 73 72 m 2H | 39 38 ddd 2H J 37 64 114 | 38 37 m 4H | 30 30 s 2H | 22 22 ddd 2H J 38 64 148 | 20 19 ddd 2H J 38 64 146 | 17 16 t 1H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc([C@@H]2[C@H](c3ccccc3)N2c2ccccc2)cc1
ir: 1 1 1 1 1 3 3 8 4 4 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 2 8 3 3 8 6 4 3 13 31 25 3 7 4 19 29 7 37 100 2 3 1 0 1 1 1 1 1 1 1 2 1 2 14 2 2 1 1 3 4 2 1 2 17 11 7 4 3 2 3 6 14 20 9 2 4 2 3 19 6 23 1 1 2 1 1 1 16 2 2 3 2 2 1 2 5 9 14 2 3 5 21 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 2 1 1 2 1 1 2 2 3 10 54 1 3 2 4 4 18 10 13 28 5 4 24 5 2 9 12 7 6 2 1 1 1 1 2 5 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 1 1 1 2 1 0 1 2 2 0 4 6 23 12 30 72 39 26 16 8 8 5 3 1 3 3 1 0 1 2 1 0 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 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; 1HNMR: 74 73 m 8H | 73 72 m 4H | 70 69 m 2H | 69 68 tt 1H J 13 77 | 42 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(/C=C2/C(C)=C(CCC=O)c3cc(F)ccc32)cc1
ir: 3 3 2 4 6 5 4 3 6 4 7 2 2 10 8 7 6 1 2 3 1 1 1 1 1 1 2 4 1 2 2 1 2 4 6 7 1 2 1 0 1 2 2 1 2 4 1 4 1 5 4 9 20 41 100 48 40 1 4 7 8 6 7 9 6 1 3 30 27 2 8 4 2 5 2 2 1 1 1 1 1 1 1 1 2 2 4 4 2 4 3 7 3 2 2 2 5 3 3 3 3 3 3 25 17 2 2 2 3 3 3 8 9 5 6 5 5 9 10 11 10 11 16 11 4 3 3 3 4 11 4 2 1 2 6 4 1 2 2 1 1 3 4 3 11 6 48 26 37 56 2 22 11 28 5 4 2 4 11 2 1 0 10 1 3 7 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 2 3 8 2 2 3 2 6 5 4 4 7 4 6 9 10 60 18 50 94 58 23 8 6 9 2 1 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 97 tt 1H J 9 55 | 77 77 dd 1H J 50 85 | 76 76 s 1H | 75 75 m 2H | 73 72 m 3H | 71 71 ddd 1H J 27 84 101 | 33 32 td 2H J 9 85 | 26 26 td 2H J 55 85 | 25 25 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1cc(C(=O)O)ccc1F
ir: 6 20 6 30 11 5 4 6 3 2 1 9 12 9 13 7 10 10 5 12 33 27 34 25 8 3 2 2 4 2 2 1 2 4 15 8 21 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 4 7 9 10 0 1 1 1 1 2 11 6 21 2 7 3 7 3 5 4 4 6 20 8 25 28 24 46 27 42 60 29 28 31 29 23 25 15 15 12 6 2 4 5 4 4 3 5 5 3 3 2 2 2 2 1 2 3 2 1 12 11 9 15 15 67 85 17 18 7 1 1 3 5 2 1 2 2 1 0 1 2 1 0 2 2 17 17 21 15 3 7 3 1 1 1 9 6 10 1 2 2 1 1 1 1 0 1 1 2 1 1 1 2 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 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 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 2 6 6 10 6 1 1 1 0 3 57 91 79 100 5 4 2 1 1 2 29 40 81 17 11 78 27 46 7 4 3 2 1 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 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; 1HNMR: 84 84 dd 1H J 22 35 | 81 80 ddd 1H J 20 38 82 | 75 74 dd 1H J 83 102 | 73 72 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc(CCNC2CC2)ccn1
ir: 1 2 4 3 1 2 4 2 2 9 4 3 12 15 13 3 1 3 4 3 3 10 18 4 2 3 4 3 2 7 8 11 18 7 18 15 25 14 25 12 14 18 18 10 11 25 8 4 8 9 4 3 3 4 2 1 3 3 2 2 4 8 12 7 5 7 3 2 6 14 27 11 30 23 47 6 9 9 3 1 4 7 8 4 4 5 5 4 6 11 6 3 3 4 5 8 8 8 17 6 5 4 1 2 4 3 1 4 14 20 14 31 8 7 11 15 16 17 16 15 10 10 7 11 17 8 2 7 7 3 2 12 8 10 5 3 3 2 1 3 3 1 1 3 4 5 5 9 12 10 4 11 4 3 2 3 3 0 4 29 19 9 4 3 2 1 2 3 2 0 2 3 1 0 2 3 1 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 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 2 3 2 1 2 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 4 3 1 3 4 3 2 6 15 6 7 8 15 26 19 16 18 12 8 5 7 4 2 4 5 2 1 6 12 3 0 12 60 100 94 37 6 8 7 1 3 5 4 1 2 3 4 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 1 2 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 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; 1HNMR: 85 85 m 2H | 71 71 dt 2H J 9 46 | 33 32 dt 1H J 31 62 | 29 29 d 4H J 15 | 26 25 dp 1H J 45 62 | 9 8 m 2H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C[C@@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)cc1C
ir: 19 10 0 7 9 4 4 7 6 6 33 9 12 19 24 8 5 4 1 1 4 11 6 6 17 7 3 2 3 7 8 8 9 35 5 5 4 3 6 19 20 9 7 15 9 5 2 2 4 2 3 8 5 27 15 13 5 5 1 1 3 2 4 2 5 4 5 9 24 11 5 7 4 5 5 2 8 50 31 6 2 19 4 11 2 6 12 22 21 34 7 6 3 10 6 18 15 13 18 24 12 6 8 6 3 3 1 2 2 2 5 4 0 16 13 10 15 19 38 28 32 16 18 8 5 9 4 17 35 17 42 29 10 12 17 55 7 17 7 6 3 3 17 30 26 3 3 8 3 11 17 98 9 8 3 2 1 1 1 0 1 8 2 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 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 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 5 3 4 2 3 3 3 3 9 5 9 9 6 30 25 27 24 100 62 36 18 4 4 5 2 3 2 1 1 1 1 2 0 1 0 0 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 5H | 71 70 dq 1H J 10 78 | 69 68 m 2H | 40 39 tdd 1H J 35 61 88 | 36 35 m 5H | 31 30 m 4H | 29 29 dd 1H J 60 108 | 29 28 ddt 1H J 8 88 126 | 23 23 d 3H J 11 | 22 22 s 3H | 15 14 s 7H
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(F)(F)F)c1
ir: 3 1 0 1 2 1 0 1 2 1 0 15 13 2 1 1 3 4 1 8 25 54 38 8 3 4 2 3 1 2 2 16 6 1 2 1 2 1 1 1 1 1 1 2 1 1 2 2 6 1 2 2 1 0 1 1 3 1 1 1 1 1 1 1 2 2 1 2 2 2 3 3 2 2 3 6 13 5 37 100 6 15 23 3 3 6 4 3 2 1 2 2 4 2 2 1 0 1 5 13 4 4 2 1 1 1 2 3 1 1 1 1 5 7 75 3 3 1 2 1 1 2 2 2 5 9 3 1 3 3 4 2 1 1 3 1 1 2 2 6 9 3 1 0 28 3 2 2 1 1 1 1 1 2 7 23 1 1 1 1 1 1 1 0 1 2 1 3 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 1 1 1 1 1 1 2 2 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 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 2 1 1 1 1 1 2 2 2 2 11 4 15 12 0 2 2 1 1 1 2 6 20 12 2 1 1 1 1 1 0 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 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; 1HNMR: 83 83 dq 1H J 11 22 | 80 80 ddd 1H J 13 23 102 | 79 78 dd 1H J 75 102 | 78 77 ddt 1H J 12 20 75 | 77 76 m 1H | 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.
CCOC(=O)CN(N)c1cccc(Cl)c1
ir: 2 4 5 4 1 3 5 4 1 3 4 3 2 3 6 2 1 4 8 13 9 6 6 3 5 6 16 3 8 13 14 6 8 6 6 7 11 17 9 13 14 19 11 9 7 8 17 6 7 8 9 9 4 5 4 1 3 5 3 0 2 5 3 4 8 11 21 10 12 4 2 2 5 4 8 9 5 4 2 1 5 4 2 1 3 4 3 5 7 4 2 3 8 14 6 3 4 6 7 4 7 10 10 2 5 2 0 2 4 3 1 3 5 5 3 5 4 4 3 6 7 10 7 4 5 2 1 4 8 3 2 4 5 3 1 4 4 2 2 7 16 14 11 25 37 28 9 6 4 2 2 5 4 3 6 11 6 1 2 4 2 1 5 5 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 4 2 0 2 3 1 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 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 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 3 2 1 2 4 4 2 2 4 3 3 5 3 2 1 2 3 3 8 8 7 10 49 54 16 5 2 3 4 2 1 3 4 2 3 7 29 23 3 3 3 2 2 3 6 68 100 8 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 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; 1HNMR: 73 72 dd 1H J 73 81 | 71 70 t 1H J 21 | 70 69 dddd 2H J 12 22 73 205 | 52 51 s 2H | 43 42 s 2H | 42 41 q 2H J 66 | 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.
CCCCC(=O)N(Cc1ccc2c(c1)OCCO2)c1cc(C#N)ccc1F
ir: 3 2 6 3 3 4 2 2 3 2 2 3 4 2 1 2 3 2 1 4 3 3 2 4 6 4 4 13 6 3 3 5 6 3 7 9 10 3 10 7 5 6 13 6 3 2 6 4 4 2 2 5 10 12 6 48 11 3 5 3 3 3 2 2 8 5 5 8 18 8 8 6 1 1 2 3 1 1 3 4 6 2 2 2 2 3 13 5 3 2 7 4 15 7 3 2 2 3 8 6 3 8 4 2 2 2 7 10 3 2 4 13 9 3 3 2 1 4 3 6 7 5 7 5 5 8 7 3 2 3 11 4 3 4 2 2 2 5 4 5 3 17 32 6 13 6 8 39 14 7 7 3 3 17 5 1 1 3 2 0 8 4 3 1 1 3 2 0 1 3 1 0 1 3 2 0 2 3 1 0 2 3 9 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 0 1 2 2 0 1 2 1 0 1 2 1 0 2 2 1 0 1 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 1 1 2 2 1 1 2 2 1 2 3 3 4 5 5 8 2 3 3 3 1 4 11 18 11 26 100 19 19 16 4 4 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 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 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; 1HNMR: 78 77 dd 1H J 22 32 | 75 75 ddd 1H J 22 36 86 | 73 72 m 1H | 70 69 ddt 1H J 9 18 92 | 69 68 dt 1H J 8 17 | 68 67 d 1H J 90 | 50 50 t 2H J 8 | 43 42 m 4H | 25 24 t 2H J 81 | 17 16 tt 2H J 69 81 | 14 13 h 2H J 73 | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(Cc2cnc(N)nc2N)cc(OS(=O)(=O)C(C)C)c1-c1ccc(C)nc1
ir: 5 9 12 15 4 6 1 9 6 7 8 7 8 9 5 6 4 3 5 5 7 4 3 3 3 7 4 4 3 2 5 5 14 8 17 13 4 9 18 17 34 24 14 13 12 6 8 6 10 6 5 3 6 11 2 7 6 4 2 3 2 3 4 5 3 3 4 13 13 6 7 5 7 4 9 4 8 1 4 4 1 1 1 3 2 2 6 39 10 4 4 2 2 5 10 5 1 3 1 1 2 2 4 6 4 3 3 9 12 9 2 2 1 1 2 2 2 2 3 3 5 3 3 3 6 2 2 2 12 6 4 2 2 3 3 7 8 4 8 2 2 6 10 9 31 20 31 23 8 15 21 68 10 4 4 4 19 80 22 3 1 2 2 0 1 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 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 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 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 2 2 4 3 2 6 7 1 7 17 13 3 2 3 2 1 1 1 1 0 1 1 2 1 2 3 6 23 42 6 3 4 1 1 1 1 2 2 3 15 100 30 2 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 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 0 0 0; 1HNMR: 85 85 d 1H J 19 | 75 75 t 1H J 9 | 75 75 dd 1H J 18 79 | 72 72 dd 1H J 8 78 | 68 68 dt 1H J 9 20 | 66 66 dt 1H J 9 20 | 59 59 s 2H | 58 58 s 2H | 42 41 q 2H J 63 | 36 36 q 2H J 9 | 35 34 dt 1H J 87 176 | 27 26 d 3H J 7 | 14 13 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)O
ir: 4 3 6 8 3 8 4 5 3 2 4 7 6 4 11 6 3 6 6 8 22 56 28 11 9 14 22 26 10 22 27 14 20 21 5 6 7 5 10 21 76 19 13 2 5 6 13 8 4 2 2 2 2 2 3 2 3 2 2 3 6 3 5 11 3 2 15 11 6 5 5 3 4 3 5 3 7 22 23 10 10 2 3 3 7 5 4 5 9 15 1 2 2 2 2 7 3 8 1 2 2 2 1 2 2 2 6 11 4 5 22 8 4 3 2 4 7 4 8 5 3 8 1 9 6 4 2 2 4 2 3 5 3 2 3 29 4 2 1 5 10 8 100 65 7 8 17 20 13 74 8 3 4 3 2 0 1 2 2 0 1 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 1 1 1 2 2 2 3 7 7 6 8 11 17 8 13 23 15 5 3 2 2 3 2 1 12 11 3 2 2 1 1 1 1 2 3 2 6 6 8 33 94 19 6 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 1 1 1 1 1 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: 79 79 d 1H J 97 | 74 73 d 4H J 41 | 73 73 m 1H | 63 62 d 1H J 80 | 51 51 s 2H | 44 43 dddt 1H J 15 29 68 82 | 43 42 dq 1H J 57 81 | 21 19 m 1H J 65 | 13 13 d 3H J 57 | 10 9 ddd 6H J 15 65 94
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC2(CCN1S(=O)(=O)c1ccc(Br)cc1)CN(C1CC1)C(=O)CO2
ir: 9 6 2 3 7 8 8 6 5 20 18 9 36 17 46 7 28 79 22 5 7 11 9 5 4 12 3 5 1 3 10 16 19 7 4 3 9 5 4 4 9 7 8 7 3 4 5 9 4 3 2 3 6 33 28 9 5 4 3 2 3 7 4 21 11 15 6 6 11 6 3 11 15 19 31 10 10 46 5 27 76 8 13 27 12 13 5 27 11 5 100 4 24 16 6 7 9 33 8 32 11 4 1 2 3 2 2 2 5 6 7 4 3 2 2 3 4 4 4 4 13 12 10 15 4 5 11 20 16 7 16 18 8 7 3 10 13 5 3 4 3 2 2 6 9 16 12 7 16 79 7 6 9 3 2 1 2 1 2 4 2 4 1 1 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 1 0 1 1 1 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 2 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 2 17 3 8 3 4 5 13 13 12 11 14 20 30 16 22 10 4 5 5 2 1 1 2 1 0 2 2 1 1 2 2 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 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 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; 1HNMR: 78 77 m 4H | 43 42 d 1H J 139 | 41 41 d 1H J 139 | 39 38 p 1H J 56 | 37 36 m 2H | 35 35 ddd 1H J 47 73 130 | 35 33 m 2H | 24 23 dd 1H J 73 121 | 22 21 m 2H | 20 19 ddd 1H J 48 73 122 | 12 12 m 5H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(OS(=O)(=O)C(F)(F)F)c2ccn(Cc3ccccc3)c2c(=O)n1C
ir: 5 3 2 2 3 4 3 7 6 2 3 7 9 3 1 1 1 2 1 1 1 1 1 1 2 1 3 1 1 2 3 4 2 3 5 3 9 3 1 2 2 4 1 1 2 2 1 5 6 3 3 1 1 4 4 2 1 2 2 1 1 1 1 0 1 3 1 2 3 2 1 18 2 1 1 1 1 2 1 0 1 1 0 3 3 100 3 2 4 2 2 1 0 0 2 1 2 10 7 2 1 2 3 1 1 1 1 1 0 1 1 1 1 4 4 2 1 1 1 4 9 2 2 1 0 1 2 3 1 1 1 1 1 1 2 3 1 1 1 1 1 1 15 10 3 1 3 4 3 2 1 2 1 2 3 1 1 1 0 7 1 4 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 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 3 4 11 3 18 9 5 5 2 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 74 dt 1H J 9 59 | 73 72 m 3H | 72 71 m 3H | 55 55 q 2H J 9 | 38 38 s 2H | 36 36 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2OC[C@H](O)[C@H]21
ir: 2 6 4 2 2 3 4 5 1 6 3 1 2 1 1 5 1 5 5 8 7 6 7 3 4 7 2 6 9 20 34 13 14 6 5 5 3 3 6 2 2 1 1 2 1 1 1 1 1 1 1 0 2 1 2 2 1 1 1 1 2 1 2 2 2 1 3 4 2 1 1 0 1 4 2 1 2 3 4 4 1 1 1 1 1 1 1 1 2 3 3 4 4 10 26 13 6 2 1 4 2 2 7 3 5 4 1 2 2 2 1 2 4 4 2 2 3 1 2 5 7 6 2 1 8 4 2 6 3 2 3 5 9 2 3 2 1 1 0 2 2 0 0 25 46 9 8 12 4 25 4 0 1 1 1 0 1 1 1 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 0 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 1 0 1 1 0 0 0 0 0 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 1 1 1 2 1 1 1 3 2 1 1 1 1 2 4 0 20 2 1 2 1 1 3 6 25 100 17 7 2 2 2 1 0 1 0 1 0 0 1 1 3 1 2 8 22 9 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 53 53 d 1H J 75 | 45 44 dt 1H J 64 73 | 44 43 m 2H | 41 40 m 1H | 39 38 m 2H | 37 35 m 4H | 22 21 m 1H | 20 19 dddd 1H J 26 57 75 130 | 18 17 dd 1H J 64 136 | 15 14 dd 1H J 64 137 | 14 14 s 8H | 9 9 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c2c(c1)NC(=O)C(c1ccccc1)O2
ir: 3 1 0 1 2 2 2 2 7 2 3 3 3 4 9 7 3 3 0 4 5 32 12 19 80 36 28 24 19 64 36 84 68 45 54 10 20 16 18 17 17 18 9 4 4 2 3 7 2 1 1 1 1 1 1 3 3 3 1 1 4 6 9 2 3 10 8 28 7 15 8 11 8 14 8 14 5 3 3 6 2 2 2 2 1 3 3 24 13 5 3 12 10 5 3 2 2 3 3 29 7 3 8 2 2 3 13 6 31 9 2 1 1 5 3 2 2 2 3 4 2 2 3 5 4 7 6 8 7 4 14 28 6 4 8 18 5 2 3 11 4 2 8 13 5 6 4 4 2 10 6 4 39 8 6 1 2 24 2 3 1 5 63 10 3 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 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 3 3 1 1 1 2 2 2 2 3 7 5 5 10 13 18 47 70 32 9 5 4 4 7 2 4 4 2 1 1 2 1 2 2 4 5 2 1 2 6 10 19 100 12 5 13 2 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 1 1 1 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: 89 89 s 1H | 75 75 m 2H | 74 73 m 5H | 70 70 d 1H J 21 | 60 59 d 1H J 7 | 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.
NNc1ccc(Br)cc1F
ir: 1 1 2 1 5 1 1 2 1 1 0 1 1 3 1 20 2 11 9 20 6 11 4 2 1 2 1 2 2 1 3 10 4 3 1 1 2 2 8 2 2 2 2 2 2 1 1 3 7 11 12 41 68 15 27 1 3 6 9 10 9 3 4 3 5 7 5 5 3 2 1 1 1 1 1 2 2 2 14 5 1 1 1 1 2 1 3 7 3 12 2 1 2 1 0 1 1 1 1 2 20 3 1 1 0 0 1 1 0 0 1 1 2 32 3 1 0 1 1 5 11 12 2 1 1 2 2 2 1 1 2 2 3 3 6 17 15 46 74 38 3 12 17 7 7 7 8 10 3 5 4 35 18 2 3 10 4 1 1 2 1 1 4 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 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 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 4 3 2 22 20 23 14 3 2 1 2 2 2 3 2 3 10 8 33 7 26 1 1 2 5 9 8 45 100 97 77 36 1 3 2 1 1 2 1 4 4 4 2 3 1 1 1 1 1 1 1 0 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; 1HNMR: 74 73 dd 1H J 22 121 | 73 72 dd 1H J 21 81 | 71 71 dd 1H J 47 81 | 65 64 q 1H J 37 | 61 60 d 2H J 37
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccn2nc(-c3ccccc3)c(C(=O)O)c2c1
ir: 1 1 1 1 1 1 1 1 3 4 2 6 4 8 6 5 7 6 2 4 4 4 12 26 55 25 11 16 15 4 3 2 3 2 8 16 12 11 3 1 1 3 10 5 5 1 1 1 1 1 1 2 11 20 14 2 1 1 2 3 1 1 2 3 2 1 2 3 6 5 4 9 14 8 2 2 36 62 25 3 3 2 1 7 6 1 1 1 1 2 3 1 2 3 3 2 1 1 1 1 1 0 0 1 1 1 0 2 5 7 3 1 0 1 3 2 0 1 2 3 3 1 1 1 1 1 4 3 2 3 4 3 9 8 5 6 4 4 2 1 1 1 5 6 9 13 8 12 3 1 1 4 5 1 3 24 32 5 1 0 2 3 2 1 9 5 1 1 1 1 1 0 1 1 1 0 2 2 1 1 1 1 1 0 1 1 0 0 1 1 0 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 1 0 0 1 1 0 1 2 2 1 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 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 4 4 15 10 10 11 19 11 5 4 4 3 14 100 93 8 2 2 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 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; 1HNMR: 86 86 d 1H J 69 | 77 77 m 2H | 75 75 m 2H | 74 74 m 2H | 68 68 dd 1H J 13 69 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCCc1nc(-c2cnccc2Cl)c[nH]1
ir: 0 1 2 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 2 0 0 1 1 1 2 6 0 0 0 0 0 1 0 1 2 1 1 4 5 5 8 2 4 1 1 2 1 4 5 4 2 1 1 2 2 4 1 1 5 1 1 2 3 2 3 3 9 46 14 4 4 7 6 5 3 12 5 2 9 4 5 4 7 4 7 18 12 14 7 3 2 1 0 3 8 12 4 1 2 2 10 17 13 46 40 19 15 9 10 10 3 3 2 3 5 5 7 9 14 8 7 3 4 8 20 4 8 10 7 3 2 4 7 2 0 1 2 2 0 1 1 1 2 4 6 3 0 1 0 0 0 0 4 8 1 1 0 0 0 0 0 0 0 1 0 0 2 0 2 6 0 1 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 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 1 0 0 1 1 1 1 3 2 2 1 2 3 5 19 5 2 2 3 4 3 2 10 36 35 0 18 100 85 18 6 2 1 1 1 3 1 3 74 12 3 8 4 1 2 2 0 1 7 25 11 4 1 1 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 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: 94 93 d 1H J 55 | 89 88 d 1H J 13 | 86 85 dd 1H J 14 34 | 77 76 d 1H J 55 | 74 74 d 1H J 34 | 28 27 tt 2H J 50 65 | 26 26 t 2H J 81 | 19 18 m 2H | 18 17 ttd 2H J 11 50 79 | 14 14 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N(CCc1ccc(Sc2ccc(C=O)cc2)cc1)C[C@H](O)c1cccc(Cl)c1
ir: 15 9 6 5 7 9 4 14 9 5 8 31 22 15 39 19 16 12 7 7 10 13 12 16 7 9 13 15 10 5 9 8 14 4 14 11 3 1 3 7 3 0 2 5 4 2 13 23 8 5 9 5 15 40 12 8 22 3 2 3 2 1 2 2 2 4 3 11 6 18 2 2 2 1 1 3 2 5 3 4 3 2 3 4 2 4 22 42 8 6 5 23 61 76 100 57 11 6 7 9 6 3 4 5 5 3 3 2 3 3 3 7 3 2 4 2 2 4 6 8 10 14 13 16 54 11 22 8 22 6 10 20 6 10 6 6 2 1 2 9 16 3 7 17 6 13 5 17 16 6 8 58 3 4 4 2 2 3 1 0 2 2 6 1 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 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 1 1 1 1 1 1 1 1 2 2 2 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 3 2 2 2 2 2 3 2 3 4 7 6 1 18 12 57 73 42 12 21 47 37 12 10 14 7 1 2 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 0 1 1 0 0 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 99 99 s 1H | 79 78 m 2H | 75 74 m 2H | 74 72 m 7H | 72 71 dt 2H J 9 77 | 51 50 dt 1H J 51 59 | 42 41 d 1H J 57 | 39 38 dd 1H J 51 126 | 36 36 dd 1H J 51 126 | 35 34 m 2H | 29 28 tt 2H J 10 63 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(N)cccc1Br
ir: 12 33 17 24 20 9 28 5 7 6 2 7 9 8 15 10 12 6 8 2 10 7 4 5 6 3 9 3 6 9 5 6 4 5 8 3 4 4 4 2 2 2 3 8 15 52 49 15 42 39 21 9 4 0 3 3 2 0 3 2 3 3 2 3 2 2 3 2 4 3 4 3 3 2 3 2 2 7 8 11 11 19 21 5 3 2 2 2 3 5 3 3 4 10 14 3 1 2 2 3 8 9 6 7 5 2 2 2 2 4 5 6 2 2 3 3 1 2 3 2 3 3 2 4 2 2 3 2 2 2 2 2 2 2 2 3 5 5 8 8 4 2 3 2 2 8 7 5 8 5 3 12 57 60 59 39 20 33 42 91 100 85 5 8 4 1 2 2 2 1 3 2 2 2 2 2 2 2 1 2 2 2 2 2 1 2 2 2 1 1 1 2 2 2 2 1 2 1 2 2 2 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 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 2 2 3 3 3 3 2 3 4 4 3 3 4 4 2 7 8 7 4 27 40 37 45 7 1 4 5 4 3 3 2 2 1 3 3 2 2 21 26 82 42 10 4 3 2 2 3 4 4 75 67 85 73 68 5 2 1 2 1 1 1 2 1 1 2 3 2 1 2 2 1 1 1 2 1 1 2 3 1 2 3 2 2 2 2 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; 1HNMR: 72 71 dd 1H J 13 84 | 70 70 t 1H J 81 | 66 65 dd 1H J 12 78 | 41 41 s 2H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cc(Cl)c(C(=O)OC)cc1OC
ir: 20 16 7 7 6 5 2 36 4 6 3 6 7 3 0 2 3 1 1 3 2 7 11 4 2 2 2 2 6 3 1 3 2 1 1 2 2 2 1 2 2 0 3 2 5 3 1 2 1 0 1 2 1 0 1 2 1 1 4 3 2 11 3 2 1 1 3 19 29 8 10 14 19 8 3 3 3 2 2 1 1 1 2 6 3 2 5 3 3 2 2 3 2 3 5 2 1 2 2 2 1 7 7 2 2 3 9 14 4 5 3 2 1 1 2 1 1 2 8 4 3 3 3 3 3 3 45 7 33 5 3 1 1 3 4 15 17 29 4 3 2 2 2 2 2 4 4 2 2 2 17 53 12 5 28 2 2 3 2 2 5 4 2 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 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 2 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 2 1 0 2 2 1 0 1 2 1 0 1 4 12 3 5 9 7 3 15 100 26 6 7 6 9 4 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 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 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; 1HNMR: 75 75 s 1H | 74 74 s 1H | 70 70 dd 1H J 110 163 | 57 56 dd 1H J 24 165 | 55 54 dd 1H J 24 110 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)C#Cc1ccc(N)c(S(N)(=O)=O)c1
ir: 3 5 4 2 1 3 3 2 3 3 5 8 16 13 15 7 5 6 4 8 3 2 4 2 1 2 1 1 1 1 1 1 1 2 3 1 5 2 1 0 1 2 3 3 2 3 2 1 1 1 1 3 2 2 2 5 7 3 3 3 2 2 2 2 8 7 4 1 5 6 3 2 4 6 3 12 8 18 14 13 6 3 5 4 16 34 17 29 23 9 8 3 6 5 4 6 5 4 3 6 10 16 9 3 2 2 2 2 1 1 1 2 1 2 2 3 13 22 27 43 21 3 2 2 3 2 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 2 2 2 2 1 1 1 2 12 6 2 1 1 1 2 2 3 26 3 1 3 20 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 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 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 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 2 2 4 8 3 3 3 1 1 1 1 1 4 9 2 2 1 0 1 1 1 0 9 31 61 37 9 1 14 52 21 5 1 0 100 35 5 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 80 d 1H J 22 | 75 74 dd 1H J 21 80 | 73 73 s 2H | 72 71 d 1H J 79 | 65 65 s 2H | 27 26 s 1H | 16 16 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(C)c(CNc2ccc(C(C)C)cc2)c1C
ir: 8 13 3 4 4 4 4 21 27 20 14 6 2 3 3 1 2 3 3 9 5 3 4 1 1 1 2 3 1 1 1 3 1 1 4 1 1 1 10 1 0 1 1 0 1 2 2 1 4 4 2 2 2 11 29 6 20 3 1 3 12 4 4 1 1 1 2 1 4 10 15 2 2 1 0 1 2 3 2 1 1 1 0 0 1 1 0 1 1 1 8 2 1 1 2 1 6 9 1 1 1 1 2 6 10 13 5 2 2 2 1 3 1 3 14 7 9 11 5 3 8 6 5 5 8 2 3 3 2 3 9 2 1 1 1 19 23 6 2 14 9 4 2 2 1 5 14 2 2 30 24 95 7 28 9 2 1 0 1 1 1 0 1 60 1 0 0 1 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 0 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 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 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 3 4 1 1 1 1 1 1 2 2 3 2 3 5 6 19 4 14 35 15 14 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 3 1 1 8 13 100 30 9 3 6 2 1 0 2 3 1 1 2 1 1 1 0 1 1 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 0 1 0 0 0 1 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 0 0 0 0 1 0 0 0 1; 1HNMR: 71 71 m 2H | 67 66 m 2H | 51 50 t 1H J 59 | 47 46 d 2H J 58 | 39 38 q 2H J 49 | 29 28 m 1H | 22 22 s 2H | 22 22 s 2H | 15 14 t 3H J 49 | 13 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1ncc(N)cc1Cl
ir: 2 5 3 7 3 5 2 15 14 15 25 4 5 3 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 6 3 1 1 2 7 1 2 17 5 1 2 2 1 1 1 2 1 0 1 2 1 0 1 1 2 0 1 2 1 0 1 2 1 1 15 13 1 1 2 2 1 0 1 3 2 1 1 2 3 13 18 4 2 2 6 9 6 1 4 7 4 2 2 1 0 1 1 2 0 1 1 1 0 1 1 2 2 3 3 1 0 2 1 3 1 1 2 1 0 1 1 1 1 1 2 6 0 2 1 1 3 4 2 1 1 1 1 1 0 1 1 1 1 6 1 1 1 2 2 2 3 33 19 85 4 2 1 0 1 4 42 9 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 1 1 1 1 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 0 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 1 1 2 2 2 2 2 2 1 2 9 2 2 2 2 1 2 13 100 2 2 1 1 1 1 1 1 1 30 15 4 2 1 1 1 1 1 1 1 3 67 62 3 1 1 1 1 1 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 1 0 1 1 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 d 1H J 18 | 72 72 d 1H J 16 | 54 53 qd 1H J 52 66 | 40 39 s 2H | 37 37 d 1H J 53 | 16 16 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1cnc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1
ir: 24 12 26 19 8 17 54 34 6 12 13 9 10 13 31 11 10 11 28 10 10 8 9 6 9 4 11 8 15 11 4 6 8 4 1 3 2 2 11 65 54 16 9 4 8 9 6 5 6 4 4 8 8 4 3 4 4 3 2 2 3 12 9 7 6 25 10 9 10 32 16 23 49 41 7 3 12 23 8 3 4 4 4 4 10 24 21 3 9 20 8 5 3 9 8 19 12 42 10 8 3 3 5 3 5 8 18 8 44 24 3 8 10 5 2 6 4 5 3 3 19 22 41 15 27 55 13 10 5 3 4 4 7 7 16 32 20 12 9 14 15 29 51 20 18 23 25 2 2 2 3 3 5 3 1 1 1 2 2 3 2 2 2 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 2 1 3 3 1 10 5 8 10 9 19 19 27 20 29 20 48 50 47 100 18 37 20 12 11 13 19 25 6 2 2 3 2 1 0 1 2 1 1 2 3 19 52 46 12 4 3 1 1 0 1 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 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 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: 97 96 s 1H | 76 75 dt 1H J 9 17 | 74 73 m 5H | 70 69 d 1H J 95 | 68 68 dp 1H J 9 16 | 60 58 ddt 1H J 61 108 161 | 53 52 dq 1H J 13 163 | 51 50 m 1H | 51 51 s 2H | 46 45 m 3H | 31 31 ddd 1H J 9 60 145 | 30 29 ddd 1H J 9 60 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(Nc1cccc(C#N)c1)c1ccccc1
ir: 18 18 3 3 7 10 9 40 29 4 4 6 8 11 32 13 4 5 5 9 9 6 5 3 3 7 7 4 6 15 6 9 20 15 20 50 7 2 3 5 7 23 4 5 4 2 3 21 18 2 2 3 2 2 2 2 2 0 2 3 3 3 8 10 7 7 3 7 13 3 3 4 3 3 4 4 3 2 4 5 8 7 3 2 1 1 2 2 5 3 7 4 1 2 3 4 2 3 7 4 3 3 3 2 2 9 27 16 0 3 2 2 2 4 6 11 18 14 13 16 10 12 10 10 3 3 4 5 2 2 3 2 1 4 5 23 9 3 10 4 5 4 11 62 84 31 6 2 4 2 2 5 10 4 9 33 3 3 2 2 4 18 4 2 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 4 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 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 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 2 2 1 2 2 2 1 2 3 5 3 4 4 10 9 31 59 62 21 8 6 3 1 3 5 2 1 2 3 1 1 2 2 3 3 3 4 4 6 9 35 100 23 5 4 3 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 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 0; 1HNMR: 75 74 m 3H | 74 73 m 4H | 73 72 t 1H J 21 | 69 68 ddd 1H J 13 22 71 | 54 53 m 1H | 49 48 d 1H J 84 | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(-c3ccoc3)cc12)C(C)C
ir: 16 16 7 16 34 8 16 20 18 13 18 17 32 19 4 4 3 2 2 15 6 9 27 5 2 17 30 7 15 4 5 5 13 3 2 1 5 9 14 33 15 13 11 5 1 10 6 3 6 43 16 10 11 9 27 52 15 22 100 35 5 4 4 3 3 4 47 26 63 20 9 7 11 5 2 7 19 7 4 4 6 13 5 4 10 86 12 55 53 43 65 27 7 4 6 8 2 1 8 5 36 7 4 9 15 32 18 17 8 31 17 6 6 6 5 7 2 5 7 16 13 12 12 8 18 18 7 7 6 3 6 6 3 5 11 2 1 2 2 3 1 7 12 4 1 3 1 0 3 5 4 11 1 3 2 1 1 1 1 0 1 2 1 0 3 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 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 9 3 1 1 1 2 2 2 3 8 7 6 6 38 37 10 37 44 28 23 5 4 2 2 3 10 3 1 1 1 1 0 1 1 1 1 6 28 24 3 2 2 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 0 1 1 0; 1HNMR: 81 81 t 1H J 15 | 80 80 m 1H | 79 78 m 2H | 78 77 dd 1H J 9 16 | 75 75 t 1H J 16 | 75 75 d 2H J 14 | 72 71 d 1H J 110 | 67 67 t 1H J 12 | 38 37 dddt 1H J 16 31 77 106 | 37 37 s 2H | 20 20 dp 1H J 64 75 | 10 9 dd 3H J 15 64 | 9 9 dd 3H J 14 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)COc1cccc2c(CC(C)(C)NC(=O)OC(C)(C)C)c[nH]c12
ir: 16 4 1 4 3 2 1 3 2 2 2 3 2 2 0 3 3 2 4 4 2 2 2 4 5 10 12 11 6 100 33 20 6 13 12 10 12 22 10 3 2 3 2 1 2 6 3 21 12 4 1 1 1 1 4 1 2 1 1 1 4 4 2 1 1 6 5 2 3 3 2 1 1 1 1 2 4 1 1 1 2 5 1 0 1 1 1 1 1 1 2 1 1 1 1 1 3 4 3 3 8 1 1 2 1 2 8 6 3 2 4 6 2 1 1 1 2 1 3 4 5 6 7 15 21 4 2 2 4 10 12 10 8 4 2 5 2 0 0 3 8 19 27 91 70 17 30 8 7 41 15 7 5 9 2 1 1 4 2 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 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 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 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 3 1 1 2 2 1 2 1 2 1 3 3 13 26 12 6 7 27 5 4 10 4 2 1 2 1 1 1 2 1 0 1 2 2 4 4 3 8 7 15 37 15 46 17 15 9 3 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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; 1HNMR: 97 96 d 1H J 66 | 75 75 m 1H | 72 72 t 1H J 77 | 70 69 m 2H | 65 65 q 1H J 49 | 56 56 s 1H | 47 46 s 2H | 29 29 d 2H J 9 | 29 28 d 4H J 49 | 15 14 s 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1ccc2ncnc(Cl)c2c1
ir: 7 3 1 4 8 3 3 4 5 3 1 4 7 8 3 12 9 4 5 11 9 10 6 7 7 4 5 17 42 4 3 6 5 2 2 11 7 12 2 5 5 4 3 5 4 1 4 9 33 16 55 12 6 5 6 14 100 30 15 10 6 9 5 8 6 15 41 28 11 9 9 7 5 4 5 7 4 2 13 7 5 19 5 5 2 1 5 4 1 2 5 5 1 2 7 10 34 11 4 3 3 3 5 11 6 6 5 4 1 6 11 6 4 4 6 19 8 5 5 3 2 5 22 10 3 6 7 3 2 4 5 3 3 4 4 3 3 5 40 5 2 4 4 2 2 5 5 7 27 89 45 4 5 5 8 72 18 36 3 1 2 5 3 1 2 14 10 0 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 1 2 4 3 2 2 4 4 1 3 5 4 2 4 5 4 1 3 5 3 1 5 6 7 4 8 31 40 8 6 5 3 2 3 4 3 2 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 84 83 s 1H | 80 79 d 1H J 83 | 74 74 d 1H J 27 | 71 71 dd 1H J 27 84 | 42 41 t 2H J 49 | 37 36 t 2H J 50 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1CC(C#N)(c2ncccc2F)C1
ir: 3 2 1 2 3 2 4 9 17 12 4 4 8 4 3 5 3 5 14 8 7 3 2 4 5 2 2 3 3 3 2 5 2 2 2 4 17 5 7 71 3 7 3 4 8 2 3 4 2 2 4 3 2 1 2 4 2 1 3 6 7 36 41 34 11 4 3 2 3 3 4 5 4 2 4 4 10 16 5 4 4 16 11 8 5 7 5 8 9 4 4 3 2 3 7 5 3 2 2 3 2 2 13 3 2 4 3 3 3 5 12 4 2 2 3 2 2 2 2 2 2 2 3 3 3 3 3 3 11 23 1 32 0 6 5 4 6 16 31 5 7 3 3 2 3 100 6 2 2 3 3 3 3 5 35 13 10 7 5 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 3 3 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 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 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 2 5 4 15 4 3 5 3 11 19 85 35 21 6 9 8 7 8 4 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 3 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 3 2 1 2 3 2 1 2 3 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 84 84 dd 1H J 22 32 | 74 73 m 2H | 49 49 p 2H J 11 | 34 33 dt 2H J 10 148 | 31 30 dt 2H J 11 150
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ncc(C=O)c(C)c1OCc1ccccc1
ir: 5 6 14 6 6 10 8 34 22 9 6 2 1 5 4 3 3 8 13 8 8 9 9 1 1 5 5 5 3 6 8 7 5 7 5 4 4 10 24 84 100 14 13 6 2 3 5 3 2 3 3 4 4 5 1 2 2 1 2 2 12 15 6 7 3 12 15 16 11 6 3 1 4 2 2 1 4 2 6 3 2 2 2 2 2 2 1 2 4 21 4 1 4 6 15 44 30 18 12 10 21 15 3 1 2 4 9 6 3 20 28 5 2 1 1 2 4 2 2 8 8 4 8 5 6 2 3 6 17 22 7 4 2 6 12 23 13 1 1 3 5 14 14 9 17 23 9 4 6 6 4 10 9 2 1 1 1 1 1 2 4 18 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 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 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 1 1 2 13 4 1 1 1 1 1 1 2 1 1 1 4 11 14 11 14 33 25 12 4 1 1 2 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 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 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 1 0 0 0 1; 1HNMR: 100 100 s 1H | 90 89 s 1H | 74 74 dq 2H J 10 74 | 74 73 m 2H | 73 73 m 1H | 51 51 d 2H J 9 | 39 39 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1CC(=O)N(Cn2c(Cl)nc3ccc(O)cc32)C1
ir: 1 1 2 2 3 3 1 1 1 2 2 5 2 2 2 4 4 2 6 3 2 3 2 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 2 1 3 2 1 1 1 2 2 2 1 1 1 1 1 2 2 18 6 4 2 2 2 1 2 2 4 3 3 5 6 4 1 3 2 2 3 4 3 2 2 3 14 3 8 15 4 2 2 2 2 3 1 1 2 1 1 2 2 1 1 2 2 2 1 1 2 3 3 2 2 7 3 3 2 2 2 1 2 4 4 3 3 3 3 2 3 6 3 1 1 1 2 3 2 5 2 2 2 14 2 1 1 1 1 1 1 2 3 4 2 10 3 19 2 2 1 2 1 1 1 1 1 1 1 4 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 1 2 1 1 2 2 1 2 2 1 1 2 3 4 2 2 1 1 2 2 3 3 5 5 6 15 14 1 2 2 1 0 25 100 21 3 2 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 s 1H | 76 75 d 1H J 83 | 70 69 d 1H J 22 | 69 68 dd 1H J 22 82 | 56 54 m 2H | 39 38 dd 1H J 29 106 | 36 35 dd 1H J 29 106 | 25 24 dd 1H J 53 148 | 22 22 dd 1H J 53 148 | 21 20 m 1H | 16 15 dq 1H J 65 129 | 15 12 m 3H | 9 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cc2n[nH]c(=S)[nH]2)c(OC)c1
ir: 21 5 1 2 8 9 3 3 4 2 2 2 3 2 1 3 5 3 1 2 3 2 5 2 3 2 2 3 5 3 3 4 2 2 2 7 2 6 11 24 17 35 22 32 18 36 11 7 31 8 7 5 4 2 6 9 10 2 3 2 2 2 2 2 2 1 5 19 8 2 3 4 3 2 2 3 1 0 2 1 1 0 1 1 0 1 3 4 4 3 3 7 17 9 10 22 9 6 12 39 13 3 4 3 3 9 6 37 38 19 17 2 1 1 2 2 6 4 7 8 4 3 5 11 16 11 8 5 3 3 3 5 10 4 5 2 14 4 6 2 1 1 2 8 2 2 2 0 3 19 16 2 2 11 8 2 2 1 1 0 1 2 4 1 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 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 1 1 1 0 0 1 1 1 1 2 1 0 1 3 2 1 1 2 1 0 3 4 7 6 7 28 16 4 3 1 1 1 1 1 1 1 1 2 3 1 3 6 11 100 11 3 2 2 5 10 26 22 11 2 2 1 1 2 1 1 1 1 0 1 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 0 1 1 0 0 1 0 0; 1HNMR: 99 99 s 1H | 72 71 dt 1H J 8 84 | 66 66 dd 1H J 24 84 | 65 64 d 1H J 24 | 38 38 d 7H J 31 | 37 37 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc2c(nc1CC1CCNCC1)NCCC2
ir: 12 6 4 7 7 5 3 14 10 21 16 14 6 5 3 3 5 4 3 4 4 6 6 4 9 3 9 6 5 4 8 5 3 7 12 12 28 46 43 21 14 8 5 5 4 8 5 1 10 12 17 18 19 17 19 34 21 2 12 4 5 2 3 4 4 6 8 6 4 3 8 2 2 2 2 2 3 3 4 3 1 1 2 2 1 2 2 2 3 7 10 5 6 6 4 5 3 3 4 3 5 5 15 5 7 7 7 9 9 11 20 21 14 12 11 21 7 22 21 11 9 9 4 6 3 8 5 7 17 17 11 2 2 3 5 4 4 4 6 7 91 100 36 11 7 4 5 5 64 52 9 84 71 16 11 5 2 5 34 10 3 3 2 0 1 3 2 0 2 3 1 0 1 2 1 0 1 2 1 0 1 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 1 2 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 3 3 3 4 5 5 2 5 2 2 5 6 14 10 7 9 14 8 3 4 3 1 3 3 2 1 4 4 2 2 5 8 13 6 36 26 17 12 27 38 50 61 36 8 6 4 4 3 2 2 3 2 2 2 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 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: 71 70 dt 1H J 9 81 | 66 66 dt 1H J 9 82 | 52 52 p 1H J 39 | 46 46 t 1H J 38 | 34 34 m 2H | 29 29 dd 2H J 9 65 | 28 27 dddd 2H J 24 38 51 134 | 27 27 td 2H J 8 75 | 27 26 dddd 2H J 25 39 51 135 | 21 20 hept 1H J 66 | 20 19 m 2H | 18 17 dddd 2H J 24 50 66 134 | 15 14 dddd 2H J 24 51 68 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)cc(C(=O)O)c1C1=C(O)C(=O)c2c(O)cccc2C1=O
ir: 3 3 4 2 3 4 2 6 14 19 6 13 23 10 9 57 32 39 11 32 6 33 44 15 6 3 3 2 2 2 1 1 2 1 1 5 4 1 1 5 5 5 27 6 1 2 11 3 1 3 1 1 4 3 1 1 1 2 2 0 3 4 2 1 1 2 2 2 7 2 2 1 2 2 2 6 2 7 18 3 3 5 10 2 10 23 3 5 3 1 2 31 14 4 2 6 5 9 14 16 17 5 3 1 2 1 0 1 2 8 8 1 2 1 1 1 2 1 1 2 3 5 3 2 3 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 2 3 45 6 27 6 10 2 1 1 1 1 10 1 1 4 4 1 0 0 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 0 0 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 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 3 0 15 25 16 4 3 5 11 37 22 100 20 73 7 1 1 1 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 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 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; 1HNMR: 79 79 d 1H J 21 | 78 78 dd 1H J 11 77 | 77 76 dd 1H J 76 83 | 73 73 dd 1H J 11 82 | 69 69 d 1H J 24 | 39 39 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)NC(=O)C2CN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN21
ir: 1 4 3 6 3 5 18 6 6 4 5 9 0 20 65 16 11 9 3 12 4 4 14 2 3 8 46 36 49 6 6 2 4 3 2 2 4 3 2 1 9 2 4 5 2 2 4 3 4 4 3 5 9 26 34 61 53 19 14 10 5 4 6 9 9 2 3 3 5 19 4 5 3 5 4 11 5 3 1 2 11 90 9 5 1 5 11 18 8 6 3 2 2 3 4 16 4 10 4 3 7 13 5 5 6 2 23 21 6 4 4 2 3 13 7 4 4 3 2 3 7 3 3 6 6 9 7 17 11 16 9 10 17 19 4 3 3 3 3 1 2 2 2 2 2 5 7 40 34 9 5 10 29 43 50 30 2 4 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 1 1 1 1 1 1 1 1 1 1 2 2 2 2 5 4 2 2 3 1 4 4 4 8 14 11 28 100 13 8 8 6 7 2 4 2 1 1 2 3 1 2 2 1 2 2 2 3 4 10 28 22 28 13 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; 1HNMR: 73 72 m 4H | 71 71 m 4H | 61 60 s 1H | 39 38 m 2H | 32 31 m 2H | 31 30 ddd 1H J 30 53 123 | 29 27 m 4H | 27 26 m 2H | 19 18 m 2H | 16 15 m 2H | 14 14 s 2H | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC(=O)c1cccc(-n2ccnc2)c1
ir: 14 11 8 5 1 3 2 2 3 3 2 3 1 3 5 1 2 3 2 1 1 2 1 1 1 2 2 2 2 2 3 3 4 6 9 7 13 13 7 3 1 2 2 2 1 8 12 27 15 8 4 3 2 2 2 1 1 1 1 0 1 2 3 2 2 7 7 3 10 7 3 0 1 2 1 1 1 1 1 0 2 3 3 8 7 24 5 4 3 2 2 2 3 2 5 10 9 3 1 1 5 20 3 3 3 1 0 1 1 1 1 1 1 1 1 5 3 2 1 2 3 8 6 5 4 3 3 2 2 3 3 11 19 8 3 4 2 1 1 2 2 6 5 7 8 7 13 20 4 1 1 2 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 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 0 1 1 2 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 6 2 2 1 2 2 6 3 13 6 5 42 30 22 22 6 6 4 16 100 86 8 1 0 1 2 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 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 t 1H J 17 | 81 80 t 1H J 21 | 80 80 dd 1H J 16 38 | 79 78 ddd 1H J 11 21 73 | 78 77 dd 1H J 17 38 | 76 75 dd 1H J 65 74 | 75 74 ddd 1H J 12 22 66 | 41 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1nc(-c2ccccc2)cc(CN(C)C)c1=O
ir: 9 7 2 4 9 5 4 5 7 6 10 12 4 3 2 2 2 2 4 5 19 45 64 18 10 39 25 6 17 6 7 70 4 10 3 5 3 2 3 2 6 37 38 8 18 1 12 9 4 0 15 12 5 4 8 5 9 2 4 10 11 1 6 17 10 11 5 19 23 22 4 3 3 7 32 18 18 21 26 11 5 1 4 6 3 3 23 30 5 6 7 13 28 30 6 6 10 8 9 6 3 3 4 2 3 6 8 6 6 9 14 11 16 10 20 7 4 9 14 8 5 16 11 7 2 6 6 9 1 6 16 3 2 16 31 26 6 12 15 16 27 43 5 6 3 6 6 2 2 3 10 52 17 10 7 1 2 3 5 7 1 3 2 1 2 3 2 0 2 3 1 0 1 3 1 0 2 3 1 0 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 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 5 3 2 2 5 6 4 1 2 6 5 1 4 16 43 10 37 100 36 80 13 5 3 5 3 2 2 2 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 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; 1HNMR: 77 76 m 2H | 75 74 m 3H | 73 73 t 1H J 14 | 39 39 d 2H J 13 | 39 38 d 2H J 57 | 26 25 s 5H | 21 20 dddd 1H J 57 66 123 134 | 10 10 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc(O)c(O)c1)c1ccc(O)c2[nH]c(-c3cccs3)nc12
ir: 8 7 10 12 18 34 47 47 68 71 0 19 17 23 23 10 12 6 20 11 20 10 16 22 39 53 24 7 7 6 7 7 8 13 7 15 10 50 35 10 18 8 11 31 12 28 42 15 14 9 8 15 11 20 40 20 20 4 9 13 7 7 8 7 6 5 12 12 9 7 8 15 10 24 15 10 7 11 33 17 41 21 20 48 12 16 17 19 13 54 17 28 50 10 14 7 9 13 7 6 3 7 12 11 16 14 20 11 3 5 9 5 4 6 8 5 6 11 14 9 6 6 8 7 4 9 11 8 3 6 13 15 11 8 79 15 6 9 11 4 4 10 20 42 8 19 14 30 10 51 20 7 6 53 14 4 7 7 9 5 4 8 7 4 4 6 4 2 4 6 4 2 4 5 4 2 4 6 4 2 4 5 4 2 4 5 3 3 4 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 4 3 3 5 4 3 4 5 4 2 4 5 4 3 4 6 4 2 4 6 4 3 4 6 4 3 4 5 4 3 4 5 4 3 5 5 4 3 5 5 4 3 5 5 3 3 5 5 4 4 5 5 4 4 6 5 4 4 6 5 5 5 6 4 3 6 6 5 4 6 9 8 10 9 8 30 17 17 56 15 22 12 12 11 10 16 86 46 18 8 9 4 4 6 6 5 5 6 10 6 10 7 18 14 100 46 33 24 10 6 7 4 4 6 5 3 4 6 5 3 5 6 5 4 4 5 4 3 4 5 4 3 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 2; 1HNMR: 99 98 s 1H | 92 91 s 1H | 83 83 t 1H J 56 | 78 78 dd 1H J 17 69 | 77 77 m 2H | 75 75 s 1H | 72 72 dd 1H J 49 68 | 70 69 d 1H J 92 | 68 68 ddt 1H J 8 17 87 | 67 67 m 2H | 62 62 s 1H | 45 44 dt 2H J 8 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(-c2cccc(N)c2)c(I)c2cc(C(=O)O)c(O)cc21
ir: 10 9 13 7 17 10 12 12 5 10 3 6 5 2 2 4 4 2 2 4 2 2 7 2 3 2 2 3 4 2 8 5 4 5 5 3 6 6 2 3 3 1 5 3 3 3 5 15 10 4 4 4 2 1 2 3 2 1 2 3 5 7 9 4 3 4 4 4 12 5 5 4 2 2 4 7 3 2 3 4 4 10 8 4 9 6 13 12 8 3 10 7 3 2 3 2 3 4 3 3 3 3 10 11 17 12 19 4 2 2 3 5 2 2 3 2 2 5 6 4 5 3 4 5 4 16 9 3 2 4 11 2 2 6 3 2 2 4 2 3 8 5 3 2 2 3 4 7 32 5 3 2 6 8 8 4 4 14 5 2 2 3 11 11 2 4 3 1 6 7 2 2 2 3 2 1 2 3 2 5 7 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 1 2 2 2 1 2 2 2 2 2 2 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 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 4 2 2 2 4 3 2 3 3 4 5 5 10 13 11 26 67 25 4 7 4 4 5 17 47 20 4 3 3 2 1 3 3 2 4 8 3 2 1 2 3 2 1 3 3 0 23 100 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 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 1 2 2 2 2; 1HNMR: 85 85 s 1H | 74 73 t 1H J 75 | 70 69 ddd 1H J 11 20 71 | 68 67 m 3H | 67 67 s 1H | 43 43 s 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(c1ccc(OC(F)(F)F)cc1)C(C#N)C#N
ir: 2 6 5 2 1 5 7 6 5 6 9 4 2 13 9 7 4 3 2 8 9 5 3 4 9 10 2 2 7 2 5 4 7 4 2 1 1 1 0 0 0 1 1 1 1 1 1 2 2 1 5 4 4 9 11 100 35 6 3 2 2 1 1 1 3 1 2 1 2 7 3 12 14 20 11 6 3 1 2 3 1 1 1 4 1 2 1 1 3 2 1 2 2 6 8 72 18 19 15 23 94 34 9 10 6 5 6 3 9 13 5 2 2 2 1 1 3 2 5 7 2 2 2 2 1 2 1 1 2 2 1 1 1 1 1 1 3 3 8 7 9 2 1 2 1 2 2 11 46 25 11 6 13 8 2 2 2 1 1 3 2 2 7 1 1 0 0 1 1 0 0 1 0 0 0 1 0 1 11 0 3 1 1 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 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 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 1 1 1 1 1 1 1 1 1 2 3 2 2 3 3 8 8 12 9 5 9 26 87 21 10 16 31 12 5 7 8 4 3 1 0 1 1 1 0 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; 1HNMR: 72 71 m 4H | 61 60 dddd 1H J 18 83 93 146 | 54 53 dt 1H J 22 145 | 52 52 dt 1H J 22 92 | 46 46 dd 1H J 17 87 | 40 39 tt 1H J 23 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccccc1NC(=O)C1(CNC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1
ir: 3 10 5 7 8 4 6 8 4 8 8 2 4 7 8 5 28 4 11 2 1 9 6 13 10 31 47 19 4 15 29 15 24 15 14 65 12 15 6 15 41 15 45 73 42 7 16 6 3 3 8 14 5 3 6 5 2 4 1 3 2 3 3 0 2 2 2 1 3 4 3 1 2 3 3 2 4 15 0 2 10 3 4 2 54 3 4 2 12 12 3 10 6 3 2 5 6 7 3 9 6 12 21 15 11 6 2 1 3 3 6 3 8 7 2 3 5 4 5 5 2 21 6 8 9 3 2 14 9 27 10 15 5 5 6 11 18 20 4 10 6 5 6 22 16 23 15 43 38 67 16 8 8 28 22 100 14 6 19 24 9 1 2 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 2 3 2 3 2 3 3 3 3 4 3 2 4 4 4 9 12 10 4 37 12 7 11 6 8 5 3 1 2 2 2 2 3 2 1 2 2 5 2 3 6 6 42 37 32 25 44 17 8 2 1 3 3 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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 0 1 1 1 0 1 2 1 1 1 1; 1HNMR: 85 85 s 1H | 82 82 s 1H | 76 75 m 1H | 72 71 m 5H | 67 66 d 1H J 57 | 63 62 t 1H J 55 | 38 37 ddd 2H J 41 69 139 | 36 35 d 2H J 55 | 35 34 ddd 2H J 41 69 139 | 27 26 qd 2H J 8 73 | 24 23 ddd 2H J 40 68 143 | 21 20 ddd 2H J 41 69 143 | 14 14 s 7H | 12 11 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cc3c(n2)c(Cl)nc2cc(OC)c(OC)cc23)cc1
ir: 3 5 7 4 9 5 5 5 3 8 7 3 3 4 4 10 8 7 10 13 15 28 2 3 3 2 1 2 3 1 1 4 4 2 1 4 6 6 5 12 5 1 2 6 7 0 2 4 5 0 42 35 9 3 7 14 11 8 14 10 5 6 8 9 9 7 33 32 38 53 14 4 3 3 4 5 8 2 2 2 1 0 2 2 1 1 7 9 7 7 6 4 3 3 4 11 18 8 9 8 2 1 3 2 0 2 7 13 83 3 2 3 1 5 16 18 4 5 8 6 5 4 8 20 5 8 5 11 3 3 11 2 2 5 2 1 1 2 2 1 1 6 22 2 2 3 14 11 34 66 20 6 8 8 8 44 6 12 16 4 1 4 3 0 1 2 2 10 5 1 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 1 2 1 1 0 2 1 0 0 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 1 2 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 3 3 1 1 2 3 3 6 15 17 16 23 100 93 19 39 21 15 3 5 6 1 1 3 4 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 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 1 2 1 0 1 2 1 0 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; 1HNMR: 78 78 s 1H | 78 78 s 1H | 75 74 s 1H | 73 73 dp 2H J 9 72 | 69 69 m 2H | 54 54 q 2H J 9 | 39 39 s 3H | 39 38 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.