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COc1ccc(OC)c(CBr)n1
ir: 8 9 10 12 11 11 10 15 12 10 9 8 8 10 10 9 9 10 10 11 19 19 8 9 8 8 8 8 10 9 9 25 46 16 11 9 8 11 11 15 29 27 14 9 8 10 9 8 8 8 10 26 100 73 19 7 9 10 9 8 9 10 9 11 14 24 9 8 8 9 7 7 9 9 8 9 11 9 8 7 9 9 8 11 14 12 8 8 13 20 13 12 10 9 7 7 9 9 8 9 25 22 8 8 10 9 9 18 20 11 18 10 11 8 6 8 11 11 14 17 15 9 5 8 11 8 7 12 12 7 4 10 13 6 4 16 24 0 59 11 5 15 13 6 5 27 45 8 8 13 13 37 12 9 11 9 10 8 29 22 8 10 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 9 9 8 9 8 10 10 11 8 8 8 9 11 9 12 29 12 27 52 26 15 13 11 12 9 10 8 8 8 8 7 8 8 8 8 8 8 8 7 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8; 1HNMR: 72 71 d 1H J 86 | 67 67 d 1H J 86 | 46 45 s 2H | 39 38 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)C1CCC(c2ccnc3ccnn23)CC1
ir: 5 14 12 11 4 2 6 4 9 6 18 21 17 11 16 7 7 5 8 10 7 51 6 3 3 3 4 4 3 3 3 2 2 2 2 6 2 2 3 4 3 11 11 7 3 2 3 2 2 3 4 5 34 14 16 9 5 7 3 2 2 3 5 5 3 2 2 2 3 4 4 5 3 5 9 16 7 8 2 8 4 6 21 15 11 7 13 5 3 2 2 2 4 5 5 4 4 14 18 16 8 14 19 25 35 13 11 7 15 13 55 36 15 10 17 7 7 6 11 10 6 7 9 7 6 4 5 5 5 15 10 3 5 5 4 4 4 4 19 6 4 6 4 2 4 18 19 10 5 5 5 5 3 3 2 2 15 14 13 100 7 0 3 7 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 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 5 5 4 2 4 8 7 5 12 7 9 15 10 15 8 31 19 10 5 7 71 37 6 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 2; 1HNMR: 83 83 d 1H J 75 | 80 80 d 1H J 33 | 71 71 dd 1H J 18 73 | 68 67 d 1H J 33 | 42 41 p 2H J 65 | 29 28 pd 1H J 18 62 | 24 23 dq 1H J 76 86 | 21 19 m 3H | 18 16 m 4H | 15 14 m 2H | 13 12 t 3H J 63 | 12 11 dd 3H J 14 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)c1cccs1
ir: 2 1 0 1 1 1 0 1 2 3 2 1 1 1 0 1 1 1 1 3 11 1 1 1 1 1 0 1 0 1 1 1 2 5 4 3 18 11 27 100 57 17 4 5 3 1 2 3 2 1 2 3 1 1 1 2 2 3 3 9 28 14 4 4 1 1 1 3 18 28 4 3 2 10 16 12 7 16 9 6 3 11 9 3 0 1 2 2 2 24 8 2 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 2 5 2 2 5 8 9 17 11 4 3 2 2 1 1 1 3 6 9 2 1 2 1 0 1 0 0 1 0 0 1 1 5 27 2 0 1 2 0 10 5 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 1 1 2 4 2 3 4 11 21 70 21 7 2 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 1 0 0; 1HNMR: 75 75 dd 1H J 17 54 | 72 72 m 1H | 71 71 dd 1H J 53 62 | 51 51 m 1H | 34 34 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)/C=C/CF
ir: 6 5 5 6 6 5 7 5 6 7 6 9 7 9 7 7 4 7 7 12 20 24 20 26 30 13 6 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 7 5 6 5 5 5 4 5 5 5 5 5 5 5 6 5 4 6 6 6 4 6 6 6 6 11 13 17 9 31 100 17 20 17 14 8 6 4 4 7 5 3 4 5 5 3 4 6 5 4 6 7 11 5 6 6 6 3 4 5 5 4 5 5 5 5 6 9 9 8 7 6 5 5 6 7 6 7 12 22 12 8 6 7 4 4 5 6 4 3 6 8 13 58 33 45 13 10 4 4 5 5 4 4 4 4 4 4 4 5 5 5 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 4 6 6 5 5 6 11 13 11 13 15 7 3 6 8 4 0 17 45 35 20 11 3 7 7 4 3 5 5 4 3 5 5 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 69 68 ddt 1H J 29 137 154 | 61 61 ddt 1H J 13 28 156 | 51 51 dd 1H J 13 29 | 50 50 dd 1H J 13 27
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(C1CCCCC1)S(=O)(=O)c1cccc(C#N)c1
ir: 6 5 6 2 0 2 8 15 11 5 16 6 1 4 6 12 27 2 30 6 3 1 1 1 1 1 1 7 2 3 0 9 0 3 3 59 4 1 1 2 1 1 1 1 1 1 1 1 5 1 1 2 1 2 1 6 1 2 1 0 6 2 2 4 23 1 1 1 4 4 1 2 8 1 3 2 5 7 22 2 2 2 2 1 24 10 33 1 2 5 1 1 1 1 0 0 2 5 12 1 4 1 2 10 2 1 1 1 1 1 1 4 4 3 2 3 1 2 3 6 10 5 8 6 26 53 30 23 5 5 5 5 2 1 1 1 1 1 1 2 15 3 2 2 1 1 1 1 2 4 100 3 5 1 2 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 1 1 1 0 1 1 1 2 1 1 3 2 2 4 3 1 1 3 2 3 8 21 9 3 41 19 5 6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 22 | 79 79 ddd 1H J 11 20 77 | 78 78 ddd 1H J 12 22 62 | 77 76 dd 1H J 64 79 | 42 41 p 1H J 72 | 21 20 m 2H | 19 18 m 2H | 17 16 m 2H | 15 14 m 3H | 15 14 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CO)C(=O)OC(=O)C(C)(C)CO
ir: 5 2 3 6 10 10 2 3 2 2 1 6 7 6 2 10 3 5 2 1 1 2 1 1 0 0 1 1 1 0 0 1 1 0 0 1 0 1 0 0 1 0 0 1 1 0 1 1 0 1 1 2 1 0 1 1 1 0 0 1 1 1 4 3 1 3 2 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 8 7 6 4 8 22 13 17 15 14 7 1 2 1 2 1 1 1 0 1 1 0 1 0 0 1 2 0 0 0 1 0 1 6 3 3 2 1 2 3 0 1 3 2 2 3 6 1 1 0 0 0 0 0 0 0 0 1 1 1 0 2 7 29 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 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 5 6 1 1 2 1 3 1 1 6 8 100 40 9 3 2 2 1 2 2 1 1 1 1 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 38 d 5H J 68 | 32 32 t 2H J 68 | 13 13 s 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCN(C(=O)Oc2nsc3ncccc23)CC1
ir: 9 29 46 23 10 16 20 12 24 7 6 3 5 4 4 16 4 3 5 3 2 3 2 2 1 2 3 2 1 3 2 2 3 3 5 49 14 7 5 9 11 3 3 2 3 2 2 2 2 2 2 1 2 2 3 4 3 3 3 2 3 4 7 3 5 2 2 6 3 5 2 3 4 3 7 5 3 2 3 9 3 3 2 2 3 3 45 8 4 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 2 3 5 8 7 4 5 9 9 5 7 6 8 13 8 14 4 4 32 11 12 8 3 5 2 7 5 3 62 15 18 17 7 3 4 2 1 3 3 7 100 0 2 9 85 14 8 9 54 4 4 4 3 3 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 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 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 4 3 2 3 3 3 8 29 7 5 4 15 6 5 1 2 2 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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; 1HNMR: 87 87 dd 1H J 22 38 | 84 83 dd 1H J 21 83 | 74 73 dd 1H J 38 84 | 37 36 ddd 2H J 59 86 123 | 34 33 ddd 2H J 58 86 122 | 19 18 ddt 2H J 55 84 123 | 18 17 dtd 1H J 53 64 117 | 15 14 ddt 2H J 55 84 123 | 10 10 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(F)(F)F)cc(SC)c1C(=O)NC1COCCC12OCCO2
ir: 2 6 5 3 2 10 7 3 5 15 12 29 5 5 19 3 2 8 13 9 3 9 8 3 7 38 38 84 31 14 8 3 5 13 16 22 81 90 22 23 22 24 17 28 16 4 4 5 4 4 4 4 14 3 10 14 4 17 8 19 13 10 4 47 28 12 16 19 24 24 18 3 7 55 7 7 4 3 3 3 5 10 3 2 2 3 4 7 7 9 7 12 13 14 7 9 3 64 56 67 10 19 4 5 13 89 5 8 31 19 20 9 8 26 9 17 100 34 32 28 28 15 15 28 12 32 39 25 23 48 6 5 9 13 6 5 2 3 3 3 3 4 12 7 5 16 44 64 13 67 28 7 5 0 3 21 10 0 1 7 9 81 6 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 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 2 2 3 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 2 3 2 2 2 3 2 2 2 3 3 3 4 5 3 2 3 5 13 3 12 21 8 6 11 9 10 9 55 32 24 48 55 6 3 3 3 2 3 3 3 3 3 2 3 3 2 2 2 2 3 3 6 11 23 34 69 26 5 3 3 2 3 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 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 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; 1HNMR: 75 75 dq 1H J 9 19 | 72 72 d 1H J 93 | 72 71 dq 1H J 9 19 | 42 42 dt 1H J 47 95 | 40 40 dd 1H J 48 121 | 40 39 m 2H | 39 38 m 5H | 38 37 m 3H | 26 25 s 2H | 21 20 m 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)N1CCC2(CC1)CC(O)(c1cc(F)cc(Cl)c1)CO2
ir: 2 4 6 13 10 5 8 3 2 5 7 4 8 5 5 5 3 2 2 2 2 3 1 1 1 1 1 1 2 2 2 4 3 1 1 1 1 1 1 1 1 2 2 0 1 1 1 0 1 1 1 1 1 3 1 1 2 2 2 1 1 2 1 3 6 20 9 5 8 8 9 19 8 1 2 1 1 1 4 6 9 2 1 4 7 4 3 2 7 8 3 4 5 10 2 4 2 2 1 4 3 4 2 2 4 3 1 1 1 1 1 2 5 7 7 2 2 2 2 7 9 9 20 9 6 7 3 4 7 9 8 4 6 3 3 5 6 2 2 1 1 1 1 1 1 1 0 1 1 2 7 6 4 1 0 1 1 1 5 5 4 2 1 2 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 2 2 3 2 3 3 3 1 2 1 3 3 5 11 7 30 11 10 9 2 4 2 5 5 100 32 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 dt 1H J 22 121 | 71 71 t 1H J 22 | 70 69 dt 1H J 20 121 | 46 45 d 1H J 120 | 44 44 s 1H | 42 42 d 1H J 121 | 37 37 ddd 2H J 37 64 126 | 34 33 ddd 2H J 37 64 126 | 24 24 s 2H | 21 20 ddd 2H J 36 62 134 | 19 18 ddd 2H J 35 62 132 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)Oc1cccc(SSc2cccc(OC(F)(F)F)c2)c1
ir: 2 2 4 3 1 1 1 1 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 2 1 1 0 1 2 5 6 2 1 3 2 1 1 0 0 1 0 0 0 1 1 2 4 26 8 2 1 0 0 0 1 1 1 0 0 0 0 0 0 0 1 1 7 7 8 2 1 0 1 1 0 0 2 2 1 1 2 1 2 1 1 5 15 3 1 0 1 0 0 1 2 5 43 9 22 46 22 100 7 1 1 1 0 0 1 1 2 2 0 0 0 0 0 1 1 1 0 1 1 1 3 2 1 1 1 0 0 0 0 0 0 0 0 0 2 20 10 2 1 0 0 1 1 0 0 0 1 7 2 6 4 4 1 1 1 4 7 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 4 12 42 23 4 3 2 2 1 2 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: 75 74 ddd 2H J 12 22 66 | 74 74 t 2H J 22 | 74 74 t 2H J 67 | 71 71 ddd 2H J 11 22 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(C#Cc2ccccc2)c(-c2ccccc2)nn1CCO
ir: 11 9 10 13 14 9 4 22 18 6 3 26 29 16 14 11 8 5 8 7 5 11 5 3 18 8 9 13 7 18 26 17 11 22 18 9 17 15 24 13 20 15 21 8 6 3 5 9 7 5 5 3 2 2 1 5 3 1 2 4 2 7 5 4 2 3 2 3 16 12 3 3 1 0 2 2 2 6 5 4 1 2 2 2 7 6 18 43 42 38 51 12 5 12 5 7 14 2 3 2 0 1 2 1 0 1 2 2 1 8 3 1 2 4 4 3 0 1 2 2 1 2 3 1 1 2 2 1 2 4 4 2 15 19 15 9 8 2 2 3 3 19 33 15 19 15 10 3 5 27 2 2 2 4 4 2 3 16 79 82 13 9 6 4 2 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 4 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 3 2 2 3 2 2 2 3 2 6 11 16 14 20 100 46 12 7 5 7 6 3 3 2 3 2 2 1 2 2 1 3 98 79 3 1 1 2 1 2 2 2 2 3 23 58 9 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 77 76 m 2H | 76 76 m 2H | 75 74 m 2H | 74 73 m 4H | 42 42 t 2H J 38 | 40 39 dt 2H J 37 61 | 39 38 dd 1H J 56 63 | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCCCN1CCCOC1=O)C1CCc2ccc(OC)cc2C1
ir: 8 4 3 6 7 2 1 2 3 2 1 5 5 2 2 4 3 2 1 3 3 1 2 3 4 1 2 8 3 2 1 2 2 3 1 2 5 32 13 10 3 2 2 3 2 1 2 3 2 0 1 4 10 8 7 13 3 6 3 5 7 5 4 7 4 3 8 8 6 7 11 7 3 2 3 3 2 1 3 3 2 1 3 6 18 11 9 7 5 4 8 7 4 5 15 5 3 2 7 3 1 4 3 4 3 2 5 3 6 11 18 3 4 3 5 3 1 6 7 5 3 3 8 19 10 7 6 9 3 5 4 2 3 6 7 5 3 6 7 5 2 6 9 3 2 4 3 0 4 16 100 14 6 7 3 4 3 2 2 2 2 2 4 2 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 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 2 2 3 3 5 3 5 5 1 2 4 3 1 4 11 22 6 12 19 32 3 4 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 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: 69 69 dt 1H J 9 84 | 67 67 dd 1H J 21 83 | 66 65 dt 1H J 9 21 | 42 42 m 2H | 38 38 s 2H | 34 33 m 4H | 30 29 ddd 1H J 8 67 136 | 29 25 m 7H | 25 24 dt 1H J 61 122 | 21 20 dddd 1H J 54 62 81 125 | 20 19 m 2H | 18 17 dddd 1H J 54 61 80 125 | 16 14 m 7H | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1c(C)nc2c3c(c(C(=O)OCC)cc21)CCC1(Cc2ccccc2C1)N3
ir: 3 18 7 14 2 4 1 3 8 2 4 1 3 5 4 3 1 5 2 7 3 10 3 5 2 3 2 2 4 1 15 1 2 2 1 1 1 2 7 14 17 37 4 16 3 6 28 1 2 4 8 7 3 15 3 5 16 15 2 0 9 9 4 4 3 4 4 16 14 8 9 19 13 8 8 2 16 4 7 29 4 9 13 11 5 2 4 4 8 23 7 6 2 5 3 4 1 2 5 3 16 2 1 3 3 5 1 3 4 4 2 5 8 21 26 7 7 9 19 17 43 7 15 25 16 30 35 12 12 15 15 11 13 6 17 19 4 44 4 42 8 2 19 55 4 4 2 2 2 18 1 3 1 1 34 3 1 1 13 2 1 0 1 1 18 1 1 1 1 0 1 8 1 1 1 1 1 0 3 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 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 10 3 5 2 8 24 12 13 6 16 14 16 15 30 100 27 45 81 67 14 10 22 5 6 8 3 2 2 3 1 1 2 2 2 5 3 27 23 7 6 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 75 s 1H | 72 72 m 4H | 63 63 s 1H | 59 58 ddt 1H J 62 108 161 | 52 51 dq 1H J 16 108 | 51 50 dq 1H J 14 163 | 48 47 dt 2H J 15 62 | 43 43 q 2H J 64 | 32 31 m 4H | 29 29 dd 2H J 7 146 | 25 25 s 2H | 21 20 m 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc2c(cc1Cl)N(C(=O)Nc1cccnc1)CC2
ir: 3 9 10 10 15 3 2 2 4 2 2 2 1 2 2 1 1 2 2 2 2 2 2 3 4 4 16 7 5 4 7 8 10 9 10 6 6 3 8 18 12 68 79 8 7 12 4 1 3 11 5 1 2 4 5 2 4 14 9 2 5 11 20 55 11 2 5 12 9 54 13 1 4 3 1 1 2 4 3 2 4 5 8 1 2 2 1 1 2 2 3 1 27 17 9 4 3 2 1 1 3 2 2 6 10 6 0 3 4 2 3 16 45 8 13 3 6 4 1 2 3 5 3 3 6 8 2 2 4 7 2 2 2 1 1 2 5 11 3 12 40 5 3 3 23 22 100 6 5 0 1 4 13 74 22 10 3 0 1 6 4 15 15 5 2 1 1 2 1 0 2 3 1 1 1 3 1 1 2 2 1 0 1 2 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 0 1 2 2 0 1 2 2 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 2 2 1 1 3 1 1 4 3 2 1 2 3 2 9 13 6 5 36 35 8 4 4 3 3 2 3 2 2 2 2 2 2 1 2 2 2 2 2 2 8 20 42 6 21 2 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 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 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 87 t 1H J 16 | 85 84 s 1H | 84 83 ddd 1H J 15 22 37 | 81 80 dt 1H J 19 77 | 74 73 dd 1H J 41 78 | 74 74 s 1H | 71 71 d 1H J 9 | 41 40 m 2H | 31 30 m 2H | 26 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCNC(=O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)cc1
ir: 4 3 2 5 3 4 3 3 4 5 13 19 5 9 10 8 14 7 6 5 4 5 10 5 4 4 3 4 7 16 5 6 6 5 36 28 27 20 8 5 15 19 53 13 5 3 4 4 3 1 4 4 7 2 14 9 17 76 8 12 22 12 7 5 4 6 11 8 10 10 6 8 3 5 7 5 3 5 4 2 2 2 2 6 4 4 4 23 18 4 8 15 8 6 7 6 6 11 7 17 3 3 4 4 41 4 3 3 3 3 3 5 11 42 4 6 7 4 6 3 7 6 4 7 7 9 4 2 3 2 4 10 6 12 61 11 8 3 2 3 3 2 2 4 7 8 19 17 11 15 23 22 10 15 3 12 3 62 6 0 3 3 2 2 2 2 2 3 4 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 2 2 2 2 4 2 3 3 2 2 3 3 4 6 13 13 25 95 100 8 7 5 3 1 3 3 2 1 2 2 2 2 2 3 2 2 2 3 2 2 5 22 16 8 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 77 77 m 2H | 76 76 m 1H | 75 74 dddd 2H J 14 69 80 250 | 73 72 t 1H J 48 | 72 71 m 2H | 70 69 m 2H | 45 44 td 2H J 9 46 | 44 44 m 2H | 34 34 td 2H J 48 61 | 26 25 t 2H J 62 | 23 22 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(=O)CC(=O)OC(C)(C)C
ir: 3 1 3 3 2 2 4 2 10 9 3 4 4 2 2 2 1 1 1 1 1 3 7 7 1 1 1 0 1 0 1 1 2 2 8 4 3 1 2 1 3 3 4 2 1 1 1 1 1 2 3 4 2 2 2 1 3 2 1 1 4 5 6 2 1 1 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 2 1 1 1 1 1 2 3 4 0 2 1 1 0 2 2 10 8 10 6 3 1 1 2 3 1 3 3 6 9 17 14 12 18 28 12 5 5 14 22 18 32 16 8 4 1 2 3 2 2 3 6 2 17 27 100 12 5 2 1 2 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 2 2 4 3 5 3 4 5 3 2 2 3 6 5 33 37 9 5 1 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 35 34 s 2H | 26 25 t 2H J 80 | 16 15 m 2H | 14 14 s 8H | 14 13 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.
COC(=O)CC1Cc2ccc(C=CCCN)cc2NC1=O
ir: 2 5 1 1 2 5 5 2 0 1 2 1 1 2 2 2 1 2 3 3 5 5 11 4 2 11 2 2 2 13 12 2 7 23 10 6 15 55 23 6 2 4 2 6 18 8 6 6 7 9 11 2 19 20 29 5 12 16 3 1 4 9 4 3 19 6 4 11 21 23 19 9 6 13 11 7 4 4 2 3 7 8 9 5 2 2 1 1 2 3 2 3 4 10 12 7 5 4 4 2 4 3 3 8 3 10 3 2 3 6 0 3 2 1 1 3 6 5 6 11 9 7 10 5 9 10 0 6 8 4 12 29 33 57 17 8 8 7 4 3 2 3 4 5 6 16 34 11 4 10 4 3 8 35 19 4 7 6 3 2 1 1 1 2 13 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 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 1 0 1 1 1 1 1 1 0 1 2 2 2 2 2 3 3 2 2 2 6 3 4 5 5 8 9 11 8 14 9 3 3 1 2 1 2 2 3 3 4 6 14 30 17 15 12 8 10 18 94 100 32 59 10 12 7 5 4 2 2 1 2 1 1 1 1 1 1 1 1 0 0 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1; 1HNMR: 87 86 s 1H | 76 76 d 1H J 21 | 73 72 dt 1H J 8 87 | 71 71 m 1H | 65 64 m 1H | 60 59 dtt 1H J 9 55 148 | 37 36 s 2H | 36 35 m 1H | 33 32 ddd 1H J 9 70 157 | 30 29 m 4H | 27 26 dd 1H J 75 172 | 25 24 qd 2H J 13 51 | 24 23 t 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CC(CO)CO)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
ir: 1 1 1 1 1 1 2 3 1 1 0 1 1 1 0 1 1 2 0 1 1 0 0 1 1 1 0 0 0 0 0 0 1 0 1 2 3 5 9 1 1 1 1 1 17 1 1 1 1 0 1 1 1 3 8 6 2 2 1 2 1 2 1 2 8 10 24 5 1 2 1 1 1 1 1 2 1 1 3 4 5 1 3 2 2 2 3 4 14 5 8 5 3 2 2 3 2 7 3 3 2 1 2 3 1 4 3 6 4 2 1 2 3 1 1 2 1 1 2 2 5 5 3 2 4 3 2 1 1 2 2 1 2 1 1 1 1 0 1 1 1 1 0 1 1 0 0 0 1 2 4 1 5 1 1 1 0 0 0 1 1 4 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 1 0 0 0 0 0 0 1 1 0 0 0 1 1 1 3 3 1 3 2 3 2 3 5 5 3 5 5 9 9 6 11 11 20 5 9 8 6 21 100 10 12 5 2 3 3 2 2 1 2 2 2 3 3 3 1 1 1 2 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 0 0 0 0 0 0; 1HNMR: 82 81 dt 1H J 9 16 | 78 78 d 1H J 16 | 73 73 dt 1H J 44 76 | 69 68 m 2H | 49 48 dd 1H J 8 147 | 47 47 s 1H | 46 45 dd 1H J 9 148 | 39 39 t 2H J 51 | 37 37 dt 2H J 52 114 | 35 34 dt 2H J 52 115 | 23 21 ddt 1H J 71 79 149 | 21 19 tp 1H J 51 84 | 18 17 m 1H | 16 15 m 1H | 10 10 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1Cc2nc3c(-c4cnccc4C)c(F)ccc3c(N)c2C1=O
ir: 8 9 10 9 9 11 15 12 11 10 13 11 11 11 15 13 14 14 12 16 16 18 17 11 11 16 15 12 11 11 13 11 17 10 12 23 9 9 10 13 27 85 25 18 15 14 10 11 11 8 38 39 12 11 11 9 11 15 10 10 9 11 9 8 12 9 9 11 12 13 10 12 16 11 18 10 9 11 10 9 9 10 11 10 11 28 26 12 12 15 15 10 9 10 9 10 9 9 9 9 9 12 9 9 9 9 9 9 10 10 15 15 16 11 10 10 9 12 9 9 10 9 8 9 9 10 8 10 12 9 8 10 10 10 9 10 10 9 8 9 11 9 10 12 14 0 45 11 8 18 10 10 16 13 21 67 21 6 16 39 15 45 11 9 13 15 10 7 9 11 9 8 9 10 9 8 9 9 9 8 9 9 8 8 9 9 8 8 9 9 9 8 9 9 8 8 9 9 9 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 9 8 8 9 9 9 8 9 9 8 8 9 9 8 9 9 9 8 8 9 9 9 8 9 9 8 8 9 9 9 9 9 9 9 8 9 9 9 9 9 9 9 9 9 9 8 9 9 9 9 10 9 9 10 10 12 11 16 13 24 28 13 10 11 10 9 9 9 9 9 9 9 9 9 9 9 10 26 14 9 9 9 9 9 9 9 8 10 23 100 21 10 8 9 9 9 8 9 9 9 8 8 9 9 8 9 9 9 8 9 9 9 9 9 9 9 8 9 9 9 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 8 8 8 9 8 8 8 9 9 8 8 9 8 8 8 9 8 8; 1HNMR: 87 86 dd 1H J 13 19 | 85 84 dd 1H J 15 48 | 81 81 dd 1H J 51 90 | 75 75 dd 1H J 90 102 | 74 73 m 1H | 73 72 s 2H | 47 47 s 2H | 37 36 q 2H J 73 | 25 25 d 3H J 7 | 13 12 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(N)CC(=O)O
ir: 1 1 1 1 1 2 1 1 4 10 3 2 2 2 2 2 2 1 2 4 7 15 19 8 2 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 3 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 9 9 12 14 1 2 1 1 2 1 2 2 2 2 16 21 4 18 34 5 4 13 2 2 3 2 2 1 1 1 1 3 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 5 5 8 2 11 7 2 3 10 6 3 8 33 8 3 2 1 1 1 1 1 1 9 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 3 6 3 2 1 1 2 1 1 1 2 1 0 52 100 11 8 2 11 31 8 1 2 3 2 11 87 57 5 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 44 44 d 2H J 73 | 33 32 m 1H | 26 26 dd 1H J 81 174 | 24 23 dd 1H J 81 174 | 10 9 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O
ir: 3 4 4 3 10 4 3 3 3 10 18 14 5 9 15 37 5 6 4 15 64 75 32 4 1 5 3 2 1 3 2 0 1 3 2 1 1 2 2 3 3 2 2 0 1 2 2 1 2 3 1 0 1 3 1 2 4 2 1 0 2 5 3 1 2 3 4 1 2 3 1 3 3 2 1 1 4 17 58 14 5 2 3 3 3 6 2 3 2 3 1 1 3 3 1 1 2 3 2 3 7 8 1 3 11 5 10 10 2 3 1 2 4 3 4 8 10 4 3 8 19 6 2 3 3 5 2 5 5 7 6 54 18 2 2 2 2 1 1 2 2 1 1 3 9 49 13 3 2 1 14 28 3 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 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 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 2 1 0 1 2 2 1 1 2 1 1 1 1 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 2 2 1 1 3 3 3 1 2 2 2 2 3 3 3 5 6 4 13 30 7 2 1 2 2 2 1 1 2 1 2 69 100 6 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 43 42 dt 1H J 18 84 | 37 36 ddd 1H J 57 75 86 | 36 35 dddd 1H J 17 57 76 86 | 22 21 dtdq 1H J 16 32 50 82 | 20 19 m 1H | 19 17 m 2H | 15 14 s 8H | 9 8 ddd 7H J 15 68 220
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)/C=C/CN1CCCCC1
ir: 7 8 9 7 5 2 1 4 9 6 5 8 4 3 2 6 17 6 9 9 10 7 6 9 9 5 2 4 4 1 2 4 5 5 12 18 7 2 3 5 2 1 1 4 2 1 3 6 3 1 6 5 6 0 2 5 2 1 2 5 3 0 2 4 2 0 3 5 6 1 3 4 2 1 15 10 4 2 7 6 8 25 31 28 28 19 23 5 4 2 3 3 4 6 10 11 8 8 15 9 24 6 5 5 2 3 4 3 2 4 8 8 9 18 9 6 4 4 7 5 1 8 14 8 3 6 7 2 2 5 5 4 4 8 6 3 6 20 23 100 39 27 9 4 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 2 2 7 14 6 3 2 2 1 1 3 1 0 1 3 1 0 1 2 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 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 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 1 1 2 2 1 2 3 3 3 3 6 3 3 4 4 3 3 7 26 41 38 24 11 5 1 3 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 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 0; 1HNMR: 69 68 dt 1H J 47 137 | 64 63 dt 1H J 13 137 | 34 34 dd 2H J 13 48 | 27 26 m 4H | 16 16 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CNS(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC12CC2
ir: 4 5 20 4 3 2 2 3 7 7 7 2 5 2 4 1 8 12 2 1 2 2 3 5 12 19 46 12 9 20 14 7 2 4 2 4 6 35 40 10 9 18 9 11 40 0 3 9 3 1 2 13 1 2 7 6 7 1 1 1 0 0 1 3 2 5 17 5 4 7 14 13 8 0 2 3 2 20 4 23 38 19 15 7 16 4 9 9 13 100 5 1 11 9 1 0 3 2 0 52 8 17 15 13 6 30 2 1 2 2 0 1 2 4 2 1 2 1 2 5 2 2 3 10 8 24 11 2 4 11 78 21 22 4 5 10 3 8 4 3 2 3 6 7 14 21 12 2 3 2 3 11 3 35 30 80 8 6 28 21 5 1 1 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 2 1 2 1 1 1 11 3 3 4 2 3 3 2 7 7 28 18 3 1 1 1 1 1 0 1 2 1 6 9 5 3 3 4 4 6 10 14 28 21 20 2 1 1 1 1 1 1 1 0 0 1 1 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 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 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 82 82 s 1H | 82 81 d 1H J 77 | 81 80 d 1H J 75 | 71 71 dd 1H J 57 64 | 67 66 d 1H J 57 | 39 38 m 2H | 37 37 s 2H | 37 36 m 2H | 21 20 dd 2H J 72 90 | 18 17 dd 2H J 72 89
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C(/C)NC(C)=O
ir: 4 6 7 5 24 19 15 5 3 5 10 6 3 4 2 2 2 2 2 2 4 3 2 4 4 3 5 8 4 5 4 6 3 3 3 4 3 2 3 5 4 3 6 4 15 15 15 28 36 18 6 3 6 8 6 3 4 9 8 4 3 8 4 8 5 5 7 5 6 6 13 7 7 7 17 30 34 37 14 4 3 2 3 3 2 2 2 2 2 2 2 2 2 2 3 6 6 2 2 2 2 2 6 15 8 7 8 30 15 3 3 3 2 2 3 3 4 6 3 6 6 6 17 14 5 4 7 3 2 3 2 3 3 2 3 2 3 3 2 2 2 4 10 17 7 93 49 18 64 100 33 15 7 4 2 2 2 3 3 0 75 7 3 4 2 2 2 2 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 3 4 5 3 3 4 3 4 3 4 3 3 4 4 10 9 20 45 35 17 9 6 4 4 4 3 3 3 3 3 2 2 4 3 2 2 3 3 6 8 18 31 53 32 13 10 9 21 21 10 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 83 83 s 1H | 48 48 q 1H J 14 | 37 36 s 3H | 22 22 d 3H J 13 | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNC(=O)c1c(O)c2cccn2n(Cc2c(F)cccc2F)c1=O
ir: 8 11 4 4 6 3 2 4 6 6 4 11 12 11 3 5 5 7 11 11 10 10 16 11 17 4 13 7 13 10 4 5 4 2 3 7 4 2 3 4 5 5 8 40 18 5 21 14 5 2 3 6 10 11 23 27 10 1 3 6 2 0 3 5 2 0 2 4 1 1 4 5 2 2 8 12 6 5 8 17 8 5 7 5 2 2 5 27 10 2 4 10 3 2 7 4 2 7 6 5 3 3 6 6 8 3 6 3 0 2 4 3 0 6 6 2 0 5 6 4 2 4 5 7 8 6 6 2 2 5 5 2 2 7 4 3 8 7 6 11 11 7 27 10 7 13 5 12 7 16 11 18 5 6 5 3 17 16 3 1 2 4 9 15 3 5 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 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 3 3 1 3 4 3 1 2 4 3 3 5 6 4 2 8 20 7 7 10 8 7 3 8 6 22 100 4 3 2 1 2 3 1 2 3 3 2 2 4 13 15 7 14 9 3 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 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; 1HNMR: 90 89 t 1H J 71 | 74 73 tt 1H J 51 77 | 70 69 m 5H | 54 53 t 2H J 47 | 39 39 d 2H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCc1ccccc1Cl)c1cc(N2CCCCC2=O)ccc1Cl
ir: 2 5 2 6 4 7 11 18 3 4 7 9 7 5 3 3 3 4 6 2 3 5 7 16 12 21 14 49 5 10 14 9 14 16 11 6 7 3 9 7 16 52 52 20 10 9 11 14 4 4 7 0 18 56 18 6 3 1 2 3 5 8 3 3 2 2 3 15 7 11 5 4 7 1 3 10 3 2 3 13 6 3 3 2 2 3 5 23 6 5 13 3 3 4 5 3 1 3 3 5 5 16 4 4 5 14 4 3 13 7 6 4 4 18 7 6 3 5 4 5 6 9 9 4 25 8 5 5 14 12 14 8 5 8 7 25 47 37 8 6 12 7 7 14 14 47 47 41 64 64 41 21 12 6 5 5 3 3 4 2 2 2 3 3 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 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 2 4 3 2 5 15 6 7 4 3 3 4 11 13 15 20 65 88 100 23 7 4 5 3 3 3 2 3 3 2 2 3 2 2 3 4 7 8 8 9 14 36 15 29 6 5 5 3 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 1 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 1 2 2 2 1; 1HNMR: 78 77 d 1H J 22 | 75 75 m 2H | 73 72 m 4H | 72 71 m 1H | 40 39 dt 1H J 48 126 | 38 37 m 2H | 37 36 dt 1H J 48 126 | 30 30 td 2H J 8 55 | 25 25 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.
Cc1cc(C)cc(SC2CCCCC2)c1
ir: 2 1 0 1 1 1 0 1 1 1 0 1 2 3 5 2 2 1 6 4 3 1 1 1 1 1 0 2 5 25 2 2 2 0 1 1 1 0 1 1 2 1 1 2 3 11 2 1 1 0 1 7 2 3 6 3 2 2 2 6 12 21 9 12 3 5 5 17 7 5 2 3 6 11 18 7 2 1 1 2 1 0 1 2 1 2 2 2 2 2 7 13 6 39 11 3 3 5 4 24 10 16 5 5 14 8 5 4 3 5 8 18 16 13 20 17 14 11 7 5 3 4 14 8 14 13 11 9 16 9 5 2 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 100 22 7 2 1 1 1 1 1 1 1 2 1 0 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 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 2 2 2 2 4 10 6 8 9 11 6 9 10 19 13 10 61 39 65 48 47 4 8 7 4 2 5 4 1 1 1 2 1 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 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 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: 69 69 s 3H | 32 31 m 1H | 23 23 s 6H | 18 17 m 2H | 17 16 m 2H | 16 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCN1C(=O)CC(NCCN(CCCC)CCCC)C1=O
ir: 8 5 6 5 6 2 1 2 3 5 2 2 1 3 2 3 1 1 1 5 1 1 1 1 1 1 1 2 12 6 1 1 8 24 12 3 2 4 8 11 19 10 4 7 4 3 4 3 4 5 18 4 7 7 24 4 3 4 8 2 3 7 7 5 3 5 2 13 4 6 26 13 7 2 3 3 2 2 2 6 3 2 3 8 30 7 3 2 2 2 1 1 2 7 3 2 2 1 2 3 3 3 6 4 8 5 4 3 13 5 8 7 7 25 13 15 12 15 8 13 50 11 4 14 7 4 10 7 4 3 7 5 19 15 5 6 4 3 4 2 1 2 1 1 0 2 20 5 3 1 2 6 100 4 1 2 2 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 0 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 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 6 8 7 4 4 2 2 4 2 5 17 16 3 1 3 1 1 1 3 2 1 1 1 1 2 1 1 2 2 1 2 3 7 33 38 8 3 3 2 3 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 41 40 dt 1H J 43 75 | 37 36 m 1H | 36 35 m 2H | 29 28 m 2H | 28 26 m 4H | 25 24 t 4H J 64 | 16 15 p 2H J 68 | 15 14 p 4H J 68 | 14 12 m 15H | 10 10 p 2H J 72 | 10 9 dt 9H J 71 155
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cnc(C(F)(F)F)cn1
ir: 0 1 1 1 2 1 1 3 11 2 3 3 2 1 2 0 0 1 2 4 6 2 1 3 2 1 1 1 1 0 1 0 1 1 0 0 1 0 3 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 1 3 0 0 1 3 4 1 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 2 0 1 9 2 1 0 2 3 1 0 9 6 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 1 0 0 0 0 6 1 0 0 0 1 4 0 0 0 1 2 1 2 9 8 4 1 0 2 1 0 0 0 3 15 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 1 1 1 1 1 0 0 0 0 0 0 1 1 1 0 1 1 1 1 5 21 1 1 0 0 0 1 1 0 1 3 31 100 3 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 0 0 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 q 1H J 20 | 77 76 s 1H | 53 53 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCCCC1
ir: 5 5 3 3 5 5 7 8 10 7 6 4 4 4 2 3 5 3 3 6 4 1 1 3 3 2 4 4 3 2 1 4 8 2 2 3 3 1 1 3 2 1 2 5 11 1 2 3 2 5 2 5 2 1 4 29 4 2 2 4 2 1 4 4 2 2 4 4 10 5 10 8 3 1 3 5 4 8 4 4 3 4 6 7 6 24 29 8 6 4 5 3 1 2 3 3 2 2 4 2 2 3 4 3 1 2 3 3 1 4 4 9 2 5 4 3 1 3 4 3 5 5 12 5 4 5 4 5 9 4 4 3 2 2 5 17 9 4 3 1 1 3 11 1 2 4 8 8 19 5 35 6 2 3 2 2 6 4 4 7 1 3 3 4 2 9 3 0 2 3 2 0 2 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 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 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 3 2 2 4 5 4 4 5 3 2 3 5 3 3 3 5 8 5 10 47 13 13 11 8 5 5 20 9 100 9 4 4 4 2 3 4 3 2 2 2 2 2 3 2 2 2 2 2 2 2 4 4 4 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 1 1 2 2 1 1 2 1 1; 1HNMR: 83 82 dd 1H J 14 91 | 81 81 s 1H | 80 80 dd 1H J 15 73 | 78 77 m 2H | 76 75 td 1H J 14 71 | 75 75 ddd 1H J 13 70 85 | 74 73 m 2H | 70 69 d 1H J 46 | 48 48 d 1H J 46 | 35 34 m 4H | 17 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.
CCC(C)N(C)C(=O)c1cc(-c2ccccc2F)c2ccccc2n1
ir: 4 2 1 8 4 2 1 2 4 2 1 3 3 3 1 2 2 1 0 3 4 4 4 2 2 1 2 6 3 3 2 2 1 1 2 3 5 6 9 2 9 12 54 84 50 4 2 4 7 4 2 4 1 0 1 3 1 0 1 3 1 1 8 6 3 3 5 12 19 25 12 13 4 3 4 10 8 14 5 4 2 6 4 3 29 7 8 7 1 1 2 3 3 3 4 3 1 2 3 7 5 8 5 5 4 2 2 3 3 15 6 2 1 2 16 10 5 27 7 4 2 3 4 2 3 6 12 9 8 5 17 15 14 14 5 9 16 40 14 10 16 29 10 3 2 4 7 31 37 100 29 29 10 3 2 2 4 3 2 0 1 19 28 3 4 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 0 2 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 2 1 2 3 2 1 2 4 2 2 4 2 4 2 6 9 10 8 44 87 68 11 19 10 2 2 2 2 1 1 2 2 1 1 1 2 1 0 1 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 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 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 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 85 84 m 1H | 83 82 dd 1H J 14 75 | 81 80 d 1H J 20 | 79 79 td 1H J 13 71 | 78 78 ddd 1H J 13 69 82 | 77 76 m 1H | 74 73 m 3H | 37 36 tddd 1H J 16 31 63 79 | 29 29 d 3H J 16 | 17 16 dqd 1H J 63 77 117 | 15 14 dqd 1H J 63 77 117 | 13 12 d 3H J 79 | 9 9 td 3H J 15 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCCCCN1CCC(=O)CC1
ir: 13 23 64 20 24 6 5 15 10 11 4 11 51 27 10 12 10 3 1 5 6 2 2 7 7 2 16 11 7 2 2 6 5 1 2 6 5 2 4 8 6 2 4 10 10 1 3 7 6 12 8 8 5 1 11 15 12 8 6 13 5 13 15 10 6 6 11 29 26 14 18 17 7 5 13 30 14 7 5 6 85 50 11 29 29 4 13 15 56 8 10 7 4 5 12 14 12 7 9 8 8 9 10 11 22 20 16 7 6 21 27 35 10 11 17 16 4 11 20 18 4 14 18 27 3 27 11 11 13 12 22 12 3 6 10 4 8 11 11 4 4 9 30 99 100 15 5 4 4 7 6 3 3 7 5 1 3 7 5 1 3 6 4 1 3 7 4 0 3 7 3 0 3 6 3 0 4 6 3 0 4 6 3 1 4 6 2 1 4 6 2 1 4 5 2 1 5 5 2 2 5 5 2 2 5 5 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 0 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 2 2 4 5 2 2 4 5 2 2 5 5 2 3 5 5 2 2 5 5 2 2 6 5 6 5 7 9 8 20 21 14 4 11 8 8 6 10 14 70 19 12 10 5 2 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1; 1HNMR: 35 34 m 4H | 29 28 m 4H | 27 26 m 4H | 26 25 m 2H | 16 15 m 4H | 11 11 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(N)Cc1ccc(C2CC2)c(OC)c1
ir: 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 3 2 0 0 1 0 1 2 1 2 1 1 2 1 2 4 3 3 3 2 1 1 2 2 1 1 4 6 3 4 22 13 26 19 44 100 24 4 2 1 4 6 15 9 9 5 6 6 7 28 20 8 3 16 13 5 12 4 11 13 5 2 2 1 3 2 4 6 4 2 1 2 3 4 2 5 5 3 1 1 1 2 2 1 1 1 4 2 2 4 1 2 3 4 4 3 11 5 5 7 4 5 8 19 11 10 7 12 12 11 16 28 18 11 8 1 1 1 2 0 1 1 3 1 3 14 12 12 5 7 4 6 1 1 1 2 4 1 1 4 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 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 2 1 2 2 3 5 6 8 6 2 17 31 10 14 8 2 1 2 1 1 1 4 3 7 9 32 18 19 13 3 3 5 8 25 22 9 3 2 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; 1HNMR: 72 71 dd 1H J 7 87 | 69 68 ddt 1H J 9 18 88 | 67 67 dt 1H J 9 17 | 38 38 s 2H | 32 31 ddtt 1H J 15 48 80 113 | 30 29 ddt 1H J 8 65 142 | 28 27 m 2H | 16 15 dqd 1H J 47 66 133 | 15 15 d 2H J 68 | 14 13 dqd 1H J 48 66 134 | 11 10 m 2H | 9 9 td 3H J 15 66 | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cncc(-c2ccc(C(C)(C)C(=O)O)cc2)c1
ir: 2 3 4 2 1 2 4 3 2 5 8 6 11 9 5 4 6 10 8 36 29 100 98 35 12 6 9 4 3 5 8 3 4 17 21 8 4 5 4 1 2 3 2 1 2 3 2 1 2 4 8 5 9 8 9 14 16 24 15 0 10 7 4 1 9 7 11 5 6 14 3 2 4 5 3 3 12 35 44 28 9 10 6 20 12 5 2 10 13 6 3 2 4 3 2 3 4 3 1 2 4 2 1 2 3 2 1 2 4 4 12 13 74 7 4 13 22 8 11 6 13 8 7 5 5 8 7 7 8 8 8 8 5 3 2 3 3 1 1 3 4 2 2 12 40 54 6 2 14 34 4 5 3 3 4 4 5 11 5 14 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 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 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 3 2 1 2 3 2 1 2 5 7 11 10 5 27 32 20 7 3 2 4 3 3 14 27 33 3 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 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 3 2 1 2 3 2 1 2 3; 1HNMR: 87 87 t 1H J 17 | 85 84 tt 1H J 9 17 | 79 78 tt 1H J 8 17 | 76 76 m 2H | 74 74 m 2H | 46 45 d 2H J 9 | 34 34 s 3H | 15 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][N+](=Cc1ccc(OCc2ccccc2)cc1)C1CCCCC1
ir: 2 3 4 2 2 3 4 4 5 3 4 3 4 7 4 5 2 3 6 2 0 2 3 1 1 4 7 1 15 4 6 2 10 3 3 2 3 15 12 17 27 35 23 4 23 5 5 4 5 14 29 4 4 19 26 72 17 15 7 3 2 4 3 2 4 24 16 9 12 13 4 2 5 4 6 7 17 8 16 8 3 2 2 1 6 13 7 4 26 9 5 4 2 3 4 19 10 7 5 2 2 4 38 28 5 5 3 3 5 4 4 6 19 7 11 6 7 3 3 2 12 3 6 5 10 12 6 5 2 1 2 2 3 3 6 5 4 2 0 3 3 1 8 65 18 9 4 3 3 10 17 21 19 6 3 4 2 1 1 2 1 1 13 3 2 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 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 2 5 2 5 6 3 8 3 4 5 7 14 28 40 55 100 46 15 9 3 3 2 2 1 1 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 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 1 1; 1HNMR: 79 78 m 2H | 77 77 d 1H J 20 | 74 74 dq 2H J 11 66 | 74 73 m 2H | 73 73 m 1H | 70 69 m 2H | 51 50 d 2H J 10 | 42 41 pd 1H J 16 73 | 23 22 ddt 2H J 71 93 128 | 20 19 m 2H | 18 16 m 2H | 16 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C[C@@H](Cc1ccc(-c2cc(F)ccc2OC)cc1)NC(=O)CCC(=O)OC(C)(C)C
ir: 7 6 6 5 5 5 3 5 7 13 7 11 4 5 6 3 1 2 6 6 3 4 4 4 6 4 5 9 4 4 6 9 3 3 8 6 18 8 7 26 12 6 3 5 5 3 5 7 4 3 3 4 10 16 22 29 27 47 16 1 7 6 7 12 3 4 6 7 15 13 2 2 3 6 8 5 3 3 1 2 3 2 1 2 2 2 3 3 7 4 4 3 8 8 9 5 6 8 7 6 5 4 7 4 2 10 16 7 6 8 5 5 7 11 11 6 2 19 7 11 9 24 23 10 6 11 13 11 9 11 17 39 18 5 5 6 3 2 2 4 14 5 9 14 66 89 84 100 79 35 34 9 15 3 2 3 3 0 1 3 3 0 1 3 2 1 1 3 1 0 1 2 1 0 2 3 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 0 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 4 6 2 7 7 9 7 11 4 3 5 4 5 8 19 75 16 49 29 26 5 7 7 3 4 2 2 4 2 2 1 2 2 2 4 3 6 6 8 23 47 83 49 14 8 12 12 5 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 m 2H | 72 71 m 3H | 70 70 ddd 1H J 26 83 101 | 69 69 m 2H | 42 42 q 2H J 66 | 42 40 dp 1H J 72 90 | 39 39 s 2H | 31 30 ddt 1H J 9 70 142 | 28 27 ddt 1H J 9 70 142 | 27 25 m 6H | 25 24 dd 1H J 74 169 | 14 14 s 7H | 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.
CCOC(=O)C(COC)(C(=O)OCC)C1CCCCC1
ir: 20 30 68 17 21 20 17 13 15 29 30 15 30 30 20 7 3 10 11 5 1 2 3 2 3 4 3 3 2 2 4 5 5 6 4 3 3 5 8 3 2 2 2 2 1 2 2 3 3 4 3 2 4 5 6 3 4 15 8 8 15 12 7 7 2 5 9 37 16 5 8 9 13 5 17 21 27 10 17 12 16 9 9 17 3 2 2 2 2 2 2 3 3 7 3 5 4 4 7 7 5 10 10 8 5 10 17 27 56 56 47 91 43 40 39 37 59 27 18 26 8 10 14 8 7 4 16 6 23 17 4 3 5 2 1 3 4 2 5 4 4 4 15 22 3 5 48 100 85 4 3 4 3 0 1 3 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 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 3 5 5 4 4 4 6 13 18 9 6 14 7 5 6 21 19 13 5 1 3 3 2 1 1 2 1 1 2 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 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: 42 41 m 4H | 41 40 s 2H | 33 33 s 2H | 26 25 p 1H J 64 | 18 17 m 2H | 16 15 m 2H | 15 13 m 6H | 13 12 t 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][n+]1cc2ncn(CCOc3ccccc3)c2c2ccc(OCc3ccccc3)cc21
ir: 1 3 3 2 4 5 2 4 3 4 1 10 8 1 1 1 2 2 0 2 3 2 2 2 2 2 3 2 6 22 12 19 11 5 3 2 2 16 21 58 100 63 25 12 5 1 2 3 0 1 1 1 1 4 6 8 18 11 5 4 2 3 0 3 5 7 31 24 38 6 6 4 1 2 2 1 0 2 5 2 1 1 1 6 2 0 1 0 4 7 1 1 2 2 3 3 4 3 5 7 17 2 3 2 1 6 2 1 0 1 0 1 2 2 3 3 3 6 2 3 2 1 4 2 1 4 8 6 2 7 16 2 1 20 16 21 20 6 2 1 2 1 3 23 9 21 6 4 2 2 3 5 6 18 31 5 6 18 12 18 3 2 15 34 3 0 0 1 1 0 0 1 0 0 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 1 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 1 0 0 0 0 0 0 0 0 1 0 1 0 1 0 2 1 3 1 2 1 2 1 1 3 2 9 9 16 46 49 55 12 18 4 4 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4H | 73 73 m 3H | 70 70 tt 1H J 14 75 | 69 69 m 2H | 54 54 d 1H J 9 | 52 52 s 1H | 48 48 t 2H J 8 | 44 43 m 3H | 37 37 td 2H J 7 54 | 32 32 d 1H J 53 | 29 28 dd 1H J 15 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(=O)OCC)=C(C)Cl
ir: 11 11 9 10 21 43 17 10 9 7 4 7 7 5 4 6 7 5 4 6 7 5 4 6 6 5 4 6 6 4 6 7 8 12 12 9 8 6 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 5 7 7 6 4 6 7 5 4 6 8 8 6 10 8 9 9 8 9 13 16 8 7 5 4 6 7 5 5 6 6 5 5 6 6 5 5 7 7 14 14 8 8 4 5 8 10 21 7 8 6 4 5 8 6 5 11 12 8 6 9 13 7 4 7 10 8 4 8 8 6 7 7 15 21 7 6 7 5 4 7 13 16 5 7 7 4 4 11 8 0 100 8 5 9 6 5 5 32 7 7 6 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 6 6 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 4 5 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 6 6 8 8 5 5 8 6 5 6 7 6 6 7 16 23 6 6 7 6 4 6 7 5 4 6 6 5 4 6 6 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 4; 1HNMR: 43 43 q 4H J 71 | 27 27 s 3H | 13 12 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=Cc1cccn2cc(C(OCC)OCC)nc12)N=[N+]=[N-]
ir: 22 11 21 8 9 12 16 12 6 15 11 6 2 7 10 9 4 6 10 5 10 15 12 5 7 12 11 6 9 15 10 7 9 8 6 5 39 100 79 14 7 7 5 3 4 5 4 2 7 7 9 8 13 18 10 0 5 12 4 7 21 11 38 23 38 24 27 4 4 10 12 21 31 43 23 33 16 34 16 17 12 8 3 2 4 5 2 3 15 14 22 9 9 5 9 24 10 11 6 5 22 15 2 3 5 4 0 5 9 4 2 7 13 13 16 10 7 12 33 13 10 14 22 15 17 15 11 54 20 19 17 8 5 3 1 4 7 21 79 76 7 3 2 7 19 13 23 10 19 11 32 93 13 4 10 16 4 3 3 4 3 1 2 4 2 0 4 4 2 0 2 5 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 4 5 7 2 4 3 1 2 3 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 3 10 5 2 2 5 4 3 3 6 6 3 5 5 5 25 38 54 44 4 21 32 90 34 11 3 5 4 6 4 2 1 4 3 3 1 3 4 2 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 3 2 1 2 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 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 3 2 1 2 3 2 1 2 3 2 1 2 4; 1HNMR: 87 87 dd 1H J 16 78 | 83 83 dt 1H J 13 82 | 79 79 d 1H J 9 | 72 72 d 1H J 13 | 72 71 t 1H J 79 | 58 57 s 1H | 44 43 q 2H J 71 | 38 38 dq 2H J 61 113 | 37 36 dq 2H J 61 113 | 13 12 t 6H J 61 | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CS[C@H](c2ccccc2)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1
ir: 5 4 4 3 2 5 2 5 7 6 2 4 16 5 15 16 17 45 28 30 38 5 5 5 8 7 10 21 27 69 30 44 7 3 4 5 5 8 7 20 100 8 3 3 3 3 3 2 4 9 5 5 4 12 15 12 5 1 2 2 2 3 2 3 3 2 2 5 7 16 3 3 2 3 4 4 4 3 32 16 8 12 7 3 4 2 2 2 2 9 3 2 5 27 16 4 2 5 5 7 6 11 1 3 2 2 1 2 3 2 10 7 2 2 2 2 2 2 8 10 5 4 3 4 6 13 29 5 3 6 4 6 3 2 1 16 3 2 2 2 3 4 17 50 13 37 6 28 16 69 12 1 5 4 3 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 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 2 2 1 2 2 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 2 2 2 3 3 3 2 2 4 3 2 3 6 5 4 3 19 15 19 43 67 29 0 4 6 5 0 4 13 56 49 6 1 2 3 1 1 2 2 1 2 3 4 2 8 38 4 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 1 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; 1HNMR: 74 73 m 6H | 72 72 dt 2H J 9 77 | 71 71 dq 2H J 7 73 | 55 54 d 1H J 79 | 49 48 t 1H J 77 | 46 46 d 1H J 73 | 40 39 dt 1H J 9 137 | 38 38 dt 1H J 8 136 | 23 23 d 3H J 9 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(c2ccc(CBr)cn2)CCCC1
ir: 15 6 5 10 24 4 7 11 6 3 11 2 1 4 6 1 1 2 1 8 1 1 1 1 2 1 1 2 3 2 2 1 4 2 6 5 16 22 17 3 6 3 3 3 4 13 3 3 3 2 2 2 2 9 25 10 4 2 1 1 1 8 6 1 2 1 1 1 1 1 26 3 2 2 4 2 2 11 2 1 1 1 1 1 2 3 3 8 3 3 1 3 3 3 2 2 3 7 2 8 6 13 3 2 1 3 15 14 10 21 11 5 9 7 10 4 8 13 5 3 5 5 5 10 3 11 3 5 8 7 2 2 3 1 3 2 5 10 1 1 1 2 2 5 8 100 2 5 3 18 10 3 1 1 1 1 1 0 1 5 22 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 2 1 4 8 13 4 3 2 2 2 3 22 26 6 12 14 24 6 3 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; 1HNMR: 84 83 dt 1H J 8 18 | 74 73 ddt 1H J 9 20 81 | 73 72 d 1H J 80 | 46 45 t 2H J 8 | 43 42 q 2H J 60 | 24 23 m 2H | 22 21 m 4H | 21 20 m 2H | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1cccc(Br)c1
ir: 0 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 2 7 13 7 1 3 5 1 0 1 1 0 1 1 2 3 25 4 2 67 31 2 1 2 1 1 1 1 1 0 1 2 3 0 1 2 1 1 2 18 11 2 2 1 1 1 1 1 6 8 2 3 2 3 5 6 7 8 1 1 1 1 1 1 1 1 3 3 8 3 5 3 2 1 1 1 1 1 2 3 1 3 4 4 1 1 1 1 1 2 6 4 7 1 0 2 10 12 3 1 1 2 4 1 1 1 1 1 2 1 1 21 20 3 1 1 1 2 1 1 1 1 1 20 3 3 26 0 0 1 3 8 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 2 2 2 2 5 4 3 4 25 9 7 73 100 24 6 2 1 2 2 4 1 1 2 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 ddd 1H J 13 21 81 | 73 73 tt 1H J 9 22 | 72 72 t 1H J 81 | 72 71 dtd 1H J 9 21 80 | 26 25 dt 2H J 9 70 | 20 18 dh 1H J 69 139 | 9 9 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cn1c(C)c(-c2ccc(=O)n(Cc3ccc(C)cc3)n2)c2cc(Cl)ccc21
ir: 11 3 3 2 1 2 6 10 13 5 2 3 5 6 3 7 3 16 3 3 11 3 1 7 14 11 3 3 3 2 2 4 7 1 3 3 5 5 7 2 3 1 1 2 2 4 2 4 6 2 5 7 13 37 15 15 29 100 19 14 13 10 4 9 9 5 3 9 8 13 5 3 2 4 2 2 1 1 2 2 6 7 2 4 7 4 3 6 1 2 1 1 2 3 27 15 12 8 4 7 7 4 4 2 1 2 8 14 2 2 1 2 8 6 5 5 2 9 12 6 8 12 3 6 8 20 10 8 4 8 2 3 4 2 1 2 1 9 3 7 33 13 5 13 35 14 9 21 27 19 7 8 5 14 52 31 4 2 3 1 1 2 2 21 3 1 1 0 1 1 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 1 1 1 2 3 3 3 1 3 1 2 3 1 1 2 4 4 5 14 22 58 79 27 50 8 8 9 2 3 3 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 d 1H J 92 | 76 76 m 1H | 73 72 m 4H | 72 71 dt 2H J 8 79 | 70 69 d 1H J 92 | 53 52 t 2H J 9 | 49 48 s 2H | 38 37 s 3H | 25 25 s 3H | 24 23 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(Cc1ccccc1NC(=O)C(C)(C)C)c1ccccc1
ir: 1 1 2 1 3 2 2 6 3 2 1 2 4 1 3 1 3 6 4 3 3 3 3 3 1 1 3 2 4 3 2 5 13 3 7 2 5 6 9 15 100 59 33 27 8 12 19 50 20 9 4 1 2 1 1 8 7 10 3 3 6 6 17 4 1 2 2 3 10 6 5 2 5 3 5 5 13 2 3 2 3 8 5 12 3 1 2 2 0 6 4 4 3 4 1 2 3 3 1 2 3 4 8 7 11 10 3 6 2 2 3 3 2 5 11 7 52 11 7 7 12 4 4 17 5 4 2 8 6 5 10 9 11 3 2 50 9 6 11 39 8 3 4 37 6 7 60 40 47 3 5 64 8 4 3 8 6 1 1 6 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 2 2 2 2 3 2 4 12 11 18 18 80 23 17 4 3 2 4 4 3 2 2 1 2 2 2 2 3 3 19 42 30 12 12 36 22 9 4 2 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H | 76 75 dd 1H J 14 79 | 74 72 m 5H | 73 73 s 2H | 72 71 td 1H J 18 77 | 71 70 ddd 1H J 13 73 80 | 43 42 dq 1H J 46 66 | 42 41 m 1H | 32 32 ddd 1H J 8 68 161 | 30 29 ddd 1H J 9 69 163 | 25 24 dd 3H J 15 48 | 12 12 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NCCCCn1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)cc1=O
ir: 7 10 3 7 10 8 4 7 8 6 3 8 7 7 4 5 7 6 6 6 6 5 6 11 5 3 7 7 6 4 4 6 9 4 6 5 5 4 6 10 18 10 6 10 13 17 12 17 25 6 7 7 16 6 14 29 11 7 6 5 6 5 7 5 5 5 13 19 61 66 15 11 4 7 6 7 4 4 4 5 4 7 12 6 4 4 4 4 9 11 8 4 5 6 5 8 16 22 26 32 35 100 51 11 0 4 8 8 5 9 11 8 4 3 6 4 2 7 7 6 6 7 12 14 5 6 5 11 3 7 9 4 3 5 6 3 3 6 6 5 16 26 10 12 6 7 13 23 6 8 7 11 34 16 9 15 19 15 8 3 4 8 6 4 20 64 10 3 4 5 4 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 5 5 7 8 5 5 4 5 4 4 7 11 6 9 23 21 25 24 39 18 11 3 6 5 4 4 4 4 3 3 4 5 4 4 4 5 5 5 18 50 31 8 6 5 3 4 5 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 85 84 s 1H | 76 75 dt 1H J 9 73 | 73 72 dd 1H J 72 79 | 71 71 tt 1H J 9 20 | 70 69 m 2H | 68 68 d 1H J 13 | 67 67 dd 1H J 14 74 | 38 38 td 2H J 9 59 | 36 36 d 2H J 10 | 32 31 t 2H J 59 | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(C)c1C(=O)CBr
ir: 0 12 20 12 3 12 21 16 6 16 26 14 15 23 39 26 10 21 22 11 5 15 19 7 13 18 21 9 8 21 19 33 17 23 18 7 6 17 14 4 7 19 14 4 15 22 19 8 16 39 43 31 50 35 64 27 54 23 11 3 13 27 25 29 16 20 11 7 18 29 29 14 14 18 8 3 13 17 6 4 13 15 6 5 16 17 6 6 15 15 15 13 35 15 4 10 25 22 9 10 18 14 12 25 39 24 6 14 20 11 11 38 42 26 8 15 23 25 21 37 35 23 9 43 62 22 14 24 52 27 22 32 35 60 67 39 21 13 5 17 18 11 13 16 33 18 9 14 13 4 7 18 14 95 70 100 15 5 8 16 11 3 8 16 10 2 9 17 10 2 9 18 9 2 10 17 9 2 10 16 8 3 11 16 8 3 11 15 7 4 12 15 7 5 13 14 6 5 13 13 6 6 14 13 5 6 14 12 4 7 14 12 4 7 15 11 3 8 15 11 3 8 16 10 2 9 16 10 2 9 16 9 3 10 16 8 3 11 15 8 4 11 15 8 4 12 14 7 5 12 14 7 6 13 13 6 6 14 13 6 7 14 13 5 7 14 12 5 9 16 14 7 12 18 13 9 16 17 17 7 12 28 28 34 80 34 40 6 23 38 62 42 21 30 10 6 12 15 10 5 12 14 7 5 11 14 7 5 12 13 7 6 13 13 6 6 13 12 6 7 13 12 5 7 14 11 5 8 14 11 5 8 14 10 4 9 15 10 4 9 15 9 3 9 15 9 4 10 15 9 4 10 14 8 5 11 14 8 5 11 13 7 6 11 13 7 6 12 12 7 6 12 12 6 7 12 12 6 7 13 11 6 8 13 11 5 8 14 10 5 9 14 10 4 9 14 10 4 9 15; 1HNMR: 67 67 s 1H | 44 44 s 2H | 25 24 s 3H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(Br)ccc1N
ir: 21 18 9 7 13 7 7 4 2 5 5 4 2 3 3 2 2 2 2 2 3 2 3 2 1 2 3 1 2 2 3 2 2 2 3 3 2 5 4 5 2 3 2 4 2 2 2 2 2 2 2 3 3 18 4 6 4 4 2 1 1 2 1 1 2 3 2 3 3 3 2 2 2 3 2 3 4 4 2 3 3 2 3 3 2 2 1 1 2 3 3 6 3 2 1 1 2 3 3 2 2 6 10 5 3 2 1 1 2 1 1 1 2 1 1 2 4 3 4 2 2 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 4 3 6 5 15 25 38 12 4 3 4 4 13 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 3 2 3 9 7 13 4 7 2 1 2 2 1 1 1 1 1 1 1 2 1 1 2 5 20 7 2 2 1 0 2 2 0 1 22 100 55 69 6 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 2 1 4 2 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 dd 1H J 9 22 | 73 72 dd 1H J 22 77 | 67 67 d 1H J 78 | 40 40 s 2H | 30 30 pd 1H J 9 69 | 13 12 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccccc1C1(NC(=O)Oc2ccccc2)C(=O)Nc2ccc(OC)cc21
ir: 6 1 5 2 3 2 0 2 1 3 4 10 1 2 3 1 1 1 1 2 3 1 1 3 5 7 2 1 2 4 3 6 6 9 5 8 10 10 8 12 8 32 7 18 3 1 2 2 0 0 0 3 1 5 3 2 2 0 1 1 1 1 5 2 3 2 1 5 8 5 1 2 3 4 3 5 1 1 6 2 1 2 9 5 1 1 1 1 0 0 1 1 0 3 1 0 1 0 1 2 5 2 1 23 3 2 1 3 1 0 1 1 3 1 1 1 1 1 1 2 1 2 1 1 5 1 1 1 1 1 1 5 2 1 3 10 4 8 6 1 3 11 12 100 8 4 4 1 2 26 10 7 17 7 6 24 32 2 1 3 2 2 6 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 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 1 1 2 2 4 5 4 16 50 22 12 4 1 1 1 1 1 0 1 1 0 2 1 0 1 1 1 1 4 1 3 3 47 29 15 5 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 92 s 1H | 78 77 s 1H | 76 75 m 1H | 75 74 m 4H | 73 72 m 3H | 72 72 td 1H J 13 75 | 70 70 d 1H J 20 | 70 69 dd 1H J 13 71 | 69 69 dd 1H J 22 77 | 41 40 q 2H J 62 | 38 38 s 2H | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@@](N)(C(=O)O)C(=O)OC(C)(C)C
ir: 6 4 3 3 2 3 3 2 4 9 5 6 9 6 6 2 0 10 15 7 21 44 11 6 11 6 8 4 2 1 2 2 2 1 1 2 3 2 1 2 1 1 1 1 1 1 1 1 1 1 2 4 4 3 2 2 2 2 1 2 1 1 2 3 10 7 7 21 22 6 2 3 2 3 4 21 37 19 21 58 25 7 3 5 8 7 15 7 7 3 1 2 2 3 2 3 3 2 1 2 3 2 10 7 1 1 1 2 2 2 1 1 5 4 1 1 2 3 4 7 8 4 2 5 5 5 4 19 49 16 19 13 4 5 4 2 1 2 1 2 2 3 2 11 17 15 7 3 5 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 2 2 1 1 1 1 2 3 4 8 5 2 1 1 1 1 1 1 1 2 5 27 53 30 8 8 16 8 2 4 16 8 4 7 100 94 5 0 0 2 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 45 45 s 2H | 42 41 d 1H J 126 | 39 39 d 1H J 126 | 33 33 s 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)c1ccc2[nH]ncc2c1)C1CCCCC1
ir: 1 1 1 1 1 1 2 1 3 6 11 59 22 4 6 1 4 6 3 3 3 5 16 17 4 1 1 4 7 15 50 1 1 2 2 2 2 6 6 12 33 79 26 13 7 5 6 1 1 2 1 0 2 2 3 17 3 3 1 0 1 2 1 0 1 2 1 2 2 2 2 1 2 7 2 0 4 1 1 0 1 1 1 0 2 77 21 3 2 2 3 4 2 1 1 2 3 3 1 2 5 8 10 12 6 12 1 3 3 6 16 30 18 14 15 34 9 8 2 15 12 9 4 18 11 3 2 5 7 4 1 2 4 1 2 3 2 2 1 5 9 38 25 82 24 8 29 31 7 6 7 1 3 5 5 6 3 13 6 3 1 1 1 2 2 3 1 1 1 1 1 1 0 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 3 4 3 5 3 3 3 3 9 21 11 7 29 10 7 4 4 2 1 1 0 1 2 1 1 4 2 5 3 2 2 5 1 4 8 2 21 100 33 28 18 17 9 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 84 84 d 1H J 18 | 83 83 t 1H J 16 | 79 78 dd 1H J 15 79 | 78 78 d 1H J 79 | 67 67 d 1H J 80 | 37 36 dp 1H J 58 81 | 18 17 dtddt 1H J 15 31 46 59 90 | 17 13 m 11H | 12 11 dd 3H J 15 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cccc(F)c1Cl
ir: 14 8 5 1 1 0 0 1 1 4 1 2 2 1 1 1 1 1 3 1 1 1 4 3 14 15 5 6 1 1 2 3 14 6 1 4 6 6 4 46 100 12 8 7 6 9 2 6 10 10 1 1 1 1 1 0 0 0 0 1 0 0 1 10 10 1 1 0 1 1 1 1 1 1 2 1 1 0 1 1 1 2 1 1 1 1 1 1 6 4 1 1 1 1 2 6 3 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 2 3 2 1 1 2 3 8 26 32 5 3 2 2 1 1 3 1 2 1 1 2 12 77 12 0 12 14 24 77 63 25 5 3 4 18 61 5 1 1 2 4 2 5 2 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 0 0 0 1 1 1 1 2 1 1 1 0 1 2 3 3 8 33 14 7 3 1 1 1 1 0 1 1 1 1 1 1 1 3 3 5 2 4 5 10 26 78 66 38 36 13 4 3 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 75 75 dd 1H J 14 77 | 75 74 td 1H J 50 78 | 73 72 ddd 1H J 14 79 101 | 68 68 q 1H J 51 | 29 29 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(OCC)C1CCc2cc(C(F)(F)F)ccc2N1C(=O)OCC(Cl)(Cl)Cl
ir: 13 52 32 22 11 10 7 5 5 5 9 11 50 10 4 7 4 33 17 14 10 10 7 2 13 5 2 2 1 3 2 3 5 11 19 8 6 5 8 5 12 40 8 3 2 2 1 0 2 5 5 5 5 7 48 12 31 25 3 12 4 2 1 4 6 17 16 29 23 7 5 8 15 53 44 38 71 23 9 48 52 17 11 9 4 38 12 18 9 4 4 9 37 17 7 3 2 2 4 5 26 6 3 15 5 6 10 8 7 8 3 12 94 100 39 39 30 46 40 8 10 10 11 5 10 7 5 10 4 11 20 10 1 2 1 0 0 1 1 0 0 2 1 0 1 1 1 0 0 4 7 11 59 8 16 4 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 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 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 1 1 2 2 2 3 2 1 4 5 5 3 6 9 17 17 6 14 70 13 14 16 27 23 3 2 1 2 1 2 1 0 1 1 1 0 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; 1HNMR: 76 75 ddq 1H J 13 27 71 | 73 73 dh 1H J 10 19 | 72 72 d 1H J 72 | 49 48 s 2H | 42 40 m 6H | 31 30 dddd 1H J 9 48 75 141 | 30 29 dddd 1H J 8 49 75 141 | 24 23 dtd 1H J 49 78 126 | 22 21 dtd 1H J 48 77 124 | 13 13 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C(C)N[C@H]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2)C1
ir: 1 6 6 6 16 17 7 11 6 6 7 4 4 9 20 41 40 12 9 4 4 11 10 1 2 4 4 2 2 4 3 5 4 9 9 25 50 20 19 15 5 13 60 16 18 14 38 33 16 35 13 3 5 9 14 13 10 13 12 33 11 23 6 23 14 23 46 12 21 13 3 4 9 15 6 10 24 35 10 12 5 4 6 13 27 27 44 34 100 50 32 40 20 13 12 21 12 11 10 16 11 6 14 12 19 6 26 19 23 17 6 11 14 6 11 13 28 12 16 15 24 15 13 22 8 13 7 12 25 12 5 10 9 4 18 11 12 26 9 4 5 2 4 11 11 5 4 11 14 84 24 9 6 10 8 7 4 1 4 10 5 2 19 16 4 2 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 4 1 3 4 4 3 2 7 5 4 4 6 4 9 19 25 44 97 60 20 10 2 7 5 3 1 4 3 4 2 2 3 2 6 6 10 64 65 29 11 3 1 4 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 76 75 m 2H | 73 72 m 2H | 71 70 td 1H J 13 77 | 70 69 m 3H | 42 41 m 1H | 39 38 s 2H | 36 35 m 1H | 35 35 ddd 1H J 54 73 127 | 34 33 m 3H | 28 28 s 5H | 27 27 m 1H | 21 20 dddd 1H J 15 54 72 127 | 19 18 dddd 1H J 35 55 73 126 | 15 14 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CN1CCN(c2nn(-c3ccccc3)c3ccccc23)CC1
ir: 2 4 1 1 2 4 3 7 7 1 1 1 1 2 4 3 7 33 8 36 14 11 2 3 1 1 1 2 2 1 3 1 5 5 33 19 3 2 3 2 13 2 43 31 8 3 3 1 1 0 1 3 1 0 0 2 1 2 1 2 3 0 1 1 1 6 3 17 23 20 15 4 1 1 1 3 1 10 3 2 1 1 1 5 1 6 6 3 2 2 4 14 11 4 5 4 1 10 8 4 1 8 12 27 12 4 8 25 6 1 1 1 2 3 3 1 1 2 2 3 6 5 3 14 5 5 9 4 2 6 4 13 32 6 77 51 15 10 15 7 5 99 16 4 7 3 6 17 4 3 4 19 8 9 4 8 24 45 4 2 2 6 1 1 1 1 1 1 1 0 1 1 0 1 1 0 1 1 1 1 0 0 1 1 0 0 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 1 1 0 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 1 1 1 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 2 3 3 2 1 1 2 2 6 3 11 15 16 23 100 87 17 6 6 4 3 3 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 81 80 dd 1H J 14 74 | 80 79 dd 1H J 12 83 | 78 78 q 1H J 9 | 76 75 m 5H | 74 74 m 1H | 74 73 ddd 1H J 13 71 84 | 38 37 m 4H | 37 36 dd 4H J 43 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnc2c1c(I)cn2[C@@H]1C[C@H](CN2C[C@@H]3C[C@H]2CS3(=O)=O)C1
ir: 11 4 2 1 2 2 3 3 2 39 1 4 2 1 1 2 2 1 2 1 2 2 2 11 2 2 5 7 5 2 2 2 1 3 2 5 1 1 2 2 2 1 5 10 5 4 3 9 8 8 1 1 4 4 3 0 1 2 5 2 4 3 3 0 3 11 3 42 2 2 1 1 2 2 1 1 3 3 7 2 4 5 7 2 4 4 3 6 16 20 11 3 2 1 3 5 17 4 6 4 100 3 10 6 5 24 11 3 11 9 5 8 5 2 2 3 1 3 6 3 2 1 2 1 1 4 2 4 9 3 4 1 2 2 4 1 1 1 1 1 1 1 2 3 4 1 1 1 1 8 6 2 1 1 1 0 1 3 25 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 7 8 7 6 4 3 19 8 8 15 44 11 0 1 2 1 2 2 1 1 1 1 1 1 1 1 1 4 8 3 2 1 1 3 6 46 7 2 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 1 1 1 1 1 1 1 1 1 1 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 s 1H | 75 74 d 1H J 7 | 66 66 s 2H | 45 45 m 1H | 38 37 dtd 1H J 29 40 49 | 34 33 dd 1H J 50 117 | 33 33 m 2H | 32 32 m 1H | 32 31 dd 1H J 29 117 | 28 27 m 1H | 26 25 m 2H | 25 24 m 1H | 22 21 m 3H | 20 19 dt 2H J 63 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C(C)(C)c2cc(F)c(NC(=O)c3ccncc3)c(F)c21
ir: 1 4 1 3 1 3 2 5 1 4 3 3 3 2 1 3 12 5 4 2 3 1 1 2 3 2 3 4 2 4 6 51 11 8 29 6 7 21 5 5 1 4 3 15 2 1 1 1 3 1 2 1 1 1 1 1 1 1 1 5 2 1 2 11 2 3 9 8 3 3 2 3 9 3 2 3 2 2 1 1 1 1 4 3 1 1 1 1 2 2 5 4 1 2 1 2 1 1 1 1 1 1 0 5 2 1 1 1 2 1 0 18 4 4 8 2 3 3 5 8 1 4 3 1 1 1 1 12 35 5 3 2 2 4 2 1 13 3 1 1 2 1 30 14 42 10 7 10 4 4 100 6 4 7 3 1 1 1 1 1 2 3 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 0 0 1 0 1 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 6 5 7 35 10 12 2 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 2 1 4 3 5 14 24 5 4 2 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 0 0 0 0 0 0 0 0 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 1 0 0 0 1; 1HNMR: 94 93 t 1H J 48 | 88 87 m 2H | 77 76 m 2H | 71 71 d 1H J 123 | 36 35 s 3H | 16 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=Nc1cc(NC2CC2)n2ncc(C=O)c2n1
ir: 3 2 2 2 3 5 3 4 8 12 19 12 2 4 3 5 4 3 3 4 3 3 3 9 9 8 21 27 13 29 20 7 3 4 4 5 4 7 19 10 6 6 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 3 3 3 2 4 4 3 8 11 33 15 8 10 16 4 2 2 2 2 3 3 5 5 7 5 3 2 2 3 26 6 5 3 3 4 6 2 2 2 2 6 14 3 2 5 6 2 2 2 2 2 13 8 7 4 2 2 2 4 2 12 10 2 3 2 3 3 4 5 3 4 3 2 11 6 1 0 100 7 17 9 3 5 4 5 3 4 5 6 7 3 2 3 3 3 3 7 10 13 9 4 44 9 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 2 2 2 3 3 5 11 3 4 3 5 7 2 2 30 13 3 5 3 2 2 2 2 2 2 2 3 2 2 3 3 3 5 6 4 10 16 37 13 11 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; 1HNMR: 98 98 s 1H | 86 85 d 1H J 60 | 83 83 s 1H | 65 65 s 1H | 32 31 dp 1H J 40 62 | 13 12 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3cc(C)c(Cl)cc3C(=O)c3ccccc3)c2cc1OC
ir: 5 5 4 4 5 9 3 4 5 3 3 4 4 4 4 6 5 11 7 8 7 10 3 5 5 5 4 6 6 5 11 10 13 5 25 44 31 6 9 16 5 18 6 5 10 4 5 5 5 7 60 10 5 8 3 4 3 2 6 5 9 4 4 7 7 12 18 69 100 67 13 18 14 10 15 5 5 5 8 5 8 6 3 3 4 3 3 3 4 5 3 4 7 19 8 5 3 14 5 4 4 3 4 3 3 4 3 3 4 5 7 9 16 7 4 8 18 7 4 6 5 5 8 8 12 9 9 5 6 7 11 6 4 8 5 4 14 17 10 7 6 11 18 13 7 7 6 8 12 35 19 3 21 15 10 0 27 14 8 50 14 8 7 3 3 4 5 21 3 2 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 5 4 3 4 3 2 3 5 4 2 5 9 7 9 14 38 90 98 56 24 9 11 5 2 4 5 4 2 4 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 86 86 d 1H J 49 | 77 77 m 2H | 77 76 s 1H | 76 76 s 1H | 76 75 m 1H | 75 75 m 2H | 74 74 s 1H | 70 70 s 1H | 70 69 d 1H J 49 | 39 39 s 3H | 39 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.
COC(=O)CNc1cccc(C(F)(F)F)c1
ir: 4 6 2 4 3 5 5 3 2 6 5 11 28 18 29 16 5 5 1 3 9 11 3 5 5 3 2 2 9 3 2 15 12 2 1 3 1 1 1 1 1 1 1 1 2 1 4 7 17 5 2 3 4 5 3 2 1 1 1 2 1 6 12 4 2 1 7 10 9 2 3 7 3 3 2 1 1 1 1 1 1 2 2 1 0 0 1 1 1 1 2 2 2 3 70 8 2 8 22 30 17 2 2 5 30 21 7 2 1 1 1 1 1 7 44 7 2 5 8 11 7 23 64 26 17 23 14 3 3 3 1 1 1 1 1 2 2 2 2 4 4 4 11 41 42 29 27 3 4 2 2 0 2 5 3 2 24 29 2 0 1 3 5 57 2 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 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 2 2 2 1 1 2 2 1 2 7 7 10 18 100 18 6 3 5 2 1 2 2 1 0 1 2 1 1 1 1 2 3 3 3 5 11 18 25 17 32 23 11 5 2 1 1 1 2 2 1 1 1 1 1 2 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 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: 74 73 dd 1H J 75 104 | 72 72 ddd 1H J 12 23 103 | 71 71 t 1H J 21 | 67 66 ddd 1H J 12 21 75 | 64 64 t 1H J 59 | 40 39 d 2H J 59 | 36 36 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCOC1=O)C(=O)OC(C)(C)C
ir: 8 3 3 3 3 3 3 2 3 2 14 6 8 9 4 3 2 4 3 5 3 1 1 1 1 1 4 2 6 1 2 2 1 3 10 5 4 4 39 20 10 8 23 4 4 10 6 3 3 4 4 4 6 14 18 6 3 3 4 24 4 4 3 2 1 19 5 6 17 4 2 3 3 3 32 5 4 11 1 2 3 8 7 3 3 2 1 1 6 19 100 10 7 3 2 2 2 2 3 8 16 11 4 2 1 2 19 24 5 3 5 1 1 3 5 7 38 40 17 10 4 3 3 2 17 51 8 7 4 10 4 5 2 2 4 7 1 1 1 1 1 4 6 2 2 2 34 0 7 4 77 8 2 2 4 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 1 2 3 4 4 20 6 14 36 11 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 3 9 18 57 24 7 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; 1HNMR: 73 73 m 2H | 73 72 m 3H | 64 63 s 1H | 43 42 t 2H J 51 | 41 40 m 2H | 32 31 m 1H | 24 23 m 1H | 13 13 s 8H | 9 9 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Oc1cc2nc(Cl)ccc2n1C(=O)OCC
ir: 11 17 14 16 29 61 10 16 7 8 6 2 1 3 4 2 1 4 3 2 1 5 6 16 8 9 6 3 1 3 3 2 2 4 3 3 5 16 7 1 7 5 10 5 7 61 55 23 3 14 8 5 23 42 13 3 4 8 3 2 4 9 3 1 5 14 3 2 2 4 3 2 13 5 10 9 20 16 5 2 2 2 2 1 2 2 1 1 3 3 8 2 3 2 1 2 3 2 2 3 5 29 7 3 28 4 0 7 7 42 22 6 9 9 15 7 17 11 18 17 15 3 2 3 3 3 4 3 8 6 1 2 3 10 100 8 7 3 17 34 5 2 3 4 6 9 10 96 9 4 6 17 42 6 4 24 88 7 4 4 11 2 2 3 2 0 1 3 2 0 1 3 2 0 1 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 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 2 2 3 2 2 4 3 2 2 3 3 5 20 12 11 6 23 32 85 12 6 4 5 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 81 d 1H J 82 | 74 74 d 1H J 79 | 64 64 s 1H | 44 43 q 2H J 59 | 43 42 q 2H J 65 | 14 14 t 3H J 60 | 13 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COc2c(cc(OCc3ccccc3)cc2C(=O)CCl)N1
ir: 1 1 2 2 1 2 3 2 3 4 6 5 4 22 6 4 10 10 8 7 9 13 3 2 4 3 3 3 9 19 37 59 33 5 4 5 7 12 21 24 42 9 6 5 4 3 4 6 4 3 5 19 4 3 4 4 3 1 2 2 1 1 1 2 4 7 11 25 12 16 10 10 4 2 2 2 3 3 2 4 2 2 2 1 1 1 1 1 9 4 1 2 2 1 1 1 1 5 3 3 3 16 4 3 5 3 8 3 2 4 7 11 1 1 3 2 2 2 11 7 3 9 7 9 8 7 6 3 3 2 5 19 5 6 6 6 12 10 2 1 2 8 7 41 25 6 13 7 4 5 8 4 11 38 8 0 1 4 7 12 2 3 6 100 5 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 1 1 1 1 1 1 1 1 1 2 2 3 4 1 2 2 2 1 4 4 24 13 22 71 30 12 10 3 3 2 2 1 3 2 2 1 2 2 1 1 2 2 3 3 4 9 11 21 33 22 7 10 10 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 77 77 d 1H J 20 | 74 74 ddt 2H J 9 15 66 | 74 73 m 2H | 73 73 m 1H | 70 70 d 1H J 22 | 50 49 d 2H J 9 | 48 48 s 2H | 47 47 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC(CCN2CCN(c3ccccc3I)CC2)CC12CCCC2
ir: 6 7 14 17 6 10 10 22 13 7 13 5 3 5 9 7 6 6 8 4 2 7 5 2 2 5 7 8 20 6 5 1 1 9 5 3 2 5 6 2 3 13 24 44 11 7 6 1 4 6 4 1 5 8 5 5 7 6 9 7 16 12 6 11 4 5 5 4 15 9 7 4 15 12 4 8 6 5 6 16 100 10 7 13 80 15 6 3 7 7 4 2 9 5 5 12 9 17 11 11 14 23 15 9 9 8 17 10 14 12 7 22 29 9 8 9 9 5 1 5 7 7 7 9 9 10 1 5 8 8 5 6 12 7 4 20 32 5 0 7 9 37 20 10 44 33 10 52 10 6 4 3 3 2 3 4 3 1 10 4 4 1 2 4 3 1 2 5 3 0 2 5 2 0 3 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 3 0 2 5 2 0 3 5 3 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 3 4 1 1 4 4 2 2 4 3 2 2 4 3 1 2 6 4 2 3 5 7 9 10 10 4 4 7 7 8 12 23 18 32 50 17 16 5 1 4 5 3 1 4 5 2 1 3 5 2 1 4 4 2 1 4 4 2 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 78 77 dd 1H J 14 79 | 73 72 td 1H J 14 72 | 70 69 m 2H | 47 46 p 1H J 45 | 34 32 m 4H | 28 27 m 5H | 27 26 dt 1H J 77 122 | 22 22 dd 1H J 44 137 | 21 20 m 2H | 20 19 dd 1H J 44 137 | 19 18 m 3H | 18 16 m 5H | 17 17 s 0H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(N)nc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
ir: 4 5 4 4 5 6 8 4 5 7 6 9 6 8 14 7 6 5 6 4 5 7 6 4 5 6 8 8 8 6 6 8 8 6 6 4 4 4 4 3 4 4 4 10 21 12 6 5 4 4 5 4 3 3 4 3 3 4 3 3 3 3 3 5 4 4 4 3 4 10 4 3 4 3 3 3 4 4 5 3 5 7 5 3 4 4 9 8 9 10 15 6 16 9 5 4 6 8 9 6 3 4 4 3 4 10 5 3 3 3 3 3 3 3 3 3 3 4 5 4 3 3 5 12 4 7 5 4 3 4 4 3 3 3 5 5 3 4 4 3 3 3 3 4 6 18 11 20 12 8 5 4 16 5 3 0 23 2 3 4 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 6 3 3 3 3 4 15 12 8 7 100 12 9 3 3 3 3 3 3 3 7 13 4 3 3 3 3 3 3 3 3 3 6 79 26 4 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 63 63 s 2H | 60 60 m 1H | 48 48 d 1H J 50 | 47 46 t 1H J 54 | 41 41 s 1H | 40 40 m 1H | 40 40 s 4H | 40 39 m 1H | 39 38 m 1H | 36 36 m 1H | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(NC[C@H]2C3=C(CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@@H]2CO)C(C)(C)CC3)CC1
ir: 1 2 1 1 1 1 3 1 2 1 2 1 1 1 0 1 1 0 0 0 0 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 2 5 2 7 2 5 3 0 2 2 3 2 1 1 1 1 1 1 2 3 1 2 1 2 1 1 1 1 2 2 2 1 1 1 1 1 1 2 2 1 2 3 5 7 3 2 2 4 3 12 16 17 15 3 2 2 1 2 2 2 3 1 1 1 2 2 2 2 5 1 2 3 2 2 3 3 3 4 1 8 5 3 2 2 2 1 3 1 1 2 2 3 2 1 2 2 1 1 2 2 5 3 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 2 1 2 3 3 3 1 3 4 2 3 3 4 6 4 2 1 2 2 4 3 4 13 37 100 20 8 6 2 2 3 3 1 4 4 6 24 20 5 4 3 2 2 1 3 3 2 1 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 39 38 m 1H | 37 36 dd 2H J 51 63 | 30 29 dp 1H J 40 80 | 28 27 m 4H | 26 24 m 3H | 24 23 m 1H | 24 23 s 3H | 22 22 dddt 1H J 9 46 64 139 | 22 18 m 7H | 18 17 dddd 1H J 42 70 95 136 | 17 17 m 1H | 17 16 ddd 2H J 14 23 58 | 17 16 m 4H | 16 15 m 2H | 15 15 d 1H J 51 | 15 14 m 1H | 15 14 m 1H | 14 13 m 1H | 14 13 m 1H | 11 10 d 5H J 139 | 9 9 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)c1
ir: 5 1 2 1 2 4 6 6 2 2 2 2 1 1 2 2 2 6 4 3 2 2 2 1 6 3 2 2 1 7 3 8 1 6 3 2 3 4 5 2 1 4 1 0 1 2 1 2 3 7 6 3 7 7 5 7 14 1 1 1 1 1 11 2 7 1 3 5 5 4 0 0 1 1 0 0 1 1 1 0 1 2 3 7 22 17 16 5 15 2 1 1 1 1 0 5 8 5 3 1 2 4 6 4 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 4 8 2 4 5 3 1 0 1 1 1 1 2 6 15 4 4 3 3 5 6 3 0 0 1 2 2 23 5 3 2 1 6 2 4 0 1 1 1 1 1 1 0 7 1 0 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 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 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 6 7 22 12 11 3 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 2 3 13 100 10 4 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 81 81 s 1H | 79 78 m 2H | 77 77 m 2H | 77 76 m 2H | 76 76 t 1H J 11 | 74 74 dd 3H J 15 94 | 74 73 m 1H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2ccc3c4ccccc4ccc3c2o1
ir: 2 5 19 14 1 10 20 7 6 25 24 6 4 7 4 3 1 3 6 7 8 44 41 6 2 6 4 3 7 7 3 1 1 3 4 4 2 6 6 5 11 47 38 15 5 5 3 2 17 17 6 2 9 100 73 5 5 7 3 0 3 4 23 17 3 5 2 1 7 6 2 3 18 10 7 5 4 4 2 1 4 4 3 2 15 5 15 7 6 4 9 8 3 3 7 10 4 3 5 6 7 6 25 44 7 23 15 6 24 26 7 15 20 28 9 8 28 8 3 4 5 3 1 16 29 10 0 5 10 3 3 14 6 6 8 15 16 9 7 13 15 25 18 9 8 58 45 54 19 3 2 11 18 17 33 13 4 1 3 7 16 5 9 13 3 1 2 4 3 0 5 7 3 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 2 4 4 2 2 3 3 2 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 2 3 3 1 2 3 2 1 2 3 3 2 2 4 4 2 2 3 3 3 4 4 3 4 5 5 5 14 12 14 47 48 88 52 35 31 16 16 6 3 5 5 3 1 4 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 85 85 dd 1H J 13 84 | 83 82 d 1H J 102 | 81 81 d 1H J 78 | 80 79 m 2H | 79 78 d 1H J 80 | 78 77 d 1H J 22 | 77 76 ddd 1H J 13 69 84 | 76 76 ddd 1H J 13 69 87 | 45 44 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@@H](N)c1ccc(OC)c(OC)c1
ir: 2 1 0 1 1 0 0 0 1 1 1 1 0 1 0 0 1 0 0 1 1 1 2 1 3 2 1 1 0 0 0 0 0 0 0 1 2 1 1 1 1 0 0 1 1 4 5 2 1 1 0 2 1 2 5 4 3 1 3 5 2 1 3 5 1 5 7 4 6 5 6 9 2 1 2 3 1 2 4 11 13 3 2 0 1 1 0 0 1 3 3 3 1 1 0 1 1 1 1 2 1 1 0 1 0 0 0 0 1 1 2 2 1 1 0 0 0 1 2 1 1 1 1 1 2 3 7 4 2 8 5 12 17 22 12 5 3 2 1 0 1 1 1 11 7 2 1 0 0 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 0 0 0 1 1 2 1 6 8 4 2 1 1 0 0 1 0 0 1 1 5 13 21 10 3 4 2 2 0 3 100 14 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 69 69 m 3H | 46 45 tt 1H J 60 71 | 39 38 d 6H J 22 | 37 36 d 5H J 58 | 30 29 dd 1H J 64 178 | 27 26 dd 1H J 64 178
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(N)=O)[nH]c2c(Br)cc(F)cc12
ir: 2 2 1 2 3 2 1 2 3 4 3 3 10 14 5 3 3 2 1 3 9 8 6 3 2 3 2 2 41 28 38 7 5 3 3 8 5 9 8 3 2 3 3 8 11 18 2 4 2 1 2 3 2 1 2 3 2 0 2 9 3 2 2 3 2 3 12 14 5 2 2 3 1 1 3 3 2 5 4 4 2 2 2 2 1 1 2 2 1 1 2 2 2 2 4 4 8 13 8 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 19 12 6 6 3 2 2 5 7 1 2 3 3 17 10 2 1 1 2 2 1 1 2 3 1 1 6 20 13 3 3 4 6 1 5 49 4 2 2 4 3 8 0 44 24 6 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 2 4 6 3 9 23 14 4 2 4 3 1 2 2 2 2 2 2 3 2 2 3 28 13 6 2 1 2 3 3 5 12 17 6 4 28 100 16 1 1 2 2 1 1 2 2 1 2 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: 97 97 s 1H | 75 74 dd 1H J 21 122 | 74 73 dd 1H J 22 121 | 68 68 s 2H | 30 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)c(Br)cc1S(=O)(=O)Nc1cccnc1
ir: 2 1 1 2 3 3 4 3 2 3 1 1 1 1 1 1 2 1 2 2 2 4 2 1 2 1 2 4 1 1 2 1 2 5 6 12 3 1 2 2 2 1 1 1 2 1 1 1 0 0 1 1 3 1 1 1 1 1 1 2 1 1 1 4 10 3 4 2 2 3 7 3 1 1 1 1 1 0 1 1 1 1 1 1 4 9 1 4 2 1 1 1 2 2 2 1 0 0 0 3 2 3 8 1 1 1 1 0 1 0 1 3 2 1 1 1 1 1 4 5 4 3 1 1 1 1 1 1 2 7 15 3 3 0 1 1 6 0 0 6 2 2 0 2 40 2 1 0 0 1 1 1 5 9 2 0 0 1 0 0 10 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 6 9 2 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 2 1 1 4 27 100 10 1 1 2 1 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 s 1H | 84 84 m 1H | 83 82 ddd 1H J 14 21 38 | 80 80 s 1H | 76 75 dt 1H J 19 77 | 74 74 dd 1H J 40 78 | 72 71 s 1H | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncnc2cc(OC/C=C/CN3CCOCC3)ccc12
ir: 1 1 2 4 1 1 1 1 0 1 1 0 0 1 1 2 1 2 1 1 3 3 5 3 2 5 15 14 3 2 2 14 2 3 10 0 1 3 2 1 8 7 2 0 1 2 2 4 19 31 3 2 3 3 2 5 3 3 2 1 2 1 1 1 2 4 2 10 3 12 22 5 3 3 3 7 11 7 2 5 19 5 3 1 1 1 11 4 1 4 13 3 10 3 5 29 9 3 1 2 2 1 0 5 3 2 0 1 2 3 2 3 4 4 16 16 7 12 6 5 7 3 1 3 2 1 2 8 2 2 1 1 2 2 2 4 12 100 4 2 2 0 0 1 1 0 1 2 1 0 0 2 3 4 3 6 21 6 1 1 1 0 1 1 1 11 6 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 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 1 1 1 1 1 1 2 2 3 2 2 1 2 2 3 4 8 14 36 16 24 13 8 2 2 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 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 89 88 s 1H | 80 79 d 1H J 93 | 72 72 d 1H J 24 | 69 69 dd 1H J 22 92 | 58 57 dtt 1H J 14 40 157 | 57 56 dtt 1H J 15 42 158 | 46 45 dq 2H J 12 42 | 37 36 m 4H | 33 33 dq 2H J 11 41 | 26 26 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(C)=N/NC(C)(C)C
ir: 7 12 6 3 3 6 6 6 6 15 15 7 6 15 34 72 46 12 6 5 4 6 5 3 3 5 3 2 3 4 10 38 4 3 4 3 3 3 3 2 3 3 4 3 4 6 3 3 3 4 3 3 4 4 3 2 3 4 4 3 7 5 10 7 5 9 11 7 5 4 3 4 8 4 5 8 3 3 3 5 10 8 31 34 15 8 7 4 4 4 3 3 4 4 5 4 7 3 4 3 5 8 27 12 14 6 4 3 4 3 3 6 6 8 13 13 29 21 13 14 10 11 8 5 4 6 19 12 37 26 66 30 17 9 82 53 15 2 0 6 5 2 1 5 5 3 14 5 4 1 2 5 4 2 2 49 22 5 3 4 3 2 3 5 3 2 3 4 3 1 3 4 3 2 3 4 3 1 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 2 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 2 2 5 4 2 2 3 3 2 2 3 3 2 3 3 3 3 4 5 7 5 4 4 4 3 5 5 4 2 4 6 8 12 34 16 7 4 4 5 3 3 3 4 4 4 4 3 3 3 3 5 4 5 6 6 4 7 4 9 17 100 93 11 6 7 6 6 5 4 6 5 3 3 4 4 2 2 4 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 4 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 2 3 3 2 3 3; 1HNMR: 73 73 s 1H | 43 42 q 2H J 71 | 21 21 s 2H | 14 13 t 3H J 71 | 14 13 s 9H
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[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
ir: 2 2 2 3 2 4 3 4 5 4 6 6 5 8 7 4 8 4 5 15 22 16 6 3 4 6 10 2 2 5 3 1 2 3 4 5 3 6 8 3 14 4 5 10 7 3 4 3 2 2 2 1 1 1 2 3 2 3 2 1 2 3 3 1 2 3 2 2 3 2 2 2 2 3 4 11 4 12 11 8 5 2 3 2 3 5 2 1 2 2 2 1 3 2 2 3 4 3 1 3 1 2 2 3 4 9 4 5 7 3 10 3 2 2 1 2 4 2 5 3 8 7 3 7 6 3 3 3 3 3 1 26 0 2 3 2 2 10 5 2 2 7 100 19 3 8 12 8 13 5 7 19 4 7 2 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 3 4 3 3 9 4 4 11 6 1 6 9 2 2 1 2 6 5 2 1 1 1 1 1 2 1 1 1 3 4 8 15 26 13 19 6 2 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 d 1H J 68 | 83 82 s 1H | 77 77 d 1H J 93 | 76 76 m 1H | 74 73 dd 1H J 15 77 | 72 71 m 2H | 71 70 dt 1H J 8 67 | 46 45 dt 1H J 66 93 | 42 41 ddt 1H J 17 35 53 | 36 35 ddd 1H J 34 51 123 | 35 34 dddd 1H J 18 33 51 122 | 33 33 ddd 1H J 7 66 146 | 31 30 ddd 1H J 7 66 146 | 26 25 dddd 1H J 34 51 69 129 | 24 23 m 1H | 20 19 ddtd 1H J 34 52 71 123 | 19 18 ddddt 1H J 18 37 53 70 140 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cc1ccccc1-c1cnc2ccccc2c1)C(=O)O
ir: 2 2 1 1 4 15 4 1 2 1 2 3 7 4 2 2 5 3 1 4 14 100 24 4 1 4 2 1 2 2 2 3 2 2 1 1 1 2 2 2 2 2 14 42 2 3 1 6 22 2 1 2 1 1 2 1 1 1 1 2 1 6 2 1 1 1 1 3 2 7 6 7 2 3 4 4 4 13 40 10 2 3 3 2 4 1 6 2 2 2 5 8 15 2 1 2 7 3 2 1 2 1 1 3 3 4 3 3 2 2 2 2 1 1 1 2 2 2 4 5 2 4 13 5 5 2 1 2 6 2 1 1 1 1 1 2 8 15 6 2 5 1 2 36 3 11 7 7 9 2 1 2 8 4 35 7 6 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 3 2 4 5 4 14 15 15 22 4 2 2 3 1 0 43 60 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 89 d 1H J 16 | 83 83 t 1H J 19 | 81 80 m 1H | 80 79 m 1H | 78 77 td 1H J 12 76 | 76 75 m 2H | 74 73 m 2H | 73 72 ddd 1H J 13 72 82 | 31 30 ddd 1H J 8 78 145 | 29 27 m 2H | 12 11 d 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COP(=O)(CC(=O)CCCCc1ccc2c(n1)NCC2)OC
ir: 17 16 12 22 25 27 0 12 11 10 8 11 5 6 8 6 8 6 8 6 10 8 6 5 5 4 5 7 5 2 3 7 5 13 62 21 22 9 14 17 9 17 10 12 8 7 10 26 28 8 4 7 20 24 16 19 25 19 8 6 3 3 6 4 3 6 18 43 8 51 25 10 5 34 36 8 6 5 13 9 6 51 12 10 4 4 12 14 38 6 9 7 4 5 17 6 3 3 5 5 4 5 6 6 1 4 8 13 22 21 14 19 42 23 22 17 14 17 12 18 6 9 11 14 7 26 16 6 4 7 13 9 5 9 20 25 50 100 25 13 10 92 13 4 3 7 8 9 90 32 17 91 23 6 4 5 5 83 50 6 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 2 2 3 3 2 3 4 4 2 3 4 4 3 4 6 7 11 10 12 14 8 5 8 5 4 5 31 65 19 24 31 11 9 5 7 5 4 4 4 3 4 4 5 4 4 5 5 4 3 6 6 5 16 23 31 78 25 10 14 20 10 6 5 4 4 4 4 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 4 3 2 3 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 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 72 71 dt 1H J 8 77 | 66 65 dt 1H J 9 79 | 46 45 t 1H J 30 | 38 38 d 5H J 108 | 37 36 td 2H J 31 49 | 32 31 m 1H | 31 31 s 1H | 31 31 s 1H | 31 30 dtd 1H J 8 48 161 | 28 27 td 2H J 9 78 | 25 25 t 2H J 77 | 18 17 m 2H | 17 16 pd 2H J 11 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)c1cccnc1C(=O)O
ir: 2 23 35 5 3 6 8 7 29 17 15 12 21 19 14 21 46 25 17 67 78 17 13 6 2 8 8 4 2 6 6 4 3 7 5 2 6 11 11 31 64 15 16 22 28 9 6 2 4 6 4 0 3 7 4 1 4 7 4 6 9 11 20 22 36 16 3 2 6 10 9 3 8 9 7 11 43 17 40 62 50 26 29 24 18 23 18 4 8 7 3 3 7 5 1 3 6 5 1 4 7 5 4 8 8 7 3 6 14 21 13 41 28 7 3 5 9 6 7 10 12 6 0 6 7 3 2 100 37 7 4 4 7 4 2 6 8 5 14 17 23 11 2 37 35 5 35 47 6 2 2 6 5 0 46 25 21 7 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 6 3 1 3 6 3 0 3 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 5 4 2 2 5 5 2 2 5 4 2 3 6 4 1 3 6 5 7 9 8 4 1 4 8 5 14 8 53 18 15 21 11 7 3 4 6 3 2 26 52 16 5 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 88 88 dd 1H J 20 42 | 83 83 dd 1H J 22 84 | 75 74 dd 1H J 42 86 | 35 34 q 2H J 92 | 14 13 t 3H J 91
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2=NN(C3CCN(C(=O)c4cccc(Cl)c4)CC3)C(=O)C2(C)C)cc1OC
ir: 2 4 2 5 5 4 4 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 3 4 6 3 2 1 2 2 3 2 3 9 16 17 8 43 9 5 3 1 1 4 7 3 4 11 16 4 1 1 1 2 13 5 4 3 2 1 3 1 4 4 10 5 10 11 10 2 4 1 2 3 4 4 1 1 1 1 1 0 1 2 3 2 2 4 5 3 4 6 3 4 8 2 1 2 1 1 0 1 2 2 0 0 3 2 2 1 2 3 12 6 2 6 2 3 2 5 10 16 6 5 5 14 9 7 6 7 10 4 4 8 17 7 8 2 2 9 4 4 14 4 4 5 4 16 5 7 13 100 18 6 1 4 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 4 1 2 2 2 2 2 3 3 3 9 11 31 76 17 14 6 4 3 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 t 1H J 21 | 77 76 dddd 2H J 13 22 83 91 | 75 75 t 1H J 82 | 73 73 dd 1H J 20 79 | 70 70 dd 2H J 29 50 | 49 48 p 1H J 56 | 39 38 d 6H J 88 | 37 36 ddd 2H J 48 75 122 | 36 35 ddd 2H J 49 75 122 | 23 22 dddd 2H J 48 57 75 121 | 21 20 dddd 2H J 48 57 75 121 | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(C=Nc2c3c(nc4ccccc24)CCCC3)cc1
ir: 2 2 3 2 2 3 6 3 3 3 3 2 5 15 2 7 4 2 2 2 2 2 5 8 4 20 3 9 6 2 4 3 4 17 12 5 5 6 5 4 8 3 5 13 66 4 6 2 4 26 4 4 8 8 9 14 20 16 6 5 2 1 5 11 4 1 2 8 2 12 5 6 2 3 2 13 12 3 2 2 2 2 11 4 2 2 5 3 3 3 3 3 3 2 3 2 5 6 4 2 3 3 8 4 3 2 4 15 4 9 5 3 2 3 5 6 8 6 6 7 5 22 8 12 3 5 13 6 5 8 5 4 3 2 2 2 3 11 2 3 5 2 7 48 7 36 7 58 59 24 4 12 4 29 10 16 3 3 12 2 2 3 11 1 7 6 2 1 2 3 2 1 2 3 2 1 2 3 1 0 2 7 31 6 1 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 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 3 5 6 3 3 4 3 3 2 5 18 8 21 34 100 23 16 8 5 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 86 86 s 1H | 82 81 dq 3H J 15 80 | 80 79 m 3H | 78 77 td 1H J 13 72 | 75 74 ddd 1H J 13 69 82 | 29 28 m 2H | 27 27 m 2H | 20 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCF)C(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cn2)cc1
ir: 5 4 8 5 1 3 8 5 2 3 4 3 5 3 3 6 6 7 5 1 1 2 2 1 2 1 3 3 3 8 18 15 2 5 4 4 5 4 3 5 6 3 10 10 10 5 4 0 3 13 13 6 4 4 5 8 21 21 13 7 8 3 3 4 4 4 5 1 5 12 4 6 7 2 3 5 4 5 4 3 3 10 5 5 6 5 11 12 13 14 9 3 19 5 6 9 14 23 4 5 7 71 15 9 4 31 6 2 2 4 3 9 12 5 5 6 3 4 9 7 4 10 4 8 10 26 11 3 14 5 3 5 13 10 4 3 3 2 1 4 5 6 7 10 3 12 9 4 4 6 12 37 19 11 5 1 2 1 1 2 1 27 2 1 1 1 1 4 1 1 1 1 1 3 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 4 4 3 3 4 5 3 5 3 3 5 10 8 20 12 24 41 69 53 57 100 24 8 8 4 4 3 2 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 d 1H J 19 | 78 78 s 1H | 76 75 m 2H | 74 74 dd 1H J 19 78 | 73 72 m 3H | 48 47 t 1H J 49 | 47 46 t 1H J 49 | 37 37 s 3H | 36 34 m 2H | 29 29 s 2H | 28 27 m 1H | 25 24 ddd 1H J 67 77 93 | 17 16 td 1H J 68 79 | 14 13 td 1H J 68 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C=NOCCCOc2ccc(CO)cc2)cc1
ir: 1 1 4 2 2 2 3 2 2 4 3 4 3 3 3 3 5 11 14 9 8 5 5 1 1 2 2 1 0 1 1 1 1 2 3 2 5 5 2 2 1 1 1 0 1 2 2 3 5 9 6 8 25 24 19 23 10 4 2 1 2 8 8 4 3 5 3 14 2 9 5 6 6 4 2 2 2 4 1 3 5 3 3 5 19 16 21 25 21 8 8 4 9 3 3 2 15 8 4 2 2 1 2 2 3 1 1 2 3 10 3 4 7 4 4 3 2 2 2 2 7 4 3 7 13 8 5 2 4 4 2 4 8 2 1 1 1 1 1 1 1 1 1 3 3 14 4 7 15 8 6 12 7 5 7 3 2 1 1 1 1 7 2 2 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 3 3 4 3 2 4 3 3 2 5 13 13 10 37 100 32 6 6 5 3 5 8 35 27 13 2 1 2 2 1 0 2 2 1 0 1 2 0 0 2 2 2 2 3 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 s 1H | 76 75 m 2H | 74 74 m 2H | 72 72 dt 2H J 9 88 | 69 68 m 2H | 46 45 dt 2H J 9 57 | 42 41 m 5H | 25 25 t 1H J 57 | 22 21 tt 2H J 60 68 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CCNc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
ir: 1 0 1 1 0 1 3 1 2 2 3 5 2 10 5 3 6 13 3 3 6 3 3 6 7 3 1 3 3 2 3 2 1 2 1 1 1 1 1 1 1 3 12 4 3 2 2 4 2 4 2 2 2 12 9 1 2 1 1 0 2 1 1 1 1 1 1 1 1 1 0 1 1 2 0 0 1 2 1 1 1 1 1 2 1 1 1 1 1 1 4 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 7 1 0 1 0 0 0 1 1 1 1 0 0 1 1 1 1 4 1 0 2 3 1 1 1 1 0 1 0 1 2 2 14 11 4 1 0 0 3 1 5 13 2 3 2 4 2 4 63 5 8 29 100 53 14 30 2 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 3 4 2 1 1 1 1 1 0 0 0 1 0 0 1 1 1 1 12 60 5 4 1 1 1 2 9 13 3 8 5 31 71 11 7 1 2 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; 1HNMR: 78 77 t 1H J 11 | 75 75 m 4H | 73 72 s 2H | 66 65 t 1H J 46 | 65 65 s 2H | 37 36 td 2H J 46 68 | 28 27 t 2H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(c1c(F)ccc(F)c1Cl)N1C(=O)CNc2ncc(I)cc21
ir: 21 12 11 6 2 3 3 4 5 5 8 60 0 4 4 3 3 6 3 10 7 7 2 2 1 2 3 5 26 12 33 11 8 6 4 3 7 13 12 26 6 5 4 2 3 2 2 2 4 2 3 5 5 0 14 2 2 2 1 1 1 1 1 1 1 4 4 5 3 11 4 2 10 3 1 1 3 3 1 1 1 1 1 1 4 4 2 1 1 3 3 3 9 5 2 5 2 1 1 2 30 5 1 2 2 1 2 3 14 14 0 2 5 2 4 5 2 3 7 7 9 9 3 2 2 2 1 3 4 5 4 13 6 2 0 2 3 3 2 7 32 14 55 28 11 17 6 2 89 3 2 7 3 1 1 6 2 1 3 3 1 1 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 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 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 3 2 1 1 1 1 1 3 1 1 1 2 2 4 4 4 9 17 15 8 4 6 4 2 1 1 1 2 1 1 1 1 1 1 1 1 1 8 14 8 9 9 9 28 100 7 9 7 4 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 82 d 1H J 18 | 81 80 d 1H J 18 | 72 71 m 2H | 69 69 t 1H J 47 | 61 60 qd 1H J 46 73 | 43 42 m 2H | 17 16 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@H](Cc1ccccc1O)C(=O)O
ir: 2 2 2 4 8 1 3 2 2 2 2 2 2 4 4 9 7 2 1 3 4 7 18 20 3 2 2 3 2 2 1 1 1 2 1 2 2 4 3 3 2 1 7 7 3 1 1 2 1 1 1 2 2 1 1 2 3 2 3 6 5 20 24 2 2 1 2 4 8 10 11 5 1 0 2 9 23 5 27 17 10 7 29 25 12 11 6 4 2 3 2 2 3 2 3 1 1 2 1 1 1 2 3 3 2 1 1 2 2 1 1 1 1 1 1 5 10 9 1 1 2 2 2 2 3 1 2 2 4 4 8 5 15 100 19 1 2 6 6 1 2 2 5 3 15 3 3 2 9 5 2 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 3 2 3 7 17 23 2 1 2 2 1 11 42 27 17 2 1 2 6 19 8 3 2 2 2 7 13 48 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 s 1H | 72 72 d 2H J 66 | 71 70 m 2H | 69 69 td 1H J 13 80 | 68 67 dd 1H J 15 81 | 62 61 s 1H | 38 37 p 1H J 66 | 32 31 ddd 1H J 9 67 161 | 29 28 ddd 1H J 8 66 161
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CN1CCC(c2ccc(F)cc2)C1=O)Nc1ccc(C(F)(F)F)cn1
ir: 3 7 5 8 2 4 8 4 2 3 9 6 6 6 4 5 16 9 13 8 11 7 6 6 31 4 5 5 2 4 10 1 5 16 18 20 29 33 27 29 18 16 32 30 21 9 5 1 6 15 12 5 28 37 58 100 19 10 10 3 3 2 3 2 3 6 64 5 2 8 6 16 7 4 3 3 3 3 2 3 2 3 4 8 4 6 8 4 10 6 10 5 12 10 3 5 11 10 86 92 13 5 2 3 2 2 3 3 2 5 7 11 92 18 13 5 5 5 5 13 12 6 6 12 12 14 8 7 10 7 9 11 5 3 2 4 4 2 3 2 3 2 4 3 6 10 24 72 86 65 49 72 26 16 8 8 5 2 4 6 9 62 8 6 3 0 2 4 2 1 2 4 2 0 2 3 2 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 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 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 3 3 3 3 4 5 4 5 6 7 6 7 17 19 30 57 22 26 8 11 5 3 2 2 3 2 2 1 2 2 2 3 3 4 9 3 7 9 7 34 30 63 34 10 3 3 3 3 2 2 2 2 3 2 1 2 2 2 1 2 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 2 2 2 1 1 2 2 1 2 2; 1HNMR: 97 97 s 1H | 87 86 dq 1H J 13 25 | 82 82 ddt 1H J 14 31 71 | 73 73 m 3H | 71 70 ddt 2H J 17 88 101 | 41 41 d 1H J 143 | 41 40 d 1H J 141 | 35 35 m 2H | 34 34 ddd 1H J 54 72 122 | 22 21 dddd 1H J 44 53 71 126 | 20 19 dddd 1H J 45 53 71 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(CNC(=O)c2ccc(Oc3cccc(-c4ccncc4)c3C#N)c(Cl)c2)c(O)n1
ir: 1 5 10 7 3 5 15 25 5 7 9 8 6 7 4 17 22 13 19 18 40 92 19 13 15 16 14 6 11 6 13 12 4 20 25 37 18 21 28 38 27 34 13 9 41 20 10 4 14 26 6 2 8 9 22 4 16 18 22 11 3 6 5 15 7 10 12 8 25 24 20 38 89 29 19 25 27 27 13 4 9 10 7 2 7 8 5 2 5 4 2 2 6 4 0 2 5 4 1 2 16 9 0 2 7 6 9 12 7 4 8 23 9 5 1 4 6 9 11 19 36 28 10 11 9 11 10 6 11 3 4 6 12 13 37 23 9 6 10 27 91 7 7 30 21 56 19 57 19 60 27 32 12 2 9 41 6 11 47 27 7 14 12 4 2 1 2 5 2 0 2 4 3 0 3 4 2 0 3 5 2 3 21 4 2 1 3 4 1 1 3 3 1 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 0 3 4 2 0 3 4 2 2 3 4 2 2 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 3 5 4 1 2 4 3 1 4 5 3 2 3 5 5 7 13 8 33 100 50 17 11 8 6 6 4 2 15 37 73 9 10 4 2 2 3 5 3 5 6 7 14 17 56 15 7 3 4 5 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 0 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 86 86 m 2H | 80 80 d 1H J 22 | 78 77 m 2H | 76 75 m 3H | 75 75 t 1H J 78 | 71 70 d 1H J 82 | 70 70 dd 1H J 13 77 | 64 63 m 1H | 47 47 d 2H J 70 | 24 24 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(Cn2c(NC3CCN(CCOc4nccs4)CC3)nc3ccccc32)cc1
ir: 14 9 8 4 4 3 5 5 6 7 10 5 4 3 7 3 2 1 1 1 2 1 1 2 2 3 7 6 4 1 2 3 2 4 3 4 5 12 9 5 10 6 28 15 10 5 4 7 20 11 6 11 13 15 29 17 15 12 4 7 4 7 4 6 3 2 3 4 9 12 29 2 5 8 25 18 12 5 4 9 20 12 4 3 9 22 13 7 15 4 2 2 2 3 7 5 17 13 12 4 6 13 8 14 22 17 3 19 60 11 10 19 9 9 16 6 4 6 6 7 9 12 13 20 16 7 16 5 19 22 7 7 4 2 1 2 2 3 2 3 2 2 2 4 5 9 20 62 18 2 7 14 4 3 2 1 1 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 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 1 1 2 1 1 1 2 2 2 2 2 3 2 3 5 5 4 7 16 8 11 10 9 9 10 13 20 74 23 54 100 55 40 10 5 6 6 2 0 1 3 1 1 2 2 1 2 2 2 1 1 2 7 17 7 13 13 5 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; 1HNMR: 76 75 m 2H | 74 73 m 2H | 73 72 m 3H | 72 72 d 1H J 44 | 71 70 m 2H | 55 54 d 2H J 9 | 49 48 d 1H J 60 | 43 42 t 2H J 66 | 40 39 dp 1H J 42 60 | 30 29 t 2H J 65 | 29 28 ddd 2H J 55 82 128 | 28 27 ddd 2H J 55 82 126 | 21 20 dddd 2H J 42 55 82 126 | 19 18 dddd 2H J 42 56 82 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)ccc1OCC(=O)C(C)(C)C
ir: 4 6 7 4 16 5 2 3 3 4 3 2 2 4 9 15 8 4 5 24 5 3 4 3 6 3 26 6 4 3 10 4 11 32 10 11 17 5 4 3 3 4 6 56 8 2 3 5 3 0 3 9 14 76 99 36 14 16 8 4 7 18 50 7 11 17 8 18 38 13 5 8 7 6 4 3 5 3 4 3 4 13 9 6 15 63 20 19 3 4 3 4 4 5 8 6 8 4 7 16 16 6 3 4 4 2 4 4 10 5 3 4 3 5 5 8 8 4 7 20 20 20 19 23 17 34 48 12 8 17 34 33 14 7 4 4 6 3 3 6 14 16 73 36 5 9 6 2 7 24 8 7 43 7 2 3 3 3 4 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 3 2 2 2 3 5 4 9 6 7 6 5 10 4 8 5 4 5 12 15 37 46 24 16 100 41 20 10 4 3 4 3 4 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 72 72 m 1H | 72 71 dd 1H J 22 86 | 69 68 d 1H J 87 | 49 48 s 2H | 22 22 s 4H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1-c1ccc2c(c1)[C@@](N)(C1CCCCC1)C(=O)N2
ir: 4 4 1 1 3 3 2 4 5 4 29 3 5 3 2 2 3 2 3 2 2 2 1 6 3 1 2 1 1 1 3 6 3 38 2 1 2 6 4 2 1 0 1 1 1 0 1 1 1 1 2 3 2 13 13 6 3 0 4 7 100 8 10 28 11 3 4 5 3 5 4 3 2 2 2 2 1 2 3 3 1 3 8 15 17 6 8 3 1 1 1 1 2 4 3 4 1 1 1 1 2 22 9 4 9 3 2 1 2 6 2 7 4 2 5 6 6 3 4 3 4 5 6 3 3 2 5 4 17 26 14 6 2 12 30 6 4 1 3 1 2 2 1 6 7 1 2 4 3 3 4 1 1 3 3 0 8 49 2 4 2 0 1 8 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 2 2 2 2 1 2 3 7 14 3 3 38 6 3 2 2 2 1 2 3 1 2 1 3 15 9 13 11 8 1 4 13 4 40 46 30 27 7 0 1 5 2 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 s 1H | 75 74 dd 1H J 22 75 | 74 74 d 1H J 21 | 73 73 d 1H J 75 | 26 25 d 5H J 92 | 25 24 p 1H J 57 | 24 24 s 3H | 20 19 ddt 2H J 56 80 137 | 17 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(=O)Nc1c[nH]c2ncc(C(F)(F)F)c(Cl)c12
ir: 12 4 4 2 1 2 2 3 2 2 2 2 2 2 6 3 20 9 32 11 3 4 5 10 12 5 2 2 3 3 44 2 5 3 2 2 2 2 5 15 4 9 37 3 3 2 3 8 4 48 100 1 7 6 6 2 12 74 38 5 2 2 2 3 2 4 8 35 8 10 3 3 9 3 24 1 2 3 2 2 2 2 1 2 2 2 2 2 5 9 2 2 2 2 1 4 5 3 29 48 0 12 17 3 14 2 2 2 2 2 1 2 3 2 1 5 9 20 4 5 6 8 83 5 4 4 4 3 2 2 2 3 4 3 10 2 1 2 2 2 2 12 18 4 2 3 5 14 8 3 5 2 2 6 16 69 8 17 40 37 15 2 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 3 2 2 3 2 5 5 3 3 4 4 4 11 15 8 2 3 3 2 2 2 2 3 2 2 3 2 2 3 12 8 3 12 53 11 36 65 4 4 4 7 2 3 4 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 97 97 d 1H J 66 | 89 89 s 1H | 85 85 q 1H J 24 | 79 78 d 1H J 66 | 42 42 s 2H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1
ir: 0 1 1 2 0 1 2 1 0 1 1 2 1 2 6 1 1 1 2 2 1 1 1 0 1 2 3 1 2 2 7 2 12 9 9 12 10 9 9 15 31 26 6 20 11 62 59 29 6 28 9 30 12 15 4 42 23 28 9 7 2 7 6 6 5 4 2 5 9 35 3 1 2 3 2 3 7 5 10 7 3 2 1 2 1 1 1 1 2 2 1 1 2 1 1 2 2 2 1 1 2 1 12 4 2 2 2 4 6 24 65 25 5 10 10 13 10 8 7 10 7 4 5 5 9 9 4 1 2 2 3 4 18 27 14 10 1 2 2 2 3 9 10 58 8 6 9 9 2 14 10 2 31 6 3 2 1 1 1 5 1 2 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 1 1 1 1 0 1 0 0 1 1 1 0 0 0 1 1 0 1 1 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 1 1 1 0 1 1 1 1 2 1 3 2 5 2 2 1 1 2 4 4 10 16 4 48 100 26 10 11 2 6 5 2 1 2 2 1 1 1 2 2 1 5 14 36 80 14 15 6 3 2 1 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 75 74 m 2H | 74 74 m 5H | 74 73 m 2H | 74 73 m 2H | 73 72 m 1H | 70 69 m 2H | 40 40 t 2H J 42 | 38 37 t 2H J 33 | 32 32 t 2H J 33 | 29 28 q 2H J 44 | 26 26 d 3H J 48 | 25 24 h 1H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nnc(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)[nH]1
ir: 0 1 1 1 1 1 1 1 0 2 9 6 2 2 1 1 0 3 11 3 2 1 4 2 1 1 1 1 0 1 2 5 1 2 2 4 2 6 2 5 23 24 15 6 19 22 8 8 2 2 1 2 2 7 33 25 3 1 2 5 2 2 4 1 1 1 1 6 2 4 2 3 3 3 2 1 1 1 1 1 3 3 2 1 1 5 3 15 3 2 2 2 1 1 1 1 1 1 2 4 6 5 1 1 1 3 2 3 3 1 1 1 11 5 2 1 2 2 1 3 5 7 4 6 5 3 7 5 2 1 0 2 3 1 0 5 3 1 55 2 16 3 7 11 8 100 35 12 31 20 10 15 17 7 4 0 2 2 2 1 2 1 1 0 0 1 1 0 1 1 1 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 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 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 1 2 2 2 3 3 3 4 5 4 9 10 13 24 62 56 24 49 10 16 3 2 3 1 0 1 1 1 0 1 1 1 0 1 1 1 7 6 22 26 13 24 16 5 2 1 1 1 1 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 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 0 0 0 0 1 0 0; 1HNMR: 91 91 s 1H | 87 86 dd 1H J 15 84 | 77 76 m 2H | 76 75 m 2H | 75 74 m 2H | 71 70 ddd 1H J 16 66 82 | 47 47 s 2H | 32 31 hept 1H J 60 | 15 14 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=C1CC(C(=O)OCC)C(C(=O)OCC)C1
ir: 5 4 2 2 1 2 2 2 3 4 1 5 2 2 0 1 2 2 1 1 1 1 0 1 2 1 1 1 1 0 2 2 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 3 1 1 1 1 3 2 6 3 1 1 1 1 1 1 2 4 2 5 6 1 1 2 1 1 1 1 0 1 0 0 1 0 0 1 1 2 2 2 2 4 3 4 12 10 9 5 8 6 23 7 4 4 3 6 3 3 4 2 3 3 4 6 2 2 1 1 1 2 7 2 2 3 7 2 3 5 5 4 3 2 1 1 2 1 0 2 7 100 8 8 0 0 1 1 0 0 1 1 0 1 2 1 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 0 0 0 0 0 0 0 0 1 1 1 2 2 2 1 5 3 4 1 2 2 3 9 4 5 13 3 8 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 54 53 qp 1H J 9 52 | 42 40 m 4H | 31 30 m 2H | 26 25 dddt 2H J 10 20 40 154 | 24 23 dddt 2H J 10 20 50 145 | 16 16 dp 3H J 11 53 | 13 12 t 6H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nc(N)ncc2cc1-c1ccccc1C
ir: 6 5 6 3 6 4 10 3 5 7 4 4 4 3 3 5 1 2 3 3 3 5 11 8 10 17 10 9 14 10 3 6 10 11 9 4 3 6 6 5 5 1 51 5 3 7 19 31 15 10 2 3 2 2 7 11 6 3 1 1 2 2 2 2 2 5 2 31 29 11 5 6 4 2 2 4 2 2 1 1 1 2 1 1 2 2 1 1 1 10 2 2 2 1 2 13 2 1 1 1 1 1 2 2 6 1 1 9 3 2 1 1 1 1 2 1 1 2 2 2 2 4 1 2 3 1 1 2 2 5 2 2 2 2 2 4 9 4 2 5 4 4 4 8 76 15 19 15 7 29 3 6 44 16 3 3 5 2 2 4 2 2 1 1 1 1 1 13 23 0 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 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 2 1 4 4 5 14 32 2 3 2 2 1 1 1 1 1 1 1 1 2 1 2 2 10 7 2 2 2 2 1 1 1 1 1 3 41 100 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 93 d 1H J 18 | 81 81 d 1H J 18 | 77 77 dd 1H J 13 77 | 74 73 m 3H | 73 72 td 1H J 13 75 | 62 62 s 2H | 40 40 s 3H | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCC(CCC(=O)c2ccc3c(c2)CCO3)CC1
ir: 5 7 9 5 5 5 3 7 3 7 13 10 7 5 5 10 5 5 8 4 9 13 13 21 18 14 11 12 10 21 8 4 14 12 14 6 31 42 16 3 14 13 17 17 7 6 5 10 9 3 12 6 7 4 21 17 7 1 7 4 3 2 3 5 6 8 12 4 9 38 17 7 5 5 5 2 2 2 2 2 1 1 1 1 3 4 5 11 13 4 5 8 12 6 4 11 4 5 2 2 2 4 2 3 3 3 12 18 26 19 12 12 11 23 20 26 9 8 9 23 17 18 19 12 23 27 11 12 9 12 5 21 16 38 9 24 49 15 24 20 29 13 44 100 30 10 30 33 11 9 16 21 16 3 3 2 2 1 1 2 2 1 3 7 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 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 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 2 2 4 2 2 10 7 14 8 10 6 10 6 9 14 14 56 26 28 34 59 25 9 3 3 3 2 1 1 2 1 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 78 77 d 2H J 81 | 69 68 m 1H | 45 44 t 2H J 42 | 36 35 m 4H | 32 31 td 2H J 8 42 | 30 29 t 2H J 85 | 21 21 s 2H | 19 18 m 2H | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)C=CC(NCc2ccccc2)C1
ir: 6 3 4 7 9 4 1 5 16 22 2 3 5 7 13 2 2 1 0 2 6 2 1 5 5 4 7 8 9 17 19 67 29 22 6 3 4 6 12 48 29 16 16 19 25 8 13 10 4 6 3 5 16 20 38 13 7 1 5 13 15 13 14 8 21 57 52 2 8 6 4 3 6 11 13 15 8 3 4 3 2 3 4 47 31 44 13 16 18 7 9 4 3 3 8 8 8 10 8 13 4 4 4 3 3 3 11 18 15 24 17 46 8 7 4 6 4 15 13 4 1 5 6 5 1 8 13 3 5 11 6 21 55 100 68 58 10 13 9 3 3 2 12 31 22 4 4 7 5 6 6 7 6 3 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 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 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 2 7 9 10 5 2 2 3 5 7 22 59 53 38 33 73 40 17 10 2 3 3 5 4 2 2 3 3 2 2 3 3 9 62 51 86 41 11 6 6 3 1 2 2 1 1 2 1 1 1 2 1 0 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 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 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 74 73 m 2H | 73 72 m 1H | 72 72 m 2H | 66 65 m 2H | 40 38 m 2H | 38 37 ddt 1H J 10 51 138 | 36 35 ddt 1H J 9 66 128 | 34 33 dt 1H J 52 75 | 33 33 ddt 1H J 9 66 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CCC(C(=O)O)N2C(=O)CCS
ir: 2 1 2 2 2 2 2 2 2 2 3 3 3 3 2 2 2 4 2 2 5 16 20 3 3 3 2 2 2 3 5 2 2 2 2 2 2 2 4 3 2 2 3 2 3 3 3 2 2 3 1 2 1 2 3 3 3 3 2 1 2 2 1 2 3 3 3 3 4 2 2 2 2 1 2 2 2 2 8 8 4 2 2 2 2 2 2 3 3 2 2 2 3 2 1 2 3 2 1 1 2 2 2 2 2 2 2 2 3 2 2 2 3 4 3 3 3 4 5 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 1 2 2 2 2 2 9 16 4 1 3 14 13 5 5 2 2 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 3 2 2 2 2 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 2 2 1 2 2 2 2 2 3 2 2 2 6 5 2 3 4 5 2 2 4 2 1 3 11 80 100 9 0 2 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 70 69 d 1H J 87 | 68 67 dd 1H J 22 88 | 66 66 dt 1H J 8 19 | 45 44 t 1H J 68 | 38 38 s 2H | 31 30 dddd 1H J 7 57 83 139 | 30 29 dddd 1H J 9 59 84 147 | 28 27 m 2H | 27 26 m 2H | 24 23 dddd 1H J 58 69 84 126 | 22 21 dddd 1H J 57 68 84 127 | 19 19 t 1H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N(Cc2cccc(-c3ccccc3)c2)CC(F)(F)F)cc1C(F)(F)F
ir: 3 4 4 2 1 2 4 2 2 2 3 3 1 2 3 3 1 2 3 1 1 2 2 2 1 4 3 2 2 2 11 3 2 4 3 3 2 4 8 1 3 23 4 1 1 2 5 2 4 4 3 1 2 4 2 10 3 3 1 0 1 2 2 0 1 3 3 13 9 4 5 1 2 5 6 2 2 2 2 1 2 2 2 4 7 8 3 5 4 5 9 3 3 4 0 5 3 3 1 17 3 28 4 3 7 7 24 3 3 2 0 1 2 1 1 2 4 3 5 3 5 4 1 2 3 3 5 5 3 4 3 2 2 2 2 11 2 1 2 2 13 3 4 13 7 1 1 2 3 2 22 9 4 2 3 3 1 1 1 2 1 1 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 5 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 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 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 2 1 2 3 2 1 1 3 4 1 2 7 14 100 17 5 2 3 3 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 78 d 1H J 74 | 76 75 m 2H | 75 73 m 6H | 73 73 ddq 1H J 10 22 80 | 71 71 dq 1H J 9 20 | 68 68 dd 1H J 21 74 | 47 47 d 2H J 10 | 41 40 q 2H J 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1c[nH]cn1)c1cccnc1F
ir: 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 3 5 2 1 1 1 1 1 1 1 1 1 2 3 12 11 1 1 1 1 1 1 4 7 11 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 3 100 93 14 3 0 1 2 1 1 1 4 4 6 10 9 10 2 2 1 1 1 1 2 7 1 2 2 23 34 6 5 0 18 11 4 24 28 26 8 2 2 5 18 35 37 22 3 2 2 1 2 2 1 4 5 17 17 2 3 2 2 2 3 4 4 7 3 2 1 1 1 1 1 1 1 2 2 2 2 2 5 34 24 13 4 3 3 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 11 8 1 1 1 2 1 1 1 21 16 1 1 1 1 1 1 6 15 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 2 1 1 1 2 2 2 2 9 19 17 7 25 19 30 12 7 2 2 2 2 2 4 33 18 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 ddd 1H J 20 37 56 | 81 81 ddd 1H J 21 38 88 | 79 79 dd 1H J 17 60 | 78 77 dd 1H J 17 52 | 76 75 dd 1H J 54 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(Br)cc2)c(C)c1
ir: 1 1 2 1 1 1 2 2 5 2 1 5 2 16 4 4 1 3 2 1 2 3 6 6 17 4 2 2 3 4 3 3 9 3 10 4 9 11 16 29 25 8 4 10 2 2 4 4 2 1 3 10 47 2 59 4 2 2 4 1 2 4 4 16 3 4 5 3 2 5 2 1 7 2 2 2 2 5 2 1 4 2 3 100 6 4 3 2 17 6 3 4 2 1 0 0 2 3 9 4 6 2 1 3 10 29 3 5 4 1 1 2 2 1 1 2 1 2 1 3 2 3 2 12 1 11 4 1 3 3 3 5 2 1 2 2 4 22 2 1 2 1 4 12 4 15 4 2 6 2 5 2 8 3 6 47 19 7 6 2 2 1 3 3 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 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 6 5 5 20 41 13 7 5 5 3 2 2 2 1 1 2 1 2 3 1 1 6 6 6 3 5 7 14 38 19 16 5 2 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 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 1 0 1 1 1 0 1 1; 1HNMR: 83 83 s 1H | 82 81 d 1H J 90 | 80 79 m 4H | 71 71 dq 1H J 8 90 | 68 68 s 2H | 25 24 d 3H J 7 | 23 23 s 3H | 22 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.