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COC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nn1
ir: 10 12 11 19 17 21 18 13 13 8 8 8 8 10 8 14 10 9 11 11 28 9 10 9 9 8 8 9 8 9 11 9 14 39 14 17 11 7 7 13 12 0 58 8 7 10 9 7 8 9 8 7 9 11 30 13 12 8 8 8 8 9 9 8 9 8 8 9 50 13 10 9 8 8 8 11 10 9 9 10 12 10 8 7 8 8 8 8 8 8 9 14 10 9 8 8 8 9 9 8 7 9 31 10 9 8 7 8 12 9 9 8 9 14 8 9 9 8 11 18 14 13 38 11 13 9 7 11 18 10 16 21 10 9 10 27 9 8 8 10 12 55 21 79 32 18 13 8 11 26 11 38 11 10 8 8 9 8 12 9 8 13 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 8 8 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 7 8 7 8 8 8 7 8 7 8 9 8 8 8 8 9 9 9 8 9 9 9 11 15 15 14 32 100 41 15 9 9 10 9 9 8 8 8 8 7 8 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 82 81 d 1H J 82 | 76 75 m 2H | 75 74 ddd 2H J 10 73 81 | 74 73 m 1H | 73 72 d 1H J 82 | 56 55 s 2H | 38 38 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)oc(=O)c2ccccc21
ir: 1 5 6 4 13 26 27 25 13 12 6 2 1 2 6 17 8 3 2 2 2 2 2 1 1 4 2 1 2 2 2 1 6 8 3 3 22 5 3 5 3 32 100 12 3 5 2 2 2 2 1 1 1 2 1 1 1 2 2 3 2 2 1 1 1 2 1 1 1 2 8 3 3 4 5 4 2 2 1 1 4 3 2 3 3 3 5 7 3 2 1 1 2 1 1 1 2 2 1 6 3 2 2 3 2 1 2 1 1 3 5 5 8 23 12 4 7 8 6 9 12 5 12 13 9 14 74 12 6 2 1 4 3 7 12 9 3 7 51 5 9 1 1 3 2 2 0 3 6 7 100 5 4 18 20 16 20 7 6 1 5 31 12 9 3 0 1 3 1 0 1 3 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 8 8 6 9 21 43 22 6 2 5 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 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; 1HNMR: 78 77 dd 1H J 16 81 | 77 76 m 1H | 76 75 td 1H J 14 81 | 75 74 dd 1H J 14 75 | 35 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc([N+](=O)[O-])ccc1N=C=S
ir: 13 13 14 19 17 18 21 23 21 17 13 14 12 14 12 15 16 14 13 13 13 13 15 15 18 18 13 13 14 18 13 13 12 14 16 18 16 14 12 14 17 15 17 17 19 14 15 13 16 11 14 14 13 18 65 100 27 21 12 10 12 13 11 10 13 15 11 11 20 15 12 11 12 13 11 10 12 15 12 11 12 14 41 13 12 12 11 13 12 12 11 12 17 23 12 12 15 16 10 14 36 13 11 11 11 11 11 12 13 12 13 21 25 12 12 21 19 15 14 14 14 12 12 26 58 25 17 15 19 13 11 12 12 11 11 11 12 11 11 12 12 12 25 13 12 11 11 12 15 35 33 16 14 35 15 13 12 10 11 16 22 15 18 13 12 9 11 16 12 1 46 0 13 17 11 8 11 13 11 10 11 12 11 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 12 12 13 12 15 17 13 12 11 12 12 14 23 24 34 59 74 45 17 16 19 14 14 13 12 11 12 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11; 1HNMR: 81 80 dt 1H J 9 20 | 79 79 dd 1H J 21 83 | 72 72 d 1H J 82 | 30 30 td 2H J 8 59 | 17 16 qt 2H J 60 75 | 11 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1(C)NC(=O)c2sc(-c3ccncc3)cc2N1
ir: 6 2 3 6 4 8 1 2 2 3 2 4 3 3 2 4 5 5 5 9 3 6 2 2 3 2 9 4 3 2 2 4 6 2 1 2 2 1 1 2 3 4 43 7 4 4 3 2 2 0 1 2 1 0 2 4 1 1 1 1 1 1 1 1 3 12 4 4 8 11 33 22 10 6 5 4 1 1 2 3 1 0 2 2 1 0 1 2 3 2 2 1 0 1 2 2 1 1 2 1 0 2 8 1 1 2 2 7 7 3 6 7 11 4 3 2 1 3 5 2 1 3 4 4 6 2 3 1 1 3 4 3 1 2 2 1 0 2 3 3 2 2 2 2 3 13 14 57 14 13 4 1 2 3 2 2 39 16 65 5 8 4 2 3 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 3 4 5 1 5 4 11 11 6 2 2 2 1 1 1 1 2 2 1 1 2 3 2 2 3 5 4 6 15 100 44 12 7 7 1 1 2 2 1 2 3 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 87 86 m 2H | 78 78 s 1H | 76 75 m 2H | 70 70 s 1H | 58 58 s 1H | 20 20 m 1H | 16 16 d 3H J 14 | 10 9 d 3H J 66 | 9 9 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCc1cnn(C(C(=O)OCC)c2ccccc2)n1
ir: 11 7 7 4 1 2 5 8 6 7 2 2 3 7 15 4 3 1 1 1 1 0 0 1 1 0 1 1 1 1 1 4 4 18 6 12 11 9 5 4 2 5 8 2 4 4 2 3 1 2 1 0 1 1 1 0 1 2 3 2 2 4 3 1 3 9 6 2 3 5 2 1 2 2 3 3 2 1 4 1 1 1 0 0 1 1 1 0 2 4 13 3 5 6 3 2 6 3 15 10 4 3 4 1 2 8 6 5 18 12 3 4 3 8 1 3 2 3 7 11 12 4 5 2 5 6 10 4 1 6 4 4 1 3 5 24 7 3 2 3 6 9 11 14 100 5 2 2 1 1 1 2 10 1 0 1 0 0 0 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 1 0 0 0 1 1 1 1 1 2 1 1 2 6 1 3 3 3 5 7 12 6 11 14 17 18 91 16 6 3 2 1 0 1 2 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 9 | 75 74 dd 2H J 23 70 | 73 73 m 1H | 73 72 m 2H | 58 57 d 1H J 8 | 43 42 m 2H | 27 27 td 2H J 8 80 | 18 17 p 2H J 82 | 14 14 ttd 2H J 7 67 76 | 14 12 m 19H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=Nc2sc(Br)nc2C1
ir: 4 2 1 2 3 3 5 3 8 7 1 2 3 2 1 3 7 24 1 3 3 3 2 6 9 2 1 3 3 2 10 7 5 1 3 5 10 27 5 3 4 1 2 4 3 0 2 8 47 54 4 0 3 3 4 3 4 4 2 3 2 3 4 3 2 2 4 15 6 3 6 4 12 6 18 21 3 1 4 3 2 2 28 29 2 4 9 11 3 2 3 3 2 2 3 3 2 20 7 5 3 2 3 2 2 3 3 3 2 2 3 5 18 10 6 4 5 6 6 3 1 3 3 2 2 3 3 5 6 2 3 5 8 3 3 2 5 13 3 5 6 4 38 19 4 4 4 2 2 3 3 2 2 3 3 2 2 3 2 2 3 100 52 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 2 3 3 5 3 2 3 2 14 19 4 16 10 6 11 15 16 2 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 44 43 q 2H J 71 | 34 34 s 2H | 14 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)Nc1ccsc1
ir: 1 1 1 0 0 0 1 0 0 0 0 1 0 0 1 0 1 9 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 2 0 1 2 0 3 13 2 0 1 1 1 1 2 2 1 2 26 3 22 5 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 2 5 35 6 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 2 2 1 1 1 0 0 1 1 2 3 1 1 5 0 1 1 0 0 0 1 1 0 1 2 25 3 2 7 1 0 1 1 0 1 1 8 25 4 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 1 0 0 0 0 0 0 0 1 0 1 3 3 1 1 2 29 5 11 3 3 2 1 1 0 0 1 1 2 1 1 0 1 1 1 0 1 4 9 100 11 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; 1HNMR: 76 75 t 1H J 17 | 73 73 dd 1H J 17 50 | 72 72 dd 1H J 17 50 | 49 49 s 1H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(CCl)c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl
ir: 16 9 16 20 7 23 31 24 16 15 26 9 14 19 12 6 5 2 4 11 16 10 6 3 2 2 3 1 1 1 3 4 1 2 1 0 1 2 2 1 1 3 9 7 6 4 4 2 1 2 1 1 5 3 1 3 3 6 9 5 1 5 3 4 5 4 5 4 15 20 15 7 6 5 2 8 3 2 1 1 1 2 0 1 3 6 4 1 3 2 3 7 7 8 19 4 5 5 11 11 8 5 5 5 14 11 6 6 5 7 12 11 12 14 10 10 32 7 18 9 27 35 45 39 19 10 5 6 8 17 18 14 15 8 12 13 15 11 8 4 4 3 4 2 1 1 1 1 2 8 45 79 16 13 17 7 3 1 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 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 2 2 4 4 6 6 3 6 9 9 7 5 6 5 11 10 28 100 19 16 50 20 8 5 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 72 d 1H J 10 | 72 71 d 1H J 7 | 47 46 d 2H J 9 | 38 37 ddd 2H J 57 84 123 | 36 35 ddd 2H J 59 85 123 | 31 30 m 1H | 23 23 s 3H | 22 21 ddt 2H J 57 84 126 | 19 18 ddt 2H J 58 86 128 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)N2CCNCC2)cn1
ir: 3 3 4 5 9 4 3 2 3 2 1 2 2 1 1 2 3 2 1 2 2 1 1 3 3 2 4 6 3 2 4 6 3 5 4 8 11 19 35 7 4 5 3 4 3 2 6 5 4 5 19 27 70 15 26 17 20 12 6 3 2 2 3 7 3 4 13 40 5 11 19 7 2 2 2 3 2 1 4 3 1 1 4 3 1 2 3 4 5 24 5 3 2 1 4 2 1 1 2 2 2 2 3 3 2 4 8 4 8 32 69 8 3 13 17 24 11 16 27 25 13 13 14 9 9 5 3 5 7 23 4 2 3 8 24 11 9 25 4 2 2 3 3 2 3 30 13 8 9 9 11 12 5 9 5 4 3 2 2 3 10 64 3 0 1 3 2 0 1 3 1 0 2 3 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 3 1 1 2 2 2 3 2 2 2 2 3 4 3 2 3 3 4 4 5 7 15 7 8 29 8 4 3 2 1 3 3 1 1 2 2 2 2 6 5 6 5 22 100 14 5 4 3 1 1 3 3 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: 87 87 d 1H J 20 | 80 79 dd 1H J 19 81 | 73 73 dd 1H J 9 82 | 36 36 m 4H | 30 30 m 4H | 25 25 d 3H J 7 | 23 22 p 1H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)ccc1OC(F)(F)F
ir: 1 1 1 2 2 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 1 3 31 30 10 1 0 1 1 1 0 1 1 1 3 1 1 2 2 2 4 1 1 1 1 1 1 1 1 1 1 4 3 1 1 1 1 1 1 1 1 1 5 21 5 2 3 13 40 5 100 5 1 9 9 7 2 0 1 1 1 0 1 1 2 2 3 1 1 2 2 2 1 1 1 1 1 1 2 2 1 1 1 1 0 0 1 1 0 1 1 8 7 1 1 1 0 2 3 8 2 7 4 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 5 6 3 6 21 12 11 2 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 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 0 1; 1HNMR: 74 74 dd 1H J 22 82 | 73 73 d 1H J 22 | 71 70 d 1H J 81 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)cc1C(C)(C)O
ir: 4 5 5 5 1 2 2 1 1 1 5 2 1 1 1 1 1 1 4 2 2 1 1 1 0 1 2 1 1 1 0 1 1 1 1 1 1 2 6 2 1 0 0 1 0 0 1 1 1 1 1 1 1 2 26 7 2 3 2 3 3 10 5 9 6 7 11 32 4 1 2 2 3 3 3 31 30 6 14 29 27 10 2 2 2 2 4 5 2 1 6 7 11 7 3 3 3 2 2 5 7 5 4 14 9 2 2 2 6 6 10 2 1 1 0 1 1 1 1 3 3 3 5 5 3 1 0 2 6 10 12 13 5 2 1 1 1 1 1 1 2 2 6 12 9 1 0 1 4 14 10 2 1 2 3 3 2 2 1 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 1 0 2 1 2 1 2 1 1 1 1 1 1 1 2 3 4 16 6 26 51 17 10 8 1 5 16 23 100 7 3 5 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 1H | 73 72 s 1H | 68 68 dt 1H J 11 82 | 53 53 s 1H | 38 38 s 3H | 16 16 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1=Cc2cc(Cl)c(Oc3ccc(Cl)cc3Cl)cc2OC1C(F)(F)F
ir: 2 5 2 1 8 2 5 5 5 3 2 2 3 7 7 15 5 2 2 3 7 8 100 39 20 2 3 3 4 3 2 2 2 3 2 2 3 1 1 5 2 2 6 31 10 1 1 3 2 1 1 2 2 1 10 15 3 3 3 2 1 1 1 2 2 29 45 20 4 47 11 6 2 1 2 3 1 2 18 43 11 6 3 4 1 10 10 2 2 3 2 1 2 3 13 3 2 3 2 11 72 5 25 2 0 1 2 2 2 3 2 1 1 2 5 4 3 8 5 2 5 4 8 2 1 27 4 9 3 2 1 1 1 1 1 1 1 2 4 2 3 5 1 1 1 2 8 9 36 23 15 5 10 2 1 1 6 6 2 1 1 1 1 1 9 1 1 1 1 1 1 1 1 1 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 2 1 2 1 2 2 2 3 2 2 9 33 78 21 1 4 3 1 0 2 3 2 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 19 | 77 77 s 1H | 75 74 d 1H J 20 | 73 72 dd 1H J 20 88 | 70 69 d 1H J 88 | 67 66 s 1H | 57 56 qd 1H J 18 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(C(=O)O)C(=O)c1nc(Cl)c2cc(Sc3ccccc3)ccc2c1O
ir: 1 2 2 2 2 3 2 2 1 2 2 2 6 8 7 4 1 8 5 17 70 6 3 3 5 4 3 7 5 10 28 25 18 8 3 4 4 5 4 5 13 2 1 2 1 1 1 4 1 2 4 1 1 1 1 0 10 16 2 0 1 1 1 1 2 3 11 54 19 1 3 24 26 11 2 5 9 38 20 11 34 12 7 3 9 5 4 1 4 2 0 1 1 3 5 4 2 2 1 2 2 2 1 4 11 14 9 3 1 1 1 1 1 1 5 5 1 2 8 21 1 12 9 4 0 2 6 19 1 2 2 2 8 11 100 24 5 8 5 2 2 4 15 11 6 0 1 18 2 1 15 9 1 1 0 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 4 4 17 34 9 6 15 15 14 7 3 1 18 55 4 5 5 4 9 9 5 14 9 2 1 8 13 1 4 4 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1; 1HNMR: 81 81 d 1H J 73 | 79 79 d 1H J 20 | 74 73 m 3H | 73 73 m 2H | 72 72 m 1H | 50 50 d 2H J 70 | 46 45 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cccc(-c2nc(Cl)cc(C3CC3)n2)c1
ir: 2 1 1 3 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 3 1 2 2 1 3 14 100 10 3 0 1 4 3 4 27 1 2 2 3 2 1 0 1 3 2 2 16 3 2 1 1 1 1 1 1 2 2 2 3 2 1 1 2 1 1 4 3 2 1 2 2 2 4 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 3 2 1 1 1 2 1 1 1 2 4 4 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 10 37 7 3 2 4 12 3 6 13 2 2 2 1 3 3 7 17 20 7 2 1 1 5 5 1 1 2 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 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 2 1 1 1 2 1 6 3 2 3 3 11 18 10 4 4 4 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 ddd 1H J 15 22 93 | 78 78 t 1H J 21 | 74 73 m 2H | 70 70 d 1H J 7 | 22 22 m 1H | 13 12 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCNCCCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
ir: 2 3 4 3 9 3 3 2 4 3 7 4 2 2 1 2 9 5 1 5 3 1 2 2 2 2 3 9 2 3 3 4 3 4 10 8 17 4 4 4 9 15 43 80 6 3 6 5 2 7 6 13 6 7 9 4 2 13 3 4 3 4 12 2 4 4 9 11 4 4 4 2 6 1 8 6 2 1 4 2 2 2 2 5 15 5 8 16 8 4 3 5 4 5 2 2 1 1 3 2 1 4 2 3 1 3 3 4 2 3 3 6 15 7 20 6 12 13 10 12 16 7 9 5 13 10 6 7 3 4 4 14 6 6 25 10 20 21 15 11 4 4 3 2 2 7 12 58 2 2 7 2 1 7 37 9 8 2 1 0 1 3 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 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 1 1 1 0 1 1 1 2 2 2 2 2 3 5 3 3 2 3 2 4 4 12 18 7 7 32 27 2 4 2 3 1 1 1 1 2 1 2 2 2 2 2 3 10 17 100 31 8 4 4 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 84 dd 1H J 20 48 | 76 75 m 1H | 75 74 m 2H | 73 72 m 3H | 42 41 t 2H J 66 | 41 40 d 1H J 137 | 40 39 d 1H J 137 | 39 38 tq 1H J 15 60 | 33 32 tt 1H J 38 49 | 29 28 m 1H | 28 27 m 3H | 27 26 td 2H J 50 60 | 25 24 d 3H J 14 | 22 21 m 1H | 21 18 m 6H | 16 15 dh 1H J 66 133 | 15 14 m 2H | 8 8 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN(N)c1ccc(OCc2ccccc2)cc1
ir: 12 4 4 6 7 2 0 4 6 4 4 6 9 14 12 9 5 4 5 3 3 4 3 3 10 9 8 4 7 3 16 12 12 6 12 4 15 4 9 28 30 16 22 32 12 6 5 10 7 4 6 10 9 20 19 14 18 13 11 4 2 2 4 10 10 12 4 4 10 6 5 5 2 2 1 3 4 2 3 3 2 2 2 2 4 2 3 6 18 13 5 7 3 5 3 3 3 2 6 3 3 5 6 11 19 2 3 2 1 2 0 1 1 1 1 1 2 2 10 7 7 5 3 3 2 3 4 1 2 2 2 1 4 3 10 6 6 3 5 4 5 17 41 58 100 52 33 15 7 16 5 12 9 6 6 3 1 1 1 1 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 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 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 2 2 2 1 1 4 6 7 26 26 36 13 5 5 2 2 1 1 2 1 2 9 16 19 11 11 5 2 2 3 3 2 8 24 7 5 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 ddt 2H J 9 14 66 | 74 73 m 2H | 73 73 m 1H | 71 70 m 2H | 69 68 m 2H | 51 50 m 4H | 42 42 s 2H | 38 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(O)ccc1COCCc1ccnn1C
ir: 1 1 1 1 2 8 3 2 7 23 4 2 2 3 3 2 1 1 2 2 7 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 3 8 5 1 1 2 2 1 1 2 2 2 4 6 27 5 2 1 2 1 1 1 1 3 7 9 5 24 3 3 7 12 5 2 2 3 1 1 14 87 9 5 2 0 2 5 7 10 37 8 4 2 2 2 9 32 6 2 1 1 2 2 14 1 3 1 0 2 5 5 4 1 2 1 2 1 2 3 3 3 3 3 2 2 3 2 2 2 2 5 8 7 100 3 2 2 4 3 1 1 1 1 2 4 2 1 1 4 5 5 19 8 4 22 12 4 1 0 1 1 1 24 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 2 2 2 2 3 4 8 8 9 11 41 28 29 6 2 2 5 7 25 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 33 | 70 70 m 1H | 67 66 m 2H | 63 62 s 1H | 61 60 dt 1H J 8 31 | 45 45 d 2H J 9 | 38 38 t 2H J 58 | 37 37 s 3H | 29 28 td 2H J 9 59 | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)Cc1c[nH]c(CCC(N)=S)n1
ir: 4 7 11 21 13 11 10 17 4 11 3 6 4 3 3 2 2 2 2 2 1 1 1 2 1 1 2 1 2 2 2 1 2 2 3 1 1 2 2 2 2 1 3 3 6 7 11 6 4 3 2 3 2 2 2 1 2 1 1 3 3 4 4 7 28 16 10 5 5 6 22 11 6 6 2 5 5 2 2 1 5 2 6 5 8 2 4 2 7 13 8 6 6 12 29 53 3 8 8 10 6 5 11 16 15 16 30 3 5 2 1 3 3 5 13 17 49 19 3 27 8 13 19 11 17 9 4 17 4 52 5 5 8 4 4 2 2 3 3 3 4 7 4 2 1 1 2 2 1 1 1 2 4 4 9 6 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 2 1 1 2 1 1 1 1 1 1 1 2 1 2 2 5 11 5 8 5 9 10 10 6 6 8 7 6 14 48 100 18 10 13 31 12 6 7 4 2 3 3 4 9 12 21 12 3 3 3 1 30 3 2 1 1 1 2 1 0 3 5 8 60 12 1 3 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 d 1H J 49 | 78 78 s 2H | 70 69 dt 1H J 9 48 | 32 31 t 2H J 61 | 30 29 t 2H J 60 | 27 27 d 2H J 7 | 14 13 q 2H J 79 | 10 10 s 5H | 9 8 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cccc(-c2n[nH]cc2-c2ccnc(NCCc3ccccc3)c2)c1
ir: 7 5 3 4 3 4 6 2 2 7 5 3 3 3 4 2 3 3 4 3 3 8 3 2 3 3 2 2 3 5 7 6 5 6 2 6 7 10 11 15 15 7 7 7 8 3 8 100 25 14 5 0 3 5 2 0 2 6 8 3 6 4 3 2 4 8 8 21 8 5 19 5 5 7 3 4 3 3 12 2 3 3 4 4 8 4 4 6 11 7 2 3 5 4 3 3 4 34 5 3 6 4 10 4 4 8 9 9 10 5 2 8 19 15 11 7 3 3 4 4 7 14 23 10 17 13 5 3 14 10 13 15 14 4 2 16 5 5 15 12 5 5 14 27 15 3 11 5 3 4 4 11 17 4 4 15 3 2 2 2 2 4 7 3 2 2 2 2 2 3 3 2 2 1 2 2 9 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 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 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 2 2 5 3 4 4 4 2 4 5 4 4 6 29 17 47 98 35 36 10 6 8 16 19 17 18 15 7 6 8 8 5 4 3 4 3 3 4 5 6 11 10 8 5 4 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 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 90 89 d 1H J 35 | 83 83 d 1H J 49 | 80 80 d 1H J 37 | 76 75 m 2H | 74 74 t 1H J 82 | 74 73 ddd 1H J 13 22 79 | 73 72 m 2H | 73 73 s 2H | 73 72 m 2H | 72 71 dd 1H J 20 48 | 61 60 t 1H J 46 | 34 33 td 2H J 46 61 | 29 28 t 2H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C(C)C)C(C)(C(=O)O)c1ccc(CCC(C)(C)C)c(Cl)c1
ir: 2 1 2 1 1 2 2 1 2 3 4 4 3 4 6 8 3 3 2 2 2 5 28 100 10 2 2 3 4 9 2 2 2 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 2 4 2 12 2 1 2 2 3 2 2 3 2 1 3 6 3 4 2 7 9 3 3 5 4 29 5 0 6 4 2 1 2 2 2 2 2 2 2 2 3 3 3 2 3 2 3 2 2 1 1 1 1 1 2 2 2 2 4 4 6 4 5 4 9 4 3 3 4 3 3 2 2 2 2 2 5 3 2 4 2 7 3 2 2 2 2 3 4 2 3 4 36 6 2 2 1 3 4 4 2 1 2 4 1 1 1 2 1 1 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 2 3 1 2 1 1 2 1 2 2 4 4 2 5 6 8 9 12 7 3 3 4 5 1 2 2 3 12 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; 1HNMR: 73 73 d 1H J 22 | 71 70 m 2H | 58 57 dtd 1H J 18 103 156 | 53 52 dt 1H J 22 156 | 51 50 dt 1H J 21 101 | 29 29 m 1H | 28 27 td 2H J 8 75 | 17 16 m 1H | 17 16 d 3H J 14 | 15 14 t 2H J 75 | 9 8 ddd 7H J 15 71 218 | 8 8 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(S)cc(C(F)(F)F)c1
ir: 11 4 3 6 3 3 2 3 3 3 3 4 3 3 3 3 17 3 4 3 2 3 2 3 3 3 3 3 3 5 11 12 3 3 3 3 3 2 3 3 3 2 4 7 4 7 49 5 3 3 3 3 3 3 13 3 3 2 2 3 3 2 3 5 8 34 68 41 12 5 3 3 3 3 2 2 3 3 3 2 3 3 2 3 3 3 3 3 4 9 10 3 3 5 3 3 1 4 77 74 5 30 6 3 2 3 3 2 2 2 4 3 0 3 17 100 11 5 2 3 5 2 1 4 9 7 5 40 23 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 9 2 2 2 2 3 3 2 15 11 6 3 3 3 3 2 2 3 3 2 2 3 2 2 3 3 3 3 3 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 8 3 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 6 12 7 39 9 22 9 7 5 4 4 4 3 4 3 2 2 3 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 76 75 t 1H J 22 | 73 72 dt 1H J 21 121 | 71 70 dt 1H J 22 121 | 40 39 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1CC[C@@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)C1(O)CCCC1
ir: 1 4 5 1 4 6 8 3 1 2 1 0 0 1 1 0 0 0 0 1 1 1 1 1 1 3 2 2 1 2 1 0 0 2 1 1 2 7 8 4 3 2 3 0 1 1 1 8 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 3 9 2 2 3 8 2 2 2 4 3 5 6 4 7 3 1 1 1 1 1 1 3 2 1 1 1 1 2 2 2 2 5 3 3 4 3 1 2 3 1 1 1 1 2 1 1 1 2 2 0 0 1 1 0 1 1 1 1 1 2 1 3 1 1 4 7 15 7 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 2 2 1 1 1 1 1 6 5 3 1 3 3 4 2 0 3 19 100 37 4 2 1 1 1 0 1 1 1 1 1 1 0 1 1 5 11 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 69 dd 1H J 75 82 | 67 67 dd 1H J 13 75 | 67 66 dd 1H J 13 82 | 59 59 d 1H J 15 | 59 58 d 1H J 14 | 58 57 d 1H J 88 | 46 45 s 1H | 35 34 dtt 1H J 31 59 88 | 30 30 m 4H | 28 27 m 4H | 27 26 m 1H | 26 25 dt 1H J 83 125 | 22 21 m 2H | 21 20 m 2H | 20 19 m 2H | 18 17 m 4H | 17 14 m 7H | 14 13 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NC1CCCC(c2ccc(NS(C)(=O)=O)cc2)C1)c1cccc2ccccc12
ir: 7 21 16 7 9 18 12 9 14 11 4 11 6 11 9 4 6 16 10 7 3 6 14 16 19 11 4 12 7 4 9 6 11 9 11 17 40 6 17 12 37 20 9 15 7 38 37 4 7 7 3 5 5 11 14 9 9 18 16 11 21 5 3 2 2 3 1 8 14 30 15 5 4 5 8 2 5 6 3 2 4 5 2 4 3 5 39 71 69 7 5 3 3 8 19 6 7 12 38 22 9 16 21 28 23 11 12 7 6 17 10 8 5 11 8 5 10 13 20 34 43 11 26 7 7 7 12 22 18 31 16 26 18 13 12 13 12 15 13 4 2 6 3 1 3 4 5 5 14 26 64 14 31 12 6 5 2 1 3 6 4 2 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 1 1 1 2 2 2 2 2 4 2 2 2 3 3 2 3 2 3 4 6 6 25 29 19 37 77 38 12 16 4 5 3 3 2 3 3 2 2 3 3 3 4 6 5 21 73 37 11 8 7 8 31 100 17 15 7 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 81 80 m 1H | 79 79 dt 1H J 13 85 | 79 78 dt 1H J 17 68 | 76 75 m 2H | 75 74 m 2H | 72 72 m 2H | 71 70 m 2H | 69 68 s 1H | 49 48 m 1H | 30 29 t 1H J 81 | 30 29 s 3H | 29 28 ddt 1H J 57 65 71 | 28 27 dtt 1H J 44 53 79 | 21 20 ddd 1H J 53 73 139 | 20 19 ddt 1H J 58 84 135 | 19 18 ddd 1H J 52 72 139 | 18 17 m 2H | 17 15 m 2H | 15 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Br)c(OCCOCC(F)(F)F)c1
ir: 6 15 2 3 4 23 3 4 7 7 5 4 3 8 6 10 7 9 5 12 93 100 66 24 7 10 17 11 4 2 3 3 2 1 11 4 11 3 2 3 2 0 2 2 2 3 1 2 1 2 1 1 2 5 12 3 4 6 11 3 2 3 10 1 3 5 9 16 9 7 11 16 5 7 11 13 13 10 30 58 8 5 2 3 4 6 9 14 8 19 8 7 6 6 5 2 1 2 5 6 17 30 17 5 20 19 11 1 2 1 1 4 5 2 4 8 29 54 12 7 12 5 3 13 18 4 2 5 4 4 3 0 0 1 1 0 1 0 1 5 1 2 2 1 12 57 18 4 13 9 1 0 1 0 1 2 0 0 0 0 0 0 5 4 2 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 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 1 2 2 3 3 7 1 2 1 1 1 3 2 9 10 31 78 15 6 3 3 2 1 1 1 38 36 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H | 74 74 d 1H J 19 | 42 42 t 2H J 41 | 40 39 q 2H J 130 | 38 38 t 2H J 41
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnn(-c2cc(C(=O)NC3CC3)ccc2C)c1N
ir: 10 3 6 3 3 9 17 25 21 16 22 10 7 15 9 5 2 5 4 6 5 11 11 8 7 4 10 5 5 7 14 26 28 30 11 8 8 13 20 19 29 37 19 6 7 4 8 2 3 3 4 3 3 3 3 3 3 4 2 2 2 3 1 4 3 3 4 5 3 15 5 2 5 5 2 1 3 3 3 1 3 10 9 12 5 4 2 2 4 3 2 2 11 7 2 2 4 6 15 4 7 1 1 2 2 1 0 1 2 1 0 2 1 6 3 2 3 2 0 5 15 6 4 3 5 2 0 4 5 3 4 6 4 2 0 8 15 90 58 25 15 7 8 22 7 5 3 4 4 5 10 6 4 3 4 11 86 11 6 59 30 9 6 5 4 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 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 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 2 2 1 2 3 4 3 6 4 6 10 6 8 20 33 11 6 3 4 4 2 1 1 1 1 2 1 1 1 2 2 5 26 91 3 6 12 9 28 21 12 6 3 11 26 100 4 5 2 0 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 d 1H J 22 | 78 78 s 1H | 78 77 m 1H | 77 77 s 2H | 75 74 m 2H | 43 42 q 2H J 64 | 31 30 dp 1H J 47 73 | 23 23 d 3H J 11 | 14 14 t 3H J 64 | 10 9 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.
c1ccc2c(c1)NCC21CC1
ir: 4 3 4 3 3 4 6 3 5 2 3 2 2 3 3 4 8 8 2 2 3 1 4 1 1 1 1 1 3 2 2 1 2 1 1 2 3 3 3 3 6 63 100 33 3 3 2 4 4 2 2 0 1 1 1 0 1 1 1 1 1 2 1 1 1 3 2 1 1 1 1 0 2 11 17 3 2 1 1 1 2 6 3 2 1 1 2 1 5 10 1 1 2 1 0 2 3 1 0 3 3 1 1 1 1 1 7 38 67 2 1 1 1 0 0 0 1 1 0 1 13 9 3 3 4 6 3 2 4 6 4 3 9 16 18 21 22 6 2 19 15 15 11 4 2 1 1 1 1 2 7 33 24 4 2 2 1 1 1 3 7 6 2 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 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 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 3 11 3 6 7 14 17 28 17 7 8 5 4 3 2 1 1 2 2 1 1 2 2 3 5 2 3 8 14 32 28 27 13 8 14 6 6 5 5 6 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 73 72 dd 1H J 13 79 | 72 71 td 1H J 13 71 | 69 69 td 1H J 13 75 | 67 67 dd 1H J 13 71 | 42 42 t 1H J 27 | 37 37 d 2H J 27 | 16 15 m 2H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cccc(Br)c2)cn1
ir: 11 19 13 19 13 13 5 17 47 23 8 12 8 13 8 9 12 15 6 6 6 5 17 10 6 6 5 6 10 8 20 22 9 9 6 6 5 5 5 5 4 6 5 4 7 17 39 60 15 0 5 10 11 11 11 7 9 6 10 12 6 8 19 42 41 8 28 19 11 8 6 7 4 5 10 10 12 14 45 19 12 5 7 7 4 5 7 14 6 7 31 53 10 5 7 5 4 5 8 5 4 5 5 6 8 7 7 6 5 5 6 6 5 7 8 10 15 7 13 15 29 11 7 6 7 7 8 6 8 13 8 17 36 29 7 7 4 6 8 28 52 10 8 5 5 6 8 4 6 10 19 15 9 28 7 17 22 8 6 3 4 6 8 11 5 6 5 3 4 6 5 3 5 6 5 3 5 6 4 3 5 6 4 3 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 6 6 5 5 5 5 5 7 7 8 9 8 9 7 9 7 9 14 36 100 75 26 30 46 15 17 16 10 5 4 5 6 6 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 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 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 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 80 79 s 1H | 78 78 s 1H | 76 75 t 1H J 22 | 75 74 dddd 2H J 13 22 35 81 | 73 72 t 1H J 78 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
ir: 2 8 13 7 4 9 12 6 1 6 14 8 1 18 25 10 4 12 10 5 4 9 9 4 5 10 12 3 3 8 7 3 3 8 8 3 7 9 7 3 5 10 6 2 4 9 6 2 4 9 6 2 5 8 28 100 13 15 8 0 6 11 6 1 10 14 12 13 34 14 9 5 10 11 6 4 8 10 3 2 9 9 3 3 25 16 3 3 8 8 4 6 14 8 2 3 9 7 1 4 9 6 1 4 9 7 3 6 10 6 4 10 11 6 1 6 11 5 0 10 60 90 39 14 10 7 6 10 10 6 3 7 8 4 3 7 8 4 3 7 8 6 6 7 7 3 4 9 43 40 9 12 10 27 26 10 21 5 8 11 10 6 13 12 6 2 5 9 5 1 5 9 5 1 5 9 5 2 6 8 5 2 6 8 4 2 6 8 4 3 6 8 4 3 7 7 3 3 7 7 3 3 7 7 3 4 7 6 3 4 8 6 2 4 8 6 2 4 8 6 2 5 8 5 2 5 9 5 1 5 8 5 2 5 8 5 2 6 8 4 2 6 8 4 2 6 8 4 3 6 7 4 3 7 7 3 3 7 7 3 4 7 6 3 4 7 6 3 4 8 6 3 4 7 6 2 5 8 6 4 6 10 8 6 11 10 61 96 29 14 7 2 8 9 5 3 6 8 4 3 6 8 4 3 6 7 4 3 7 7 4 3 7 7 4 3 7 7 3 4 7 6 3 4 7 6 3 4 7 6 3 4 8 6 3 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 6 7 4 3 6 7 4 3 6 7 4 3 6 7 4 3 6 7 4 4 6 6 3 4 7 6 3 4 7 6 3 4 7 6 3 5 7 6 3 5 7 5 3 5 8 5 2 5 8; 1HNMR: 82 81 d 1H J 87 | 76 76 d 1H J 22 | 73 72 dd 1H J 21 87 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H]1COC[C@H]1OCc1ccccc1
ir: 1 5 12 17 6 22 14 19 22 9 3 5 2 2 4 4 4 3 2 2 4 8 3 5 4 3 2 2 2 3 3 13 15 5 3 1 2 3 3 7 12 46 3 4 9 7 2 3 2 2 5 6 3 3 3 2 2 3 3 2 2 3 5 3 2 7 10 8 11 12 2 3 5 11 4 6 6 7 3 3 2 2 2 1 3 3 2 2 17 18 32 47 31 62 15 6 3 3 2 3 3 2 1 2 4 7 7 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 2 2 2 2 2 3 2 2 2 2 2 1 12 12 23 2 2 2 2 1 8 31 22 5 4 1 1 2 5 3 5 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 1 1 2 2 2 1 1 2 1 2 1 1 1 1 1 2 1 2 2 1 2 2 2 1 2 1 1 1 1 2 2 2 1 2 2 2 2 2 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 3 4 4 3 3 3 5 5 4 7 10 8 20 37 12 16 1 0 4 36 100 77 3 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1; 1HNMR: 74 73 m 5H | 47 46 d 1H J 118 | 45 45 d 1H J 118 | 41 40 m 2H | 39 38 ddd 2H J 17 113 213 | 37 36 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C=C1CCCS1)C(F)(F)F
ir: 13 11 2 2 9 3 0 4 5 4 1 3 5 4 4 3 8 8 2 3 3 1 1 3 3 1 1 3 4 3 1 3 3 3 1 7 7 6 4 5 3 1 2 3 2 2 5 4 2 1 2 3 2 1 2 7 2 0 2 4 2 1 2 3 2 2 2 3 2 1 2 3 2 2 3 3 10 20 27 4 4 2 4 4 1 1 3 3 2 2 5 5 9 4 3 2 5 12 13 89 13 13 12 7 2 2 3 2 0 3 4 7 6 7 5 5 4 4 4 5 2 3 4 2 3 3 4 2 1 3 3 2 1 3 3 2 2 4 10 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 3 2 2 3 5 100 9 4 2 0 1 4 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 7 7 4 3 3 3 2 2 4 11 22 5 5 5 3 2 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 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 66 66 h 1H J 12 | 29 29 t 2H J 43 | 26 26 t 2H J 52 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(C=O)c(OC)ccc2c1
ir: 2 3 3 5 3 2 2 2 2 2 2 2 2 2 5 5 5 5 3 3 4 2 3 3 2 4 3 2 3 3 3 4 4 7 2 2 1 2 9 3 3 1 3 2 2 1 3 2 2 1 2 3 4 21 21 14 5 1 6 18 58 61 9 0 4 7 7 18 22 8 3 3 7 5 4 5 3 2 2 3 14 2 1 1 2 2 2 1 2 2 2 3 3 3 3 2 4 3 1 3 19 3 5 2 2 2 2 2 2 5 17 7 6 7 4 3 2 3 4 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 1 2 1 1 2 4 2 1 2 3 5 4 2 3 1 2 3 6 14 7 46 18 8 33 20 31 2 3 2 2 2 2 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 4 2 2 2 1 1 1 2 1 1 2 2 3 4 6 3 16 100 39 43 5 5 4 3 2 3 2 2 2 2 2 2 1 1 1 2 1 1 2 2 1 1 2 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 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 80 80 d 1H J 82 | 79 79 dd 1H J 21 86 | 72 72 t 1H J 23 | 71 70 m 2H | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2nc(S(=O)(=O)c3ccc(F)cc3)nc3c2ccn3CCO)n[nH]1
ir: 3 2 3 3 3 3 9 30 6 5 3 6 7 9 18 3 3 4 3 5 6 3 3 3 4 3 1 11 17 3 5 5 22 55 8 1 1 3 3 1 2 11 41 20 3 2 2 1 2 10 18 0 3 3 17 7 2 5 5 1 1 1 2 2 5 5 5 12 3 3 2 1 1 3 4 10 5 1 3 1 4 8 6 13 4 3 4 6 4 3 4 5 6 9 16 23 34 19 7 5 19 8 0 2 2 1 1 1 2 2 2 3 2 2 1 3 7 3 4 1 3 2 1 4 9 1 3 2 5 1 1 1 3 3 1 1 1 4 54 2 1 1 1 1 16 2 12 35 4 11 4 4 9 7 20 4 3 0 6 5 5 100 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 2 1 1 1 2 3 2 4 7 3 4 12 8 17 12 15 16 39 4 3 3 2 1 1 1 2 1 1 2 3 4 4 3 2 6 11 58 29 29 8 5 2 6 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 99 99 s 1H | 93 93 s 1H | 82 81 m 2H | 75 74 m 3H | 69 68 d 1H J 68 | 60 59 s 1H | 43 43 td 2H J 9 40 | 41 41 t 1H J 57 | 39 38 dt 2H J 40 56 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(N2CCC(CCO)CC2)cn1
ir: 5 4 6 7 10 13 25 9 5 3 4 5 4 3 2 5 5 17 20 10 5 5 9 2 2 3 1 14 2 2 3 2 3 1 3 21 28 5 4 4 2 3 3 2 2 3 5 2 3 4 3 2 8 29 20 6 5 4 2 2 1 4 4 4 2 3 2 4 2 4 10 0 6 7 10 3 3 3 2 0 2 2 2 2 6 14 21 6 16 100 17 6 6 7 19 6 3 10 2 5 10 8 3 3 4 16 8 5 3 1 2 2 1 1 1 1 1 1 1 1 2 2 1 3 4 2 0 1 2 2 1 2 5 1 1 3 6 10 15 3 3 3 2 3 3 2 3 3 20 24 4 8 75 18 64 14 6 0 3 2 2 0 14 2 2 2 1 2 0 0 1 2 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 2 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 1 1 1 1 1 1 1 1 1 1 1 3 4 2 2 2 1 2 2 3 3 9 5 5 3 11 3 2 1 2 3 7 22 5 3 1 0 1 2 0 1 2 34 40 3 2 1 1 1 1 2 1 2 2 50 54 7 2 3 2 1 1 1 1 1 2 1 0 1 1 1 0 0 1 1 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 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 d 1H J 20 | 70 70 dd 1H J 20 82 | 65 65 d 1H J 82 | 55 54 s 2H | 36 36 q 2H J 57 | 35 34 ddd 2H J 57 84 125 | 33 32 ddd 2H J 57 84 125 | 23 22 t 1H J 61 | 20 19 ddt 2H J 54 82 123 | 17 16 ddt 2H J 54 82 123 | 16 15 m 1H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc(S(C)=O)nc(N2CCS(=O)CC2)c1[N+](=O)[O-]
ir: 2 2 2 3 2 3 1 1 2 2 2 1 2 3 2 1 1 1 1 1 2 2 3 3 5 2 1 2 1 1 1 1 1 2 2 2 2 3 2 2 4 46 6 5 2 1 2 3 2 1 1 2 2 5 2 4 3 3 2 2 1 1 2 2 2 1 2 9 3 1 1 2 1 1 2 2 1 1 2 5 9 5 2 3 6 2 2 5 2 1 1 1 1 1 2 3 2 2 2 3 2 2 2 2 4 2 5 7 6 3 2 2 2 2 2 2 2 5 4 2 2 2 2 3 4 6 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 8 2 1 1 3 3 2 1 66 100 8 5 0 3 4 2 3 2 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 3 3 2 2 2 3 2 2 3 5 10 6 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; 1HNMR: 44 44 q 2H J 67 | 42 42 m 4H | 30 30 s 2H | 29 29 m 4H | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC1C(=O)NC(C(=O)O)(C(O)C2C=CCCC2)C1(C)O
ir: 4 4 3 4 2 5 7 4 3 2 1 1 1 1 2 2 1 2 5 4 3 6 7 4 11 5 6 10 3 15 10 3 1 1 1 1 1 3 4 3 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 0 1 0 0 1 1 1 1 2 1 1 0 1 1 1 2 2 2 1 4 6 13 7 12 9 3 1 2 2 3 4 3 3 8 7 7 7 1 1 1 1 1 1 1 1 2 1 2 3 2 2 1 2 3 1 1 3 2 2 3 6 8 3 1 3 1 0 4 1 1 1 1 2 1 6 1 1 0 0 1 2 0 0 0 1 0 2 5 0 0 0 0 0 1 2 9 11 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 1 2 6 5 4 1 1 1 1 1 2 4 37 16 6 100 2 2 0 0 1 1 0 0 0 1 1 1 1 5 15 5 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 s 1H | 58 57 m 1H | 57 56 m 1H | 47 46 d 1H J 47 | 46 45 ddd 1H J 17 48 81 | 43 42 s 1H | 31 31 tq 1H J 15 60 | 26 25 m 1H | 22 21 m 2H | 18 16 m 3H | 16 15 m 3H | 15 14 m 1H | 14 13 m 4H | 13 13 m 5H | 13 12 m 1H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN(CCCC)C(=O)c1n[nH]c(C)c1Br
ir: 2 1 0 2 3 1 1 8 18 20 4 7 2 2 1 2 1 2 1 2 3 3 3 2 10 27 27 7 6 2 4 3 2 1 1 2 1 1 2 2 2 4 9 4 2 8 13 3 42 8 2 2 3 0 3 3 1 1 1 4 2 6 5 9 4 1 4 3 3 2 3 2 1 2 2 2 2 1 1 2 1 1 1 2 1 1 3 5 1 1 2 5 2 2 3 2 2 5 9 19 27 7 5 7 5 46 76 24 6 5 7 4 8 14 10 19 2 7 4 6 5 4 5 3 1 4 5 10 3 5 4 4 2 9 31 12 2 4 6 2 1 2 2 1 1 11 3 0 1 1 1 1 2 100 26 6 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 2 2 2 3 2 2 1 5 7 4 5 4 2 3 3 4 13 15 7 3 4 1 2 2 2 1 0 1 2 1 1 1 2 1 1 3 9 3 1 2 1 1 1 1 1 4 10 80 11 3 2 2 2 0 1 2 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 34 33 t 4H J 65 | 24 24 s 2H | 16 15 p 4H J 67 | 14 13 h 4H J 73 | 10 9 t 7H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2c([nH]1)CCC2Cc1cc(F)cc(Cl)c1
ir: 0 1 0 0 0 0 0 0 0 2 2 2 0 5 7 2 1 2 2 6 2 6 67 100 63 5 3 5 4 1 1 1 1 1 1 1 0 1 1 1 1 2 1 0 1 9 14 7 6 1 2 2 1 0 1 1 0 1 1 2 1 0 1 1 5 13 24 7 1 2 1 2 3 2 2 1 3 10 19 3 1 2 1 1 1 2 2 3 4 4 9 11 8 4 11 7 2 1 0 0 0 0 0 0 1 1 1 1 3 3 1 9 19 11 10 4 1 0 2 1 1 1 1 2 1 2 4 3 2 4 2 1 1 1 0 0 1 0 0 1 0 0 1 5 2 1 33 31 5 2 2 2 1 1 1 0 1 1 5 2 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 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 1 0 0 1 3 2 1 1 2 1 1 1 2 6 4 7 4 9 6 8 2 2 1 1 7 75 85 24 1 1 1 0 1 0 0 1 0 1 1 1 3 5 25 12 6 4 3 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 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; 1HNMR: 94 94 s 1H | 71 71 dt 1H J 22 121 | 71 70 tt 1H J 9 21 | 69 69 dtt 1H J 9 21 121 | 65 65 d 1H J 7 | 31 30 m 2H | 30 29 ddd 1H J 45 63 147 | 29 28 m 2H | 23 22 dddd 1H J 44 51 62 125 | 20 19 dddd 1H J 44 51 62 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C)cc(CC)c1-c1c(S(C)=O)c(C(F)(F)F)nn(C)c1=O
ir: 6 9 20 83 18 9 14 6 6 4 3 5 6 4 3 12 16 5 7 8 7 6 4 5 7 20 6 7 6 9 48 73 13 3 20 12 23 2 4 7 6 2 5 13 17 2 10 10 9 25 25 9 7 5 5 11 9 0 9 11 14 7 10 18 6 7 8 22 32 88 8 13 19 17 13 10 25 17 10 7 3 4 7 7 2 3 10 67 5 3 8 8 0 23 100 28 35 81 10 18 45 5 8 8 6 6 14 48 73 21 44 38 29 31 24 23 8 19 18 27 23 8 11 6 8 13 11 9 4 8 18 7 4 18 17 17 6 5 8 17 8 11 23 5 4 6 5 3 4 7 5 2 3 6 5 2 11 14 37 2 4 22 10 2 4 7 4 2 4 7 4 2 4 7 4 2 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 6 5 3 3 6 6 5 8 10 7 7 7 9 9 7 7 12 11 16 12 34 36 46 27 72 61 11 8 9 6 3 9 8 5 3 5 6 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 4 3 3 5 4 3 3 5 4 2 3 5 4 2 4 5 4 2 4 6 4 2 4 5 4 2 4 5 4 2 4 5 3 2 4 5 3 3 4 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 4 3 3 5 4 3 3 5 4 3 3 5 4 2 4 5 4 2 4 5 4 2; 1HNMR: 70 70 d 2H J 8 | 38 37 s 3H | 30 29 s 3H | 28 27 qd 5H J 9 75 | 23 23 s 3H | 13 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(O)cc1-c1ccc2c(c1COc1cc(F)ccc1C)C(C)=CC(C)(C)N2
ir: 5 10 7 3 4 3 3 4 9 7 8 4 8 10 7 7 5 5 6 4 5 5 2 3 3 2 3 2 3 2 2 3 3 2 4 3 2 1 2 4 3 1 3 4 4 0 2 4 3 0 3 14 100 32 49 8 6 6 3 2 3 10 6 5 6 8 27 9 20 6 8 4 4 8 3 2 3 3 3 5 8 24 54 11 6 5 6 5 7 8 3 3 7 3 7 9 11 7 4 5 3 3 3 9 6 9 18 5 2 4 3 2 2 2 3 3 3 2 5 3 5 3 3 3 2 3 7 4 7 6 4 3 3 3 4 8 4 6 18 8 11 8 5 9 27 5 3 11 5 23 6 4 16 10 14 6 6 5 2 3 6 21 8 51 3 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 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 3 4 3 3 2 3 2 3 2 3 2 4 4 8 10 9 31 24 22 14 9 5 4 6 7 62 26 2 3 3 2 2 2 3 2 2 3 3 6 14 21 62 29 6 7 3 3 3 2 2 2 2 2 2 2 2 3 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 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; 1HNMR: 82 81 s 1H | 74 73 d 1H J 79 | 72 71 m 1H | 70 70 d 1H J 89 | 70 69 d 1H J 22 | 69 68 m 3H | 66 65 dd 1H J 21 122 | 56 55 s 2H | 55 55 dq 1H J 11 24 | 40 40 s 1H | 39 39 s 3H | 22 22 d 3H J 10 | 20 20 d 3H J 14 | 13 12 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=N)Nc2ccc(S(C)(=O)=O)cc2)cn1
ir: 13 9 6 10 7 10 6 16 14 21 17 9 29 14 8 8 6 22 12 22 28 27 12 8 4 2 4 2 1 2 5 4 12 10 8 5 22 20 5 9 6 3 2 1 3 2 5 3 2 3 1 2 9 14 26 25 40 17 3 1 2 2 1 3 8 12 7 3 2 6 8 2 5 5 7 4 4 7 12 18 15 4 5 14 35 12 5 3 5 4 5 3 1 1 2 2 2 4 22 8 6 2 2 2 6 20 9 4 0 1 1 1 1 1 1 3 2 2 3 6 12 9 5 6 2 5 3 6 1 1 1 1 1 1 2 5 44 31 3 3 18 9 11 10 7 5 2 2 3 16 15 23 10 12 17 6 2 1 1 1 1 12 12 82 2 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 2 2 2 2 1 0 0 1 1 0 1 2 1 8 12 13 6 12 100 35 29 11 2 2 2 2 2 1 1 1 2 2 1 2 2 11 25 7 2 1 4 8 12 13 37 53 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 1 0 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; 1HNMR: 86 85 d 1H J 19 | 78 78 m 2H | 77 77 dd 1H J 19 76 | 77 77 s 1H | 74 74 m 2H | 73 73 s 1H | 72 72 dd 1H J 9 76 | 33 32 s 3H | 25 25 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(=O)O)c(C(=O)c2ccccc2C)c1
ir: 2 1 1 2 3 8 18 6 14 9 8 15 34 18 8 7 8 14 24 31 99 30 45 26 19 7 6 10 10 4 4 9 5 4 4 2 3 11 15 21 63 77 14 11 11 3 7 4 2 5 7 7 5 6 7 10 16 3 4 5 1 8 9 3 2 2 6 7 11 8 11 6 6 8 10 14 24 24 100 61 21 13 11 2 7 8 2 4 6 4 22 15 9 6 2 4 4 3 3 4 7 6 7 4 4 25 10 2 3 4 13 5 1 11 4 4 6 7 12 20 13 7 13 5 3 4 13 5 10 4 4 2 2 3 6 11 10 3 9 18 26 25 32 47 24 19 31 23 9 13 36 20 4 1 2 2 1 2 1 3 3 3 3 4 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 1 1 1 2 2 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 2 7 3 2 6 3 6 8 8 11 22 12 83 87 13 11 4 3 1 3 4 32 23 25 6 3 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 0 0; 1HNMR: 79 79 dd 1H J 15 77 | 75 74 m 1H | 74 73 m 3H | 72 71 d 1H J 27 | 70 69 dd 1H J 27 84 | 39 39 d 2H J 7 | 38 38 s 2H | 24 24 d 3H J 7
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(CO)(c2ccccc2)CC1
ir: 17 13 8 10 12 21 19 17 17 20 28 24 17 18 12 13 17 9 13 8 8 3 5 7 6 6 9 6 8 16 40 31 14 4 5 5 8 8 9 7 20 76 35 9 9 4 2 4 3 2 3 3 3 1 5 5 4 6 7 6 8 3 12 10 9 7 6 6 6 1 16 13 9 4 2 4 2 4 8 3 4 3 3 3 17 12 33 52 33 6 19 12 8 5 15 8 4 5 5 3 3 4 4 6 12 7 4 3 2 3 5 2 2 4 8 7 30 21 26 15 10 15 50 33 11 14 13 23 16 13 28 11 7 6 20 39 43 27 19 9 5 6 5 15 18 35 32 10 10 5 76 100 14 9 9 3 2 4 3 1 2 5 3 1 2 3 2 0 1 3 1 0 1 3 1 0 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 2 1 2 3 3 5 5 7 5 3 7 9 7 5 5 7 10 7 7 29 52 21 49 98 70 18 14 10 5 4 14 47 5 3 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 73 73 d 4H J 40 | 73 72 m 1H | 38 37 ddd 2H J 33 60 124 | 37 37 d 2H J 60 | 35 34 ddd 2H J 34 61 126 | 27 27 t 1H J 60 | 23 22 ddd 2H J 33 60 134 | 21 20 ddd 2H J 33 60 134 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@@H](O)CC2)CC1
ir: 7 2 2 1 2 1 1 1 2 10 5 4 2 2 7 18 2 3 0 3 3 2 100 10 4 3 3 11 1 2 2 2 1 2 4 8 3 5 4 3 2 5 1 1 1 1 1 2 1 1 1 1 2 4 2 1 3 2 1 1 0 1 3 0 1 1 2 1 1 1 3 4 7 10 6 9 8 8 30 16 15 6 1 3 5 7 4 13 7 8 10 3 1 3 2 2 1 1 1 1 1 1 1 3 6 4 2 6 6 5 7 5 3 3 11 4 7 2 5 11 4 6 3 4 4 4 4 2 8 3 1 2 2 1 1 6 10 4 2 4 10 3 2 1 1 1 1 12 1 0 0 0 5 3 2 2 2 18 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 2 2 4 2 3 5 5 5 5 6 5 9 14 6 4 3 3 7 6 5 4 4 19 31 23 74 3 0 2 2 1 0 2 1 1 1 1 2 1 0 2 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 70 70 s 1H | 41 40 tdd 1H J 47 61 76 | 38 37 m 1H | 29 28 d 1H J 57 | 25 24 tt 1H J 47 75 | 20 18 m 7H | 18 16 m 9H | 15 14 m 1H | 14 13 dddd 2H J 59 70 86 129 | 13 13 s 7H | 10 9 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1c(-c2cccs2)noc1NC(=O)Nc1ccccc1
ir: 1 1 7 2 1 2 3 3 2 6 3 8 3 2 6 9 3 2 3 2 1 4 15 12 17 31 23 6 3 2 3 5 2 2 2 4 5 9 12 9 9 17 8 17 15 6 3 2 5 3 5 1 4 10 11 1 53 35 21 20 7 0 2 4 3 1 5 6 7 9 2 2 6 4 3 3 3 1 3 4 6 4 2 2 2 1 1 2 3 7 4 2 7 5 8 2 1 1 1 1 1 1 4 4 20 8 8 4 2 3 5 2 1 2 2 1 1 1 1 1 2 2 4 2 1 1 1 1 2 9 2 1 2 4 8 8 3 2 1 3 2 1 1 2 6 8 3 4 12 2 4 8 6 42 19 5 2 8 7 100 63 15 4 2 2 6 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 9 14 13 44 9 4 5 4 2 1 1 2 2 1 2 2 1 1 3 3 11 20 3 5 3 10 19 40 41 17 5 3 2 16 84 16 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; 1HNMR: 100 99 s 1H | 95 95 s 1H | 78 78 s 2H | 75 75 dd 1H J 17 50 | 74 73 m 3H | 73 72 m 2H | 72 71 dd 1H J 51 70 | 70 70 tt 1H J 11 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cc(Cl)ccc1Cl)N1CC1
ir: 6 6 3 3 3 3 3 6 9 4 3 3 3 26 3 3 3 3 3 4 3 2 2 3 3 3 2 3 3 7 9 3 4 5 16 4 6 4 44 1 58 14 6 3 3 2 4 42 4 4 4 3 4 12 82 6 3 3 3 3 3 3 2 3 3 4 4 72 46 2 3 4 3 7 3 4 2 30 7 3 5 3 3 3 4 11 3 3 11 3 3 3 6 41 4 3 2 12 3 6 4 3 3 3 2 3 6 14 54 4 0 2 5 3 1 3 6 3 48 6 3 3 2 20 38 9 6 3 2 3 3 3 3 3 13 23 4 4 3 2 2 3 4 3 5 44 8 8 6 7 98 4 27 17 4 2 3 3 3 6 7 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 21 5 10 4 4 4 6 30 100 52 27 14 10 4 3 3 3 3 4 3 2 3 2 4 3 3 3 3 3 3 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 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 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2; 1HNMR: 78 78 d 1H J 24 | 75 75 d 1H J 73 | 74 74 dd 1H J 26 73 | 35 34 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc2[nH]nc(Nc3nccs3)c2c1
ir: 3 2 1 2 2 2 1 6 4 2 0 4 12 19 41 20 2 3 3 3 8 6 13 9 5 1 1 2 2 3 14 15 4 2 2 3 31 18 3 3 5 8 11 3 5 2 2 3 6 9 4 3 5 3 13 4 3 3 3 2 2 1 2 2 1 1 3 4 5 1 1 2 1 1 2 4 5 1 2 3 2 1 3 2 2 3 2 2 1 6 6 2 3 2 2 2 1 3 6 32 8 2 2 2 5 11 2 6 5 22 9 2 1 2 3 2 1 7 4 2 1 3 5 2 1 2 3 3 1 1 1 1 1 2 2 2 2 4 9 2 3 2 3 25 100 17 9 1 2 8 21 23 3 28 25 31 6 2 2 1 1 2 7 6 2 2 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 4 6 16 30 25 17 11 9 4 2 1 2 2 2 2 2 2 2 1 2 2 2 4 7 9 6 10 10 25 43 73 25 19 5 5 3 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 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; 1HNMR: 82 82 t 1H J 15 | 76 76 s 1H | 75 75 m 2H | 72 72 d 1H J 44 | 67 66 d 1H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCCc1ccc(-c2ccc(F)cn2)cc1
ir: 1 2 3 2 4 5 3 2 3 4 4 3 1 3 3 6 6 9 7 3 2 1 2 1 1 2 4 2 1 2 2 1 2 6 7 6 8 5 2 1 1 1 1 1 3 3 2 2 2 5 3 8 18 51 49 4 14 13 6 0 6 3 3 4 4 4 3 2 2 15 7 0 2 3 1 0 1 2 1 0 1 2 0 1 2 1 3 6 15 5 3 2 6 3 1 1 2 1 1 5 4 3 4 6 12 2 1 2 2 2 0 3 6 4 4 3 1 4 8 4 5 15 7 6 4 7 2 2 5 1 0 2 2 2 2 11 71 5 2 3 2 1 2 2 2 5 18 89 49 17 7 10 13 6 3 3 2 1 5 7 3 0 2 10 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 2 3 3 2 1 2 4 5 7 10 13 50 100 61 37 10 6 6 3 2 1 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 98 97 tt 1H J 10 54 | 84 83 dd 1H J 19 141 | 79 78 dd 1H J 46 82 | 77 76 m 2H | 74 74 ddd 1H J 20 82 101 | 73 72 dt 2H J 9 86 | 29 28 tdd 2H J 9 17 82 | 28 27 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1COCCN1c1cc(N2CCOC[C@@H]2C)nc(N)n1
ir: 6 4 4 3 7 4 6 7 2 6 2 3 1 5 2 4 1 5 4 2 3 4 2 5 4 5 5 2 5 3 3 3 8 9 11 10 14 17 7 10 5 8 5 7 11 4 7 3 2 4 2 3 2 2 2 1 2 2 4 1 2 7 6 14 13 19 15 11 4 3 4 4 7 6 2 6 3 1 4 13 4 1 1 1 1 0 1 1 1 2 2 2 3 3 3 2 2 3 2 5 2 2 2 1 0 2 3 2 0 2 2 2 2 3 2 2 1 1 3 3 1 1 2 2 1 2 3 2 3 7 2 2 1 2 3 4 3 3 4 5 5 6 9 9 4 24 36 49 17 13 4 6 4 0 0 2 3 3 4 9 29 25 13 6 3 2 2 2 1 0 1 1 1 0 1 1 0 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 2 1 0 0 1 2 2 2 6 5 1 1 15 3 2 2 1 1 0 1 1 1 1 1 1 1 2 3 3 5 11 3 4 3 1 0 1 1 0 0 1 8 100 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 64 64 s 2H | 52 51 s 1H | 39 37 m 11H | 36 36 m 4H | 13 13 d 6H J 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(O)(CC)c1ccc(OC)cc1
ir: 9 2 5 2 1 2 2 2 1 3 1 3 2 2 4 5 3 6 2 2 2 2 2 1 1 1 1 3 1 2 1 0 1 1 10 1 1 1 1 0 1 3 6 4 1 1 1 1 1 1 2 0 9 14 100 21 3 1 11 4 4 3 3 6 4 15 2 2 1 5 14 5 4 5 8 2 12 7 15 15 17 2 2 1 2 2 4 12 21 4 8 4 6 8 18 9 4 2 5 3 2 1 1 1 1 1 2 2 2 1 2 2 7 3 10 4 8 5 7 5 2 5 12 5 8 5 7 26 3 5 1 3 2 2 6 5 1 1 1 1 1 1 0 0 1 1 1 0 8 19 11 15 3 6 4 1 1 1 1 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 4 5 5 28 13 37 84 22 5 1 2 2 3 5 64 6 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 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: 72 72 m 2H | 69 68 m 2H | 38 38 s 2H | 34 34 s 1H | 21 20 dq 2H J 74 147 | 18 17 dq 2H J 74 146 | 9 8 t 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cc(-c2ccncc2)ccc1Cl
ir: 6 3 0 3 79 2 7 3 2 3 5 5 37 4 3 3 3 7 3 3 3 9 2 3 3 2 2 3 3 2 3 3 7 12 5 7 3 11 4 3 3 1 2 5 9 20 4 2 3 4 3 2 3 3 12 38 3 12 2 4 3 2 7 3 4 6 12 5 16 5 4 19 21 52 6 4 3 4 5 4 5 18 5 8 1 34 11 1 5 6 3 5 25 4 5 3 3 3 2 2 4 3 2 3 7 13 27 19 4 3 3 23 16 4 1 5 4 3 4 19 7 6 3 4 3 3 2 4 3 3 3 3 3 3 2 3 3 4 19 5 3 3 2 3 7 6 14 30 22 39 6 6 3 4 5 4 3 18 9 4 3 3 3 4 12 1 3 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 3 3 3 14 2 3 3 3 2 3 3 3 2 3 3 12 18 12 21 21 100 17 5 5 3 3 3 3 3 3 3 2 2 3 3 3 3 3 3 2 3 2 2 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 87 87 m 2H | 82 81 d 1H J 21 | 77 77 dd 1H J 20 84 | 77 77 d 1H J 84 | 76 76 m 2H | 33 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(=O)N2[C@H](CNC(=O)c3cccc4c3OCCO4)C[C@@H]3C[C@@H]32)c(-c2cccc(F)c2)s1
ir: 2 1 2 5 6 2 3 2 1 3 5 3 3 2 1 2 2 2 2 2 5 4 3 2 3 2 4 4 16 7 7 4 4 6 3 9 16 9 13 8 10 17 11 10 9 8 26 39 17 10 4 4 3 4 4 4 2 3 2 1 3 6 23 11 8 12 4 3 3 3 2 3 2 4 3 1 6 9 3 4 2 9 7 11 4 2 1 1 1 1 1 3 2 3 6 6 7 5 4 4 3 4 1 2 2 1 5 8 5 1 0 1 1 1 0 2 1 3 1 4 6 5 2 4 6 5 2 9 7 3 13 5 1 2 10 2 57 2 4 12 36 4 3 11 14 40 45 27 10 3 3 6 26 2 5 7 2 1 2 3 4 2 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 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 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 1 3 2 1 4 6 3 5 7 8 8 100 27 5 3 8 2 2 1 1 1 1 1 1 1 1 1 1 1 1 4 3 2 2 5 7 19 33 8 2 3 1 1 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 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 0 0 0 1; 1HNMR: 77 77 t 1H J 62 | 76 75 m 2H | 75 74 td 1H J 50 75 | 72 72 dt 1H J 21 121 | 71 70 m 2H | 70 69 dd 1H J 16 82 | 44 43 m 3H | 43 43 m 2H | 39 38 ddd 1H J 42 62 121 | 36 35 m 2H | 29 29 s 2H | 21 20 dt 1H J 34 128 | 19 18 ddd 1H J 46 53 68 | 18 17 dt 1H J 53 128 | 17 16 ddd 1H J 44 55 68 | 14 14 qdd 1H J 33 44 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc3c(c(N4CCc5c(OCC(=O)O)cccc54)n2)CCC3)cc1Cl
ir: 1 1 3 2 2 1 2 2 1 2 2 3 9 5 8 3 2 6 3 4 9 44 14 10 4 3 3 5 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 7 5 3 16 36 7 1 2 3 3 4 6 4 1 2 2 2 2 1 1 2 2 2 1 0 1 1 1 1 2 3 9 16 9 3 7 3 3 6 4 2 4 5 1 1 1 1 2 1 2 1 1 2 4 1 1 1 0 1 1 1 4 1 4 1 2 1 1 1 2 1 1 2 2 2 1 2 2 15 7 1 1 1 0 1 2 1 0 0 0 1 3 3 5 14 5 9 28 0 1 3 28 23 13 39 15 4 6 4 1 3 10 5 1 1 3 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 2 1 1 1 1 1 1 3 17 4 9 31 6 3 2 2 2 0 4 15 65 100 12 2 2 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 72 71 m 2H | 67 67 dd 1H J 11 82 | 67 66 dd 1H J 12 74 | 47 46 s 2H | 42 41 t 2H J 52 | 39 39 s 2H | 31 30 m 2H | 30 29 m 2H | 28 26 m 2H | 24 24 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc2c(c1)C(N)C(O)C(C)(C)O2
ir: 4 2 2 4 7 5 4 13 15 9 2 14 23 16 15 14 22 10 7 13 25 9 5 8 16 20 7 7 10 6 2 4 3 2 4 7 21 17 3 6 3 1 4 12 6 1 3 4 3 0 3 3 5 5 16 15 14 23 3 3 5 8 3 11 12 10 7 22 23 15 41 23 27 34 4 9 2 5 5 24 28 2 3 4 6 8 6 25 40 22 22 9 3 3 4 7 3 3 5 5 2 2 4 2 0 1 3 3 5 4 7 2 1 4 3 4 12 12 12 5 3 4 6 5 13 10 9 5 9 27 15 11 35 52 18 5 3 4 3 4 7 16 9 5 7 9 2 1 2 4 3 11 5 5 3 1 2 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 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 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 1 1 2 2 1 2 4 3 3 4 13 11 9 6 19 18 3 3 5 4 15 53 34 5 2 3 3 7 12 16 12 6 5 12 6 3 49 100 12 2 2 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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 0; 1HNMR: 80 79 dd 1H J 7 19 | 78 78 dd 1H J 20 79 | 71 71 d 1H J 79 | 42 42 m 1H | 40 39 ddp 1H J 16 59 73 | 37 37 d 1H J 55 | 26 26 s 2H | 24 24 d 2H J 49 | 14 13 d 3H J 16 | 13 13 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C(CCOCCC=Nc1ccccn1)=Nc1ccccn1
ir: 1 1 1 13 12 3 4 2 6 7 7 2 2 1 1 1 1 1 1 0 0 1 1 0 0 1 2 1 2 1 1 1 1 1 1 2 2 1 8 31 13 6 2 0 16 14 3 1 2 3 1 2 2 14 34 2 2 4 3 1 1 1 1 3 6 2 3 4 4 15 6 3 1 5 5 3 4 2 5 5 2 2 8 2 1 1 0 1 2 4 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 0 0 3 2 3 2 3 2 1 1 2 8 5 5 1 2 1 3 1 2 0 1 1 1 0 1 1 2 7 17 100 26 5 2 2 1 0 1 2 1 2 14 16 5 17 10 12 4 3 2 4 20 6 2 2 0 1 1 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 2 2 2 2 2 2 1 1 1 2 11 9 4 12 66 35 7 3 3 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 dd 2H J 17 35 | 80 80 tt 2H J 9 71 | 78 77 ddd 2H J 17 68 77 | 72 71 ddd 2H J 14 36 68 | 71 71 dd 2H J 15 79 | 37 37 td 4H J 9 57 | 28 28 dt 4H J 57 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)s2)C1
ir: 6 13 5 7 2 2 4 3 3 5 4 2 2 1 4 6 2 2 3 3 3 1 2 1 1 2 3 2 3 1 2 1 1 1 1 1 1 1 1 1 3 14 4 2 2 3 7 5 4 8 5 1 3 2 4 3 17 6 3 3 6 7 3 4 10 37 9 1 1 2 2 2 2 5 8 6 5 3 22 25 3 3 2 15 3 11 3 38 20 6 4 3 5 7 7 2 2 4 2 3 11 100 20 7 2 7 14 6 3 3 4 1 1 32 14 3 4 2 3 3 2 5 4 3 1 2 1 2 2 2 4 4 3 2 2 2 1 1 1 1 1 1 2 3 15 4 2 12 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 2 3 10 4 1 0 5 10 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 20 60 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; 1HNMR: 74 74 d 1H J 77 | 71 70 d 1H J 77 | 61 61 d 1H J 99 | 41 41 q 2H J 66 | 38 37 m 1H | 34 33 m 2H | 30 29 m 2H | 29 28 dddd 1H J 18 51 70 128 | 28 27 m 1H | 21 20 dddd 1H J 33 52 70 120 | 18 17 ddt 1H J 51 70 120 | 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.
CC(C)(COC1CCCCO1)C(=O)O
ir: 2 3 4 3 2 6 3 2 4 5 4 10 10 7 10 8 6 6 11 5 9 38 100 22 14 7 6 9 5 6 4 3 3 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 3 2 1 2 2 1 1 2 1 2 2 2 1 2 3 3 11 11 3 2 7 5 10 9 17 19 53 30 15 13 9 9 11 18 3 2 4 3 4 3 2 2 2 2 3 2 2 2 2 2 3 1 1 1 1 2 2 3 3 2 3 4 2 4 8 11 9 7 9 17 7 7 4 4 2 4 3 4 2 2 2 1 1 1 1 1 1 0 1 1 1 1 7 7 20 4 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 2 1 2 4 2 3 2 2 3 2 3 7 5 16 8 3 1 1 0 1 1 1 0 0 1 11 4 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: 47 47 t 1H J 29 | 39 38 d 1H J 113 | 38 37 m 3H | 36 35 m 1H | 18 16 m 2H | 16 14 m 3H | 13 12 d 6H J 150
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(COc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C(=O)O
ir: 2 3 1 2 7 2 1 1 1 1 2 3 6 5 7 5 4 8 8 14 19 29 98 58 16 8 5 3 2 7 6 3 1 1 1 0 0 2 2 1 2 3 4 0 2 8 37 21 6 2 2 4 16 12 10 1 1 2 1 1 2 2 1 2 1 5 8 6 9 10 11 5 6 6 3 1 11 27 18 10 4 5 5 6 1 0 2 4 6 3 3 3 12 7 6 2 2 3 2 1 1 1 1 0 0 1 2 3 4 4 25 16 12 3 2 1 2 1 1 3 1 1 2 2 1 1 1 2 1 1 0 2 2 2 2 6 5 1 1 5 12 17 12 5 7 7 5 3 4 5 3 4 6 5 19 40 36 7 5 1 2 2 2 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 2 2 1 1 2 2 5 8 12 15 100 67 8 5 4 3 1 1 4 22 21 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 0; 1HNMR: 75 74 dt 1H J 9 84 | 74 74 d 1H J 22 | 73 72 m 3H | 72 71 t 1H J 80 | 71 71 m 1H | 67 67 dd 2H J 21 80 | 66 65 t 1H J 21 | 53 52 d 1H J 8 | 52 52 d 2H J 7 | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1ccc(N2CCC(=O)C2)cc1
ir: 2 18 6 22 5 17 7 7 5 8 8 12 12 16 29 14 21 2 2 3 2 3 1 1 2 1 1 1 3 6 17 4 4 12 6 4 3 1 1 2 5 3 6 11 6 4 6 1 3 2 3 1 6 57 36 99 29 16 29 15 5 5 9 8 16 18 6 2 1 1 11 3 1 0 1 2 1 7 2 1 0 1 2 3 4 3 4 3 2 3 3 12 8 15 13 2 4 21 10 12 5 2 5 4 1 1 1 2 2 3 8 6 9 11 12 6 10 100 14 15 10 21 58 29 23 9 9 10 9 13 19 12 7 3 2 1 1 1 1 1 3 3 5 34 57 30 11 3 6 2 10 19 41 21 37 14 2 1 1 0 0 1 2 4 28 5 2 2 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 2 4 6 2 3 10 6 12 3 3 5 4 6 10 35 19 18 39 89 38 9 3 4 3 1 2 2 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 69 68 m 2H | 41 41 m 2H | 37 37 m 2H | 28 27 dd 2H J 34 41 | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(Br)C(=O)c1ccccc1
ir: 0 2 3 2 0 1 3 1 0 2 3 1 1 3 8 3 2 4 46 29 4 5 5 8 7 3 19 11 4 11 9 22 64 69 71 15 11 15 5 5 4 6 16 5 2 5 3 4 4 18 7 2 2 3 2 1 2 16 4 1 2 3 4 8 2 2 2 6 12 10 9 15 31 32 20 13 7 24 10 17 7 5 1 2 2 2 1 1 2 2 0 1 3 2 2 3 3 2 1 2 3 2 1 1 3 2 2 2 6 4 2 3 3 8 5 7 10 21 56 23 6 3 8 18 24 8 2 6 8 5 2 3 5 3 32 5 3 3 2 3 3 16 48 72 53 64 43 9 5 1 1 2 2 1 1 3 2 0 1 3 3 3 2 3 2 1 2 3 1 0 2 2 1 0 2 4 2 1 2 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 3 2 2 2 3 3 1 3 4 2 2 7 5 10 5 13 23 52 100 43 28 13 8 4 3 2 2 4 3 3 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 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 80 dq 2H J 17 84 | 76 75 m 1H | 75 74 m 2H | 61 61 s 1H | 39 38 dq 1H J 62 123 | 38 37 dq 1H J 63 124 | 13 13 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1c(-c2ccccc2)nn2ccccc12
ir: 2 2 1 2 7 3 15 7 11 16 7 13 4 14 6 6 4 9 20 15 23 79 91 28 15 25 14 7 6 8 4 4 19 21 19 5 2 9 3 3 8 34 38 8 29 60 48 25 15 2 5 5 3 1 2 4 2 0 6 3 2 1 7 9 3 0 14 24 27 9 2 3 2 9 19 12 13 33 81 26 13 12 10 10 4 2 3 5 5 3 3 2 1 3 3 3 2 2 5 4 2 7 3 3 1 2 2 2 1 2 3 2 1 9 6 2 3 2 4 16 4 9 6 8 10 4 2 3 5 41 17 8 2 32 29 48 80 28 9 6 8 10 26 76 73 100 37 12 16 8 6 9 6 10 9 0 1 3 2 0 3 0 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 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 2 1 1 2 2 1 4 3 3 2 3 3 3 2 6 14 19 27 32 90 41 26 68 40 8 6 5 2 89 45 7 4 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 dd 1H J 16 70 | 78 78 dd 1H J 14 92 | 76 75 m 2H | 74 73 m 4H | 72 71 td 1H J 13 72 | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1Sc2ccccc2N(CC(N)=O)C(=O)C1NC(=O)c1cc2ccccc2[nH]1
ir: 2 3 5 3 5 3 3 5 3 8 13 4 5 5 4 4 3 4 5 6 5 5 4 3 9 6 12 8 3 10 16 6 17 10 10 3 4 6 4 5 18 0 34 22 8 9 3 6 3 6 4 4 4 4 4 2 3 3 3 2 3 4 3 3 4 4 2 2 3 4 3 2 3 3 4 4 4 5 3 3 3 4 4 6 3 4 4 3 3 3 2 2 3 3 2 3 6 3 2 3 4 6 3 18 6 4 4 3 4 3 5 5 3 4 5 5 5 3 5 4 4 5 5 3 8 17 11 4 3 4 5 5 5 8 6 5 5 5 3 3 3 13 7 2 3 6 7 21 10 4 24 14 4 3 4 3 4 10 81 10 7 2 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 4 3 3 3 5 6 5 6 6 5 6 26 13 9 5 3 3 4 3 2 3 3 3 2 3 4 2 2 17 12 5 5 6 4 5 12 9 14 16 5 12 11 100 6 7 3 3 3 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 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 97 97 s 1H | 77 76 ddd 1H J 13 23 67 | 75 74 m 2H | 74 73 m 3H | 73 71 m 3H | 70 70 d 1H J 21 | 69 69 s 2H | 51 51 m 1H | 45 44 d 1H J 152 | 44 44 d 1H J 150 | 38 37 dddd 1H J 15 30 70 84 | 20 19 dp 1H J 63 125 | 10 10 dd 3H J 15 62 | 10 9 dd 3H J 15 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccccc1)N(CCCI)c1ccc(F)cc1
ir: 3 2 1 2 3 3 3 7 4 2 6 2 2 2 10 8 13 3 1 2 2 1 1 2 2 3 1 4 3 2 6 55 3 2 2 3 3 2 2 4 41 5 2 3 4 2 2 3 2 1 1 2 2 3 15 6 2 1 3 8 6 2 3 3 17 4 3 3 8 19 4 2 1 1 2 3 3 5 6 2 2 2 5 5 14 83 8 6 2 3 5 3 1 2 3 2 2 6 5 3 1 1 2 1 1 1 2 1 0 1 2 1 1 3 4 2 1 2 2 3 4 3 3 2 2 2 2 1 1 2 2 2 2 3 14 2 1 2 2 1 1 3 6 5 4 3 4 5 72 4 2 6 3 2 2 1 1 3 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 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 2 0 1 3 2 0 3 13 5 6 18 100 23 7 4 1 2 2 3 1 2 2 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 79 tt 1H J 14 74 | 77 77 m 2H | 76 75 m 2H | 73 72 m 2H | 71 70 ddt 2H J 17 86 100 | 37 36 t 2H J 60 | 33 32 t 2H J 56 | 22 21 p 2H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(C2CNCc3ccc(Cl)nc3O2)c1
ir: 0 7 16 7 1 14 44 7 7 12 16 11 5 10 14 5 5 21 14 4 2 27 49 3 2 11 11 4 19 29 11 4 10 18 18 37 10 13 25 14 7 22 31 15 23 29 16 2 21 25 13 8 10 70 39 20 9 13 21 37 19 21 11 3 14 31 54 33 20 16 8 4 16 32 13 7 13 13 5 2 12 19 7 4 12 11 7 37 57 29 6 5 12 13 6 12 19 20 8 10 18 9 3 8 18 9 0 6 15 9 3 9 37 100 44 32 16 9 3 14 19 8 4 12 90 45 8 12 21 14 4 10 13 5 41 33 12 6 18 11 13 3 3 11 18 13 9 23 20 37 68 27 9 3 5 11 10 17 12 9 39 9 8 14 7 1 6 13 7 0 6 13 6 0 7 12 6 1 7 12 5 1 8 11 5 1 8 11 4 2 9 11 4 2 9 10 4 3 9 10 3 3 10 9 3 4 10 9 2 4 11 8 2 5 11 8 2 5 11 7 1 6 12 7 1 6 12 6 0 7 12 6 1 7 12 6 1 7 11 5 2 8 11 5 2 8 10 4 3 8 10 4 3 9 10 4 3 9 9 3 4 10 9 3 4 10 8 2 5 11 10 4 6 11 8 2 6 12 9 3 9 13 16 3 12 18 32 35 44 33 13 8 11 14 8 3 8 11 6 3 8 10 5 3 8 14 47 37 14 10 4 4 9 9 4 4 9 9 3 4 10 8 3 5 10 8 3 5 10 8 2 5 11 7 2 6 11 7 2 6 11 6 1 6 11 6 2 7 11 6 2 7 10 5 2 7 10 5 3 8 10 5 3 8 9 4 4 8 9 4 4 9 9 4 4 9 8 3 5 9 8 3 5 10 8 3 5 10 7 3 6 10 7 2 6 11 7 2 6 11; 1HNMR: 84 84 d 1H J 52 | 76 76 dt 1H J 9 79 | 73 72 d 1H J 21 | 72 71 m 1H | 68 67 d 1H J 78 | 54 54 dd 1H J 38 45 | 42 41 m 2H | 37 36 ddd 1H J 41 70 146 | 35 33 m 2H | 24 23 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(N)=O)cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)n1CC1CCCCC1
ir: 1 1 3 3 1 3 4 5 2 17 10 3 3 3 15 7 27 8 4 4 9 12 100 10 5 3 2 3 3 4 2 3 2 5 2 2 14 4 3 0 2 4 8 13 53 62 9 6 2 3 2 3 2 3 2 5 2 3 2 4 3 4 6 4 6 6 6 16 23 8 6 3 5 6 7 8 3 8 1 3 1 2 1 1 2 2 2 1 4 6 2 1 2 2 1 2 5 3 1 2 2 2 2 4 3 3 5 1 3 8 7 16 16 12 5 28 24 6 10 6 17 5 2 5 3 3 7 6 9 6 6 8 7 8 4 8 3 6 3 2 2 1 1 2 2 1 2 6 14 5 2 3 2 1 1 3 3 19 90 13 2 2 1 6 4 8 3 5 2 2 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 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 2 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 2 4 2 3 5 4 3 7 7 6 23 32 11 22 46 26 32 7 3 3 3 2 1 1 2 1 1 2 2 1 0 11 21 2 2 1 1 1 2 2 2 2 1 4 89 65 3 2 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 1 1 1 1 1 1 1 1 1 1 1 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: 76 75 t 1H J 22 | 73 73 d 2H J 22 | 72 72 s 2H | 62 62 s 1H | 41 41 d 2H J 49 | 23 23 s 3H | 18 17 m 1H | 17 13 m 12H | 13 13 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(Oc2nc(Cl)nc3ccsc23)c(C)c1
ir: 1 1 1 1 1 1 1 1 1 1 0 1 1 1 4 4 3 1 1 1 3 1 1 1 1 2 1 1 1 0 1 3 2 0 1 4 4 3 100 19 9 6 8 4 2 2 3 0 1 2 2 0 1 2 1 0 1 1 1 0 1 4 2 1 1 1 1 1 1 3 3 1 4 5 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 5 7 5 1 1 0 0 1 1 3 2 1 1 1 1 1 1 2 5 2 1 0 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 5 26 1 0 1 1 5 10 1 1 1 17 24 3 1 2 3 36 3 2 0 25 50 2 2 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 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 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 4 3 3 5 10 4 5 4 6 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 d 1H J 53 | 74 74 d 1H J 53 | 69 69 s 2H | 23 23 s 3H | 21 21 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CBr)c3Cl)cccn2c1Br
ir: 2 1 4 2 1 1 1 1 1 2 4 2 1 1 2 1 1 1 1 1 1 2 1 2 2 3 6 7 9 12 6 8 4 3 5 3 2 3 2 2 3 2 1 1 4 13 4 16 9 7 2 4 3 4 9 2 3 2 1 0 1 1 1 1 1 1 2 2 1 1 1 1 3 2 1 1 3 2 1 1 2 9 1 1 1 1 1 1 3 1 1 1 1 3 0 2 2 1 1 2 2 1 0 2 4 1 0 2 2 1 1 1 1 2 1 2 2 2 2 3 6 9 3 2 2 3 1 9 15 5 4 8 5 2 0 2 3 1 2 12 9 20 4 7 100 17 19 0 2 11 7 3 1 1 1 1 1 3 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 2 3 4 2 5 10 8 32 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 5 3 9 24 20 4 3 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 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 0 1 1; 1HNMR: 82 81 dd 1H J 15 79 | 75 74 m 2H | 72 71 dd 2H J 76 84 | 71 70 dd 1H J 15 82 | 53 53 s 2H | 40 40 d 2H J 53 | 39 39 s 2H | 35 35 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CC(=O)Nc1ccc(NCCCC2CCCO2)c(F)c1
ir: 1 2 1 2 3 6 5 12 13 15 14 18 10 9 11 7 7 2 5 2 3 5 3 2 1 1 2 1 3 4 3 2 3 10 12 17 3 3 3 1 1 2 1 2 3 3 3 2 5 7 6 12 8 8 6 3 6 1 1 2 2 3 2 3 2 2 5 14 24 7 6 9 4 3 1 1 3 2 1 0 0 1 0 0 1 1 1 1 2 2 1 1 1 2 0 0 1 2 3 1 4 15 12 7 4 5 9 5 2 2 3 2 3 4 7 7 6 7 5 5 4 9 13 5 5 6 10 9 5 3 1 3 4 9 3 6 14 6 2 6 7 11 6 6 7 4 51 15 5 4 50 40 40 29 24 7 4 3 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 1 1 1 3 6 5 3 2 2 2 3 3 15 13 9 6 24 14 4 2 2 2 1 1 1 1 2 1 1 1 3 2 2 2 2 4 3 8 14 12 100 22 38 11 4 3 5 7 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 100 99 s 1H | 75 75 dd 1H J 22 79 | 73 72 dd 1H J 21 121 | 69 68 dd 1H J 47 79 | 51 50 td 1H J 38 49 | 38 37 m 2H | 37 36 m 3H | 34 33 m 2H | 23 23 s 2H | 20 19 ddddd 1H J 32 49 65 79 126 | 19 18 m 2H | 17 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(F)cc2cn[nH]c12
ir: 17 7 5 5 2 3 3 3 2 3 2 81 12 3 2 3 4 4 2 3 3 2 2 3 3 2 2 8 3 3 3 3 3 3 6 16 5 3 3 2 2 6 5 61 100 0 2 5 3 1 3 4 3 1 2 3 3 1 2 3 3 13 7 4 3 22 17 7 8 2 3 3 2 2 3 4 4 2 3 3 2 2 3 3 2 40 10 2 2 2 5 22 7 3 2 3 41 7 2 2 5 58 13 3 1 2 4 7 6 8 5 15 1 5 4 2 1 2 4 15 2 3 3 6 2 3 3 3 1 3 4 4 34 3 1 3 3 2 2 3 3 3 3 2 5 6 31 20 5 2 3 3 3 2 2 3 6 2 2 5 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 3 4 5 4 9 12 6 5 5 4 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 10 9 2 2 3 14 68 9 3 2 3 3 5 3 4 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; 1HNMR: 85 84 d 1H J 16 | 77 76 dd 1H J 22 121 | 74 74 dt 1H J 19 121 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCc1ccc2sc3ncnc(Cl)c3c2c1
ir: 6 6 7 7 7 6 6 6 6 6 6 7 14 9 7 7 6 6 5 6 6 6 6 14 7 5 7 6 6 5 8 12 8 3 100 5 6 6 7 11 36 10 55 11 6 7 6 5 6 7 6 19 7 5 10 6 7 8 6 5 7 8 6 11 7 8 6 14 11 7 6 6 7 7 6 5 7 7 6 7 8 10 8 8 8 9 20 14 14 27 53 57 15 20 25 12 7 8 7 9 8 7 6 6 5 14 6 6 7 7 8 6 6 6 6 6 7 7 16 23 5 7 9 76 8 7 6 6 6 6 6 6 6 6 6 12 6 6 6 6 6 6 6 8 56 8 9 7 7 12 7 5 6 12 37 57 11 3 5 7 6 0 9 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 5 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 6 5 6 6 5 5 6 6 5 6 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 6 6 6 6 6 6 7 6 6 7 7 7 6 6 7 7 7 7 7 6 7 13 12 9 11 22 8 14 9 11 6 14 36 10 9 8 6 6 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6; 1HNMR: 89 88 s 1H | 82 81 d 1H J 77 | 77 77 dt 1H J 9 24 | 72 72 m 1H | 38 37 q 2H J 57 | 29 28 tt 2H J 8 56 | 17 17 t 1H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)Oc2ccc3cc(N)c(Cn4cncn4)cc3c21
ir: 5 20 12 20 14 38 17 8 6 3 5 3 3 3 3 4 10 3 3 2 3 2 4 4 5 5 6 11 3 2 4 4 9 15 11 9 38 39 6 2 7 5 15 12 32 7 5 8 17 15 10 5 4 9 27 3 2 2 3 7 6 6 9 12 20 8 19 27 43 22 5 3 12 18 8 6 5 5 11 8 3 3 8 32 4 3 5 3 1 3 3 4 4 9 5 7 17 40 47 27 18 25 27 9 5 4 3 5 11 2 4 2 2 4 16 7 9 10 27 16 3 48 39 5 5 6 5 3 31 8 34 16 15 3 3 3 3 2 3 3 3 4 3 3 30 4 2 4 5 4 3 3 3 2 3 1 26 59 69 18 4 0 2 4 3 1 2 4 12 3 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 3 4 4 7 3 4 2 4 3 3 6 4 7 7 9 25 54 14 36 88 100 25 39 16 14 6 3 2 2 3 3 2 2 1 2 3 2 9 80 2 2 3 2 1 2 2 2 2 4 26 15 2 4 3 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 82 82 dt 1H J 8 17 | 78 77 dd 2H J 15 83 | 76 76 dd 1H J 21 76 | 72 71 d 1H J 78 | 71 71 d 1H J 24 | 56 56 d 2H J 9 | 53 53 s 2H | 17 16 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C(C(=O)Nc2ccc(F)cc2)Sc2ccccc21
ir: 3 3 5 4 1 7 6 9 8 8 8 13 4 4 4 5 2 3 3 2 2 4 7 3 9 5 11 12 8 16 12 14 10 21 11 4 2 21 16 31 5 26 33 49 14 2 4 5 10 4 4 4 3 3 12 25 21 17 6 6 3 4 2 0 2 3 2 1 4 6 2 1 2 3 2 6 3 3 1 1 3 3 14 2 3 5 6 3 3 5 1 1 3 3 1 2 4 3 2 4 4 4 3 4 67 6 4 2 3 7 9 5 4 3 2 11 6 5 3 3 3 3 1 3 8 34 36 7 5 2 4 3 4 3 1 3 7 4 2 3 3 4 6 27 5 11 25 15 100 72 48 4 8 7 8 6 3 2 4 35 5 2 27 4 2 0 1 3 2 0 1 3 1 0 1 3 2 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 3 2 0 2 3 2 1 2 3 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 3 2 1 1 2 2 1 2 2 2 1 1 3 2 8 20 15 5 3 10 7 26 22 16 20 10 8 4 4 2 1 4 4 2 2 3 3 2 2 3 3 2 2 4 8 7 23 34 14 4 3 3 3 1 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 75 75 m 2H | 74 73 m 2H | 73 72 m 2H | 72 71 m 2H | 52 52 s 1H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cnc2c(c1)NCCC2
ir: 11 3 5 5 0 5 7 14 15 8 5 3 2 5 22 15 19 5 5 2 1 4 5 3 2 4 5 5 4 5 3 2 2 4 6 11 9 11 5 3 7 5 9 1 3 6 5 2 2 6 7 7 10 10 3 2 3 5 3 0 4 17 17 29 9 4 7 11 4 5 2 3 4 4 2 2 3 4 2 2 3 4 2 4 6 10 4 8 9 8 6 7 8 5 1 2 9 7 6 3 4 3 2 2 4 15 12 5 6 3 1 4 8 6 9 6 7 11 10 27 14 6 7 8 11 5 5 9 7 3 4 12 29 44 16 10 7 4 3 5 5 11 34 33 6 2 3 6 25 5 4 4 4 3 19 24 8 3 14 14 5 2 3 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 5 3 3 3 6 4 4 3 4 3 2 3 5 6 5 13 16 7 15 17 7 6 4 3 5 3 2 3 4 3 2 4 4 3 2 4 4 5 6 12 14 56 100 56 18 13 6 6 7 3 3 4 4 2 4 4 4 2 3 4 3 2 2 4 3 1 2 4 3 1 3 4 3 2 3 4 3 1 3 4 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 4 3 2 2 4 3 2 3 4 3 2 3 4; 1HNMR: 82 82 dd 1H J 21 41 | 74 73 dd 1H J 40 79 | 70 70 dd 1H J 21 80 | 53 52 t 1H J 43 | 35 34 m 2H | 29 29 m 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(=O)O)c1ccc2c(=O)c3ccccc3ccc2c1
ir: 1 1 2 1 0 3 9 3 3 3 3 4 7 34 22 2 17 29 24 14 24 69 37 11 7 8 5 9 12 9 1 5 4 6 4 1 9 1 1 5 6 46 40 6 1 2 1 2 1 1 1 1 1 5 10 14 3 1 3 3 1 1 2 1 2 3 3 2 4 3 3 6 6 8 8 5 48 25 40 8 4 6 7 6 11 4 3 8 2 2 1 3 9 17 2 1 9 3 1 1 3 2 1 3 8 6 1 1 2 1 2 2 5 2 3 2 2 2 3 4 6 9 10 6 5 2 2 1 7 8 3 1 1 56 1 4 4 5 1 4 4 1 0 64 9 2 3 7 2 3 7 5 11 2 2 10 6 4 0 1 1 6 1 3 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 0 1 2 1 0 1 1 0 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 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 13 2 0 9 7 10 44 27 30 8 6 2 0 3 2 27 100 39 18 3 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 m 2H | 77 77 m 1H | 77 76 m 2H | 76 75 td 1H J 14 79 | 75 74 m 3H | 38 38 m 1H | 15 15 d 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(I)ccc(F)c1C(=O)O
ir: 2 1 1 1 1 1 1 2 3 2 2 5 4 6 8 3 3 7 7 4 16 29 45 33 11 9 3 4 6 4 2 2 2 1 1 3 2 2 2 2 2 1 1 2 1 1 3 2 1 1 2 2 8 9 51 10 1 0 1 2 1 1 2 2 2 1 2 4 3 2 3 5 5 9 8 15 17 100 47 15 23 9 3 2 4 4 4 4 2 2 2 2 2 2 4 5 24 1 3 2 1 1 2 1 1 3 4 2 2 9 7 7 4 2 2 2 2 2 3 5 4 4 3 3 4 3 3 2 2 2 2 3 5 6 4 3 5 6 6 7 7 6 6 5 10 9 8 7 10 4 7 7 16 16 5 2 2 9 4 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 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 2 3 2 1 2 2 2 2 2 2 2 3 6 6 8 4 10 28 7 5 16 5 2 1 3 7 58 17 21 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 dd 1H J 48 75 | 70 70 dd 1H J 76 102 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Oc3cc4ccccc4nc3C)ccnc2cc1OCCN1CCOCC1
ir: 5 2 4 3 10 7 3 2 1 2 2 1 2 2 3 2 2 2 5 3 2 2 2 3 2 6 11 5 5 5 4 3 3 1 2 1 1 0 1 8 7 4 46 36 3 2 13 16 11 11 12 11 3 6 5 5 3 4 2 3 6 8 6 6 5 2 9 31 39 45 16 9 17 17 13 13 4 3 5 8 19 6 2 2 2 1 5 4 2 5 5 2 1 2 4 4 4 10 4 5 1 6 5 4 2 7 8 4 3 2 1 1 2 2 7 4 3 2 3 5 1 2 3 6 2 2 1 1 1 1 1 1 1 6 4 7 5 7 6 2 1 1 1 3 4 15 13 26 7 3 6 5 4 63 7 45 12 8 13 26 3 1 1 2 1 1 13 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 1 1 3 3 2 2 2 2 2 1 4 6 7 8 18 100 60 25 11 2 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 49 | 80 79 m 1H | 77 76 m 2H | 76 76 s 1H | 75 74 td 1H J 15 85 | 74 74 m 2H | 69 69 d 1H J 49 | 42 42 t 2H J 59 | 39 38 s 2H | 37 37 t 4H J 47 | 28 28 t 2H J 59 | 26 25 td 5H J 23 44 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(C(=O)CCCCOc2ccc(C(=O)C(=O)O)cc2)cc(C(C)(C)C)c1O
ir: 2 3 2 1 2 3 3 2 1 2 1 2 4 6 15 4 11 8 12 9 100 37 13 8 6 7 4 3 9 17 3 3 2 2 5 3 6 16 46 8 6 7 7 3 2 2 2 1 1 1 1 1 2 1 2 15 10 9 3 0 2 6 3 3 2 5 2 3 6 3 3 2 3 1 2 9 11 9 4 21 9 6 21 4 9 15 8 4 12 6 12 5 2 2 4 2 1 2 2 2 4 4 5 2 2 1 2 2 9 2 2 1 2 2 3 2 2 5 7 2 3 5 3 2 2 4 1 3 4 3 5 4 5 4 17 5 7 3 2 2 2 1 4 11 6 8 10 3 3 6 25 13 2 3 4 1 1 1 1 1 1 1 1 4 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 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 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 2 3 2 1 1 1 1 1 2 2 4 14 14 9 16 16 3 3 1 1 1 1 16 21 12 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 79 78 m 2H | 77 77 s 2H | 71 71 m 2H | 60 60 s 1H | 40 40 t 2H J 60 | 30 29 t 2H J 81 | 19 18 m 2H | 18 17 m 2H | 14 14 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(c(-c3ccccc3)n1)CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2
ir: 6 3 5 11 13 4 3 4 4 3 5 4 3 3 3 6 3 5 4 3 4 6 3 3 12 6 4 3 4 5 8 8 10 4 12 4 6 15 13 15 8 11 30 7 6 56 6 3 29 7 9 6 3 5 4 3 3 4 3 3 3 3 3 2 4 4 6 9 7 6 3 4 4 28 6 3 3 4 5 4 3 3 3 5 4 4 5 4 4 5 4 3 3 3 3 3 3 3 4 37 34 16 20 10 6 3 3 3 5 7 5 4 8 9 2 36 5 4 10 9 6 16 32 13 9 4 5 5 5 4 25 20 11 7 14 10 20 4 3 5 8 5 15 25 5 10 7 39 42 27 12 0 100 1 3 5 4 5 5 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 4 5 6 5 5 3 3 4 6 6 9 7 14 19 42 18 10 3 3 4 5 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 77 76 m 2H | 75 75 m 2H | 75 73 m 4H | 48 48 s 2H | 39 39 t 2H J 58 | 31 29 td 2H J 43 58 | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCc1ccc(O)cc1)c1ccccc1
ir: 2 3 1 4 2 2 2 3 2 2 2 2 2 1 4 3 7 4 2 5 6 1 1 1 1 2 2 3 2 2 4 3 5 24 27 11 3 0 12 6 3 12 5 5 2 1 2 1 1 2 8 5 2 4 8 37 14 5 3 4 1 0 1 3 1 0 2 4 3 13 1 1 1 1 2 3 1 2 30 100 70 29 4 1 2 2 14 11 22 3 4 4 2 1 2 5 2 2 1 2 1 1 1 1 1 2 3 2 3 3 2 2 2 3 4 8 9 6 4 3 5 5 4 2 5 9 19 5 2 11 24 2 4 4 5 2 2 2 2 2 3 10 53 17 15 11 26 20 15 4 2 3 13 3 1 1 1 2 1 1 2 3 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 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 1 2 1 1 1 3 3 2 1 2 1 1 2 3 5 9 7 42 58 40 9 5 4 3 5 8 48 28 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 76 75 m 1H | 75 75 m 2H | 71 70 dt 2H J 9 84 | 68 67 m 2H | 65 65 s 1H | 33 32 t 2H J 81 | 30 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1cccc(OC(F)F)c1
ir: 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 3 2 1 2 3 2 2 1 1 2 2 2 5 2 1 1 4 5 1 1 1 1 1 1 1 1 0 1 1 1 0 6 76 52 6 1 0 1 1 1 1 3 4 5 5 5 2 2 1 1 2 10 14 6 6 3 8 6 6 12 26 10 4 6 10 3 2 2 1 1 1 1 1 1 1 1 3 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 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 2 32 10 1 1 1 1 1 1 1 1 1 3 6 13 7 2 1 0 4 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 0 2 4 8 75 13 2 1 2 1 1 1 1 1 1 1 1 1 1 9 100 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 2H | 72 72 t 1H J 21 | 71 70 dt 1H J 20 69 | 67 66 s 0H | 31 31 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CC(NCc2ccccc2)CN1C(=O)OC(C)(C)C
ir: 21 13 13 15 19 32 27 22 17 16 19 32 20 9 20 11 4 11 10 11 9 10 5 10 12 8 14 7 14 33 10 22 18 13 17 20 25 41 55 60 55 30 22 16 15 20 12 13 5 4 5 8 5 3 7 19 11 5 12 14 7 1 9 11 8 7 14 17 22 15 10 12 13 8 7 13 13 6 7 6 3 3 4 4 2 3 4 5 8 13 9 6 5 6 8 12 9 22 13 11 4 8 11 10 9 15 9 33 28 18 21 22 15 31 16 27 46 35 38 23 12 32 34 25 29 23 14 14 29 22 17 24 57 58 37 37 41 16 12 9 4 7 24 50 100 10 9 6 7 8 67 31 18 9 6 1 2 5 4 0 2 6 3 0 3 6 3 0 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 4 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 3 8 10 5 3 5 11 7 4 9 14 12 12 10 24 48 32 60 50 38 12 8 6 5 4 6 6 4 5 6 5 5 3 8 11 9 25 22 92 88 34 9 4 6 4 4 3 3 3 3 3 3 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 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 74 72 m 3H | 72 72 ddt 2H J 8 18 75 | 44 43 t 1H J 65 | 39 39 ddt 1H J 9 51 139 | 38 37 m 2H | 37 37 s 3H | 35 35 dd 1H J 26 119 | 34 34 dtt 1H J 26 42 68 | 28 27 dt 1H J 51 70 | 23 22 ddd 1H J 42 64 132 | 21 20 ddd 1H J 42 64 130 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1c(F)ccc(OC(CO)c2nc(Br)cs2)c1F
ir: 6 4 3 6 7 10 21 8 6 6 1 6 6 3 6 5 2 2 1 2 2 2 2 5 1 2 2 2 2 9 4 2 2 1 1 3 3 1 2 4 2 6 4 2 1 0 1 2 4 3 5 0 6 12 35 56 7 3 3 5 2 0 1 2 1 1 3 4 2 5 4 3 2 0 2 2 3 1 5 22 10 6 14 18 6 12 5 11 14 5 6 5 2 4 3 3 5 16 8 3 0 1 3 5 13 2 2 2 0 3 6 5 3 2 2 1 1 2 2 2 1 3 3 2 2 4 2 2 1 2 5 2 4 15 39 1 3 2 5 5 4 6 3 1 4 5 9 2 3 3 3 1 3 11 26 100 27 14 9 3 3 9 33 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 3 3 3 2 3 5 9 1 10 4 9 7 5 15 42 23 6 10 10 10 10 24 17 2 3 4 1 1 3 3 2 8 3 3 1 2 2 2 1 1 3 3 8 48 19 9 4 2 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 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 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: 73 73 d 3H J 91 | 73 72 dd 1H J 85 102 | 71 70 dt 1H J 47 84 | 56 55 t 1H J 37 | 45 44 t 1H J 59 | 44 43 ddd 1H J 37 60 132 | 42 41 ddd 1H J 37 59 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)COc1cc(O)c2c(c1)OC(C)(C)CC2=O
ir: 4 1 0 2 3 4 1 2 2 2 1 2 2 1 1 3 3 2 2 3 3 2 5 4 4 2 4 4 10 16 42 30 19 4 3 4 2 1 1 5 16 3 2 3 7 29 2 2 1 1 1 2 3 6 10 3 1 1 2 3 4 1 3 6 6 11 30 28 13 7 6 3 3 2 4 2 1 1 1 2 1 1 2 1 1 1 2 4 3 11 27 13 34 11 6 4 3 2 10 4 2 4 10 10 1 7 5 4 5 4 7 7 2 2 2 2 1 6 4 8 12 4 6 2 3 2 2 1 2 6 10 2 1 2 2 3 18 3 2 1 0 1 1 0 1 3 1 0 1 1 6 8 1 2 3 1 12 53 4 2 4 100 3 5 2 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 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 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 5 3 1 2 3 2 1 5 14 14 9 3 29 16 3 16 59 43 16 8 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 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: 62 62 d 1H J 24 | 62 61 d 1H J 24 | 39 38 d 2H J 51 | 29 29 s 2H | 20 19 dtt 1H J 51 72 143 | 15 14 s 6H | 10 10 d 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CC(Oc2ncccc2Br)C1
ir: 6 9 1 2 3 2 5 3 2 2 3 2 2 1 2 2 2 1 1 1 2 1 0 2 3 4 3 6 7 15 15 3 3 2 8 10 76 21 5 14 15 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 0 1 2 4 9 11 7 12 2 1 1 1 5 1 1 1 1 1 1 1 2 8 4 3 2 2 5 7 11 4 5 3 2 1 1 1 1 2 3 5 4 5 8 5 5 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 2 4 3 7 3 2 1 1 2 4 5 24 55 21 15 4 22 29 7 2 12 87 8 3 2 3 6 51 8 6 9 36 100 34 14 5 3 35 52 4 6 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 0 1 1 1 2 3 3 2 1 1 2 2 5 4 2 4 2 15 5 25 14 18 10 13 5 14 2 1 1 1 1 1 1 1 1 1 1 2 5 5 1 2 4 4 11 32 45 42 18 7 4 2 1 2 1 1 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 81 dd 1H J 22 42 | 78 78 dd 1H J 21 80 | 72 71 dd 1H J 42 79 | 50 49 m 2H | 39 38 dp 1H J 53 66 | 24 23 dt 2H J 56 130 | 22 21 dt 2H J 56 132 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cc(Cl)ccc1OC1CCSCC1
ir: 1 1 2 2 3 11 9 2 1 2 1 1 1 1 1 3 2 2 1 2 2 4 2 2 2 1 4 9 33 18 11 3 2 3 11 8 2 2 2 0 1 2 3 1 3 3 3 1 1 2 4 2 3 15 36 21 4 5 7 7 21 11 9 4 3 2 4 2 4 4 2 1 2 6 2 1 3 6 7 2 2 4 4 5 9 3 3 5 1 1 1 1 1 1 1 2 1 1 3 5 2 3 10 7 3 4 15 39 14 28 16 8 6 5 3 2 11 7 20 6 5 3 8 5 3 2 1 2 3 3 3 2 2 1 1 1 1 14 29 7 3 1 1 2 1 1 2 9 9 7 2 3 29 16 2 3 4 26 5 2 3 8 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 8 2 2 2 8 4 6 5 4 2 4 4 3 48 15 13 21 100 19 5 3 5 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 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 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; 1HNMR: 79 78 d 1H J 22 | 74 74 dd 1H J 22 82 | 71 70 d 1H J 83 | 49 48 p 1H J 40 | 28 27 ddd 2H J 38 64 134 | 27 26 ddd 2H J 38 64 134 | 23 22 ddt 2H J 39 64 128 | 20 19 ddt 2H J 39 64 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2[nH]ccc(=O)c2cc1NC(=O)OCc1ccccc1
ir: 8 8 10 7 9 4 4 6 6 7 2 3 4 4 1 2 3 3 3 7 9 5 3 3 3 3 2 4 5 14 22 51 24 14 8 8 19 21 15 22 37 10 45 34 8 9 3 4 3 1 2 3 6 3 2 6 2 1 2 3 3 2 3 4 2 7 17 8 11 15 9 5 5 2 3 21 3 2 4 4 3 1 3 3 1 1 2 3 4 6 3 3 1 3 4 3 1 3 4 3 4 7 5 8 8 6 4 9 6 11 5 2 0 2 4 2 0 3 6 3 2 2 6 3 4 16 11 4 1 3 6 2 1 3 4 7 22 18 6 5 18 12 4 16 5 3 8 43 16 47 7 6 10 69 4 27 23 8 6 2 14 4 2 1 4 13 3 1 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 1 4 3 1 2 3 2 1 3 7 9 8 13 44 44 37 7 6 3 1 4 4 3 1 2 4 3 2 3 3 2 2 2 2 2 3 7 14 83 100 18 13 8 5 5 4 2 2 4 3 2 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 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 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 97 96 d 1H J 62 | 82 81 dd 1H J 60 71 | 80 79 s 1H | 76 76 s 1H | 74 73 m 6H | 66 66 d 1H J 71 | 65 65 s 1H | 52 51 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnc(C3=CCCCO3)cn2)cc1Cl
ir: 2 3 8 11 7 28 24 16 6 5 6 4 4 7 8 6 10 8 6 6 9 6 3 6 11 10 5 4 5 5 3 5 5 4 11 9 16 4 11 5 11 30 24 9 6 6 4 4 3 5 5 11 5 5 8 22 30 8 4 4 4 9 5 5 4 5 12 22 5 7 10 42 13 7 2 6 3 4 3 5 6 7 8 7 18 18 0 25 11 3 7 7 8 15 9 9 5 3 4 3 6 6 3 5 26 21 13 9 10 7 8 11 5 15 10 6 2 9 7 15 12 4 8 3 5 10 4 8 5 6 2 3 4 5 5 3 3 4 15 3 4 4 35 5 4 6 15 9 16 59 74 10 7 12 11 4 3 3 3 4 4 17 10 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 3 2 2 2 2 3 2 2 2 2 3 2 2 2 2 3 2 3 2 3 2 3 3 3 3 4 4 4 3 4 4 4 4 3 4 6 4 3 6 19 10 27 17 43 9 5 6 3 3 2 3 3 3 3 3 3 3 2 3 4 3 4 4 8 5 3 13 21 100 29 5 3 5 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 87 87 s 1H | 83 83 s 1H | 79 78 d 1H J 95 | 78 77 dd 1H J 7 22 | 75 74 m 1H | 57 57 tt 1H J 9 57 | 43 42 m 2H | 37 37 dd 1H J 71 80 | 33 32 s 3H | 22 21 m 3H | 20 19 m 3H | 18 17 m 1H | 17 15 m 4H | 15 14 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)c1ccc(CCl)cc1
ir: 9 11 9 5 3 5 13 11 5 8 7 4 2 6 6 9 12 12 11 4 3 7 9 4 3 7 7 9 6 6 5 4 6 11 19 14 25 44 29 35 37 31 25 10 13 12 9 8 8 9 8 2 8 23 38 5 58 41 17 8 5 6 5 1 4 5 3 4 15 13 10 2 6 5 3 2 5 5 3 3 5 6 5 4 6 7 32 59 15 7 6 6 6 5 3 5 7 14 8 7 8 5 2 4 6 6 1 5 15 9 5 6 14 25 13 6 11 15 12 8 11 14 8 72 32 57 47 17 8 8 8 10 23 31 27 10 7 6 4 5 7 5 10 18 58 58 24 13 7 17 17 17 19 8 4 7 4 2 3 5 4 0 12 4 3 1 3 5 3 2 3 5 3 2 3 4 3 1 3 4 2 2 3 4 2 2 3 4 3 2 4 4 2 2 4 4 2 2 4 5 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 8 8 4 3 5 4 7 7 6 6 7 7 7 9 23 34 16 33 100 37 20 10 0 6 13 7 2 6 6 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 77 77 m 2H | 75 75 dt 2H J 9 84 | 46 46 d 2H J 9 | 35 34 q 4H J 71 | 12 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)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(CC)cc2)=CC(C)(C)S3)cc1
ir: 4 9 5 11 7 5 9 6 5 3 10 7 4 15 9 7 12 7 3 4 4 7 6 1 2 3 7 2 4 3 2 3 2 4 2 2 1 3 1 2 2 1 2 2 2 2 4 7 13 4 2 10 12 48 35 47 18 33 44 5 8 6 5 6 10 14 4 3 6 23 19 2 6 4 2 1 2 3 4 0 6 3 0 1 4 2 2 6 9 8 22 21 5 4 1 2 2 2 4 5 5 2 0 1 2 2 0 1 3 4 2 7 35 19 8 7 20 20 5 8 15 9 4 7 11 18 11 4 29 7 3 2 2 1 1 2 1 1 1 2 7 6 19 82 27 13 9 45 12 57 18 15 30 6 5 5 12 4 1 2 1 1 3 1 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 2 2 4 2 2 2 2 2 3 4 3 2 4 12 9 12 56 70 100 91 68 11 11 22 8 4 6 5 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 m 2H | 76 76 d 1H J 22 | 76 76 m 2H | 76 75 d 1H J 63 | 75 74 dd 1H J 21 63 | 74 74 m 2H | 72 72 dt 2H J 9 80 | 64 63 hept 1H J 11 | 44 44 q 2H J 64 | 27 27 qt 2H J 9 73 | 16 15 d 5H J 10 | 14 14 t 3H J 64 | 12 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Cn1c(=O)ccn(CC(=O)OCc2ccccc2)c1=O
ir: 13 17 12 10 12 10 10 8 6 15 13 7 3 5 4 3 3 7 11 7 4 3 3 4 5 3 3 4 4 8 10 7 5 7 6 4 2 15 32 47 35 14 4 6 5 4 5 7 8 13 39 15 17 38 47 12 8 4 3 3 3 8 4 4 4 9 4 9 7 3 4 3 3 4 2 10 8 5 12 7 2 2 2 2 2 2 2 3 16 8 3 4 5 6 4 5 13 12 11 7 5 7 6 7 4 6 5 5 4 4 4 2 3 4 4 4 6 20 15 22 15 11 5 6 5 8 26 18 61 20 12 18 12 10 18 34 18 8 4 3 5 9 10 51 88 15 19 16 23 33 39 21 18 16 12 17 5 3 3 1 2 30 100 8 3 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 6 4 3 4 4 8 4 3 6 5 3 8 29 34 18 11 50 37 39 18 24 9 4 4 2 4 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 74 73 m 7H | 58 58 d 1H J 81 | 52 52 s 2H | 45 45 m 4H | 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)C(F)(F)Oc1ccc(SC)cc1
ir: 6 7 6 6 6 9 7 12 9 11 10 18 9 14 8 5 5 5 5 5 5 5 5 5 5 6 5 10 7 6 6 10 9 7 8 9 7 9 6 5 5 5 5 5 5 5 5 7 6 5 8 19 35 0 60 15 17 11 10 4 7 11 5 4 5 6 5 4 8 16 7 10 8 6 7 8 7 10 36 25 9 9 46 8 8 7 5 7 7 7 5 5 8 14 14 16 16 19 100 13 10 7 4 5 6 6 4 7 10 8 6 6 9 6 5 8 10 24 21 9 5 7 7 8 9 11 6 6 7 7 6 5 5 5 5 5 5 5 5 5 5 6 8 8 43 25 25 15 9 10 9 11 12 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 5 6 5 4 5 6 5 4 6 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 7 6 5 5 6 5 5 6 6 8 6 6 7 8 17 44 28 25 53 33 11 10 7 6 6 6 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 73 72 m 2H | 71 71 m 2H | 44 43 q 2H J 60 | 25 25 s 2H | 12 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(c2ccc3c(Br)c(O)ccc3c2)COC(=O)N1
ir: 5 6 0 5 9 2 3 4 6 4 4 3 2 1 6 5 7 4 10 8 3 2 1 2 2 1 1 2 2 3 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 7 6 5 8 2 4 3 1 0 2 2 2 1 2 3 5 6 2 2 1 2 2 2 2 1 1 1 1 1 2 2 2 7 7 8 4 2 2 3 2 2 2 2 3 2 2 1 1 2 2 1 1 1 2 4 2 1 2 2 1 1 2 2 3 3 5 2 2 1 3 2 2 2 2 2 6 3 3 2 2 3 2 1 1 1 1 1 3 2 1 1 1 2 2 1 1 2 2 1 1 9 41 17 4 5 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 5 2 8 11 10 2 2 2 2 2 3 100 71 6 2 2 1 1 1 2 1 1 2 2 1 2 5 7 5 2 2 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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; 1HNMR: 80 80 d 2H J 87 | 79 78 dd 1H J 22 86 | 77 77 t 1H J 22 | 75 74 dd 1H J 22 82 | 71 71 d 1H J 86 | 56 55 s 1H | 46 46 d 1H J 117 | 45 44 d 1H J 117 | 17 17 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(O)ccc1-c1ccc(C=NO)c(Cl)c1
ir: 3 10 23 48 4 10 10 10 11 12 26 10 6 12 15 8 7 3 11 9 5 5 3 10 6 4 2 1 1 2 2 1 1 2 2 2 2 2 1 1 1 2 2 1 1 2 2 1 2 2 2 1 3 10 11 15 5 4 1 4 2 3 4 8 7 8 5 5 16 5 5 3 6 6 5 100 6 6 4 5 9 42 60 13 14 7 3 5 3 7 3 2 12 9 3 5 13 4 4 35 8 3 3 2 1 2 6 3 2 3 2 2 0 8 4 2 1 2 1 1 2 2 5 3 3 5 2 2 3 2 3 2 1 1 2 2 11 1 1 2 3 4 1 1 1 1 1 4 2 2 2 5 9 7 4 6 8 2 2 1 7 1 2 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 4 3 1 1 3 1 1 2 2 2 1 2 2 1 2 2 2 5 2 4 12 20 12 6 3 3 4 5 9 31 57 10 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 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H | 84 83 s 1H | 77 76 d 1H J 75 | 75 75 m 3H | 68 67 m 1H | 67 67 dd 1H J 22 86 | 61 60 s 1H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC1CCN(C(=O)OC(C)(C)C)CC1
ir: 3 4 6 10 11 9 1 4 8 13 18 9 3 5 5 5 4 3 3 2 3 3 8 5 3 2 2 3 4 7 6 12 18 17 31 26 6 10 4 3 3 6 4 3 3 3 1 2 3 4 2 2 2 2 2 2 2 5 4 2 4 2 4 2 2 2 2 2 3 3 3 2 3 7 10 3 3 3 5 2 2 2 2 2 2 2 4 2 3 2 2 2 1 2 2 3 5 3 3 3 4 4 5 6 3 4 10 10 7 7 37 17 9 5 4 7 2 8 8 22 14 13 100 82 20 4 7 11 20 22 6 10 8 7 9 10 12 17 29 16 8 8 2 2 2 3 3 1 1 5 12 96 7 0 1 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 2 2 2 2 2 3 3 7 3 3 3 3 4 4 4 2 4 3 6 29 21 10 4 3 3 4 3 3 2 1 2 2 2 3 4 4 4 5 19 17 12 19 22 47 34 9 4 2 3 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 37 36 ddd 2H J 62 90 130 | 34 33 ddd 2H J 63 90 130 | 30 29 dp 1H J 38 77 | 29 28 dp 1H J 57 79 | 22 21 m 1H | 20 19 dddd 2H J 38 63 90 127 | 18 17 dddd 2H J 38 62 90 128 | 15 14 s 7H | 11 10 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1O)CCNC2
ir: 3 4 4 2 2 2 3 2 2 2 3 5 5 5 5 5 3 7 4 6 3 3 4 3 3 2 3 3 3 2 2 2 2 3 4 3 5 2 2 2 2 2 2 3 3 2 2 5 4 10 6 8 14 0 15 17 56 49 29 13 5 5 3 1 5 5 4 4 4 8 4 3 3 3 3 4 3 2 2 2 3 2 6 8 8 23 9 22 5 3 3 3 3 3 1 2 5 17 6 3 5 6 2 5 3 3 4 3 8 28 15 28 8 10 8 12 11 10 8 6 6 4 3 4 6 7 5 6 8 7 7 4 6 4 5 3 2 2 2 2 2 3 4 4 2 2 2 3 3 2 3 3 3 3 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 3 3 3 3 2 2 3 3 6 5 8 9 14 12 8 3 3 2 3 9 28 13 5 2 1 3 4 2 1 4 10 100 20 66 7 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 70 69 dq 1H J 10 82 | 69 68 dt 1H J 9 83 | 56 56 s 1H | 40 39 dd 2H J 9 46 | 31 31 q 2H J 41 | 29 28 td 2H J 21 40 | 26 25 p 1H J 44 | 22 21 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)CCCC12CCC(C(=O)OC)(CC1)CC2
ir: 4 5 9 3 7 7 3 3 18 22 9 2 1 2 1 1 0 1 2 1 0 2 1 3 1 1 1 1 0 1 3 2 1 2 7 2 3 4 6 8 5 3 5 2 10 5 23 2 3 3 1 1 1 1 2 2 2 2 1 2 3 2 1 0 2 5 16 56 3 8 13 2 2 2 2 7 1 1 2 2 1 1 1 1 5 15 100 15 4 7 4 3 0 0 1 2 1 2 3 2 0 5 8 16 9 30 22 45 20 49 11 6 4 6 2 6 5 11 9 19 23 12 5 6 4 2 5 5 3 3 2 2 3 3 4 3 1 1 1 2 4 1 1 1 4 15 5 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 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 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 3 3 1 1 4 17 18 22 9 6 2 3 6 5 8 59 5 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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; 1HNMR: 37 36 s 2H | 31 30 t 2H J 104 | 30 29 q 2H J 91 | 19 18 ddd 3H J 39 65 137 | 18 17 m 5H | 16 15 ddd 3H J 39 66 136 | 14 14 m 5H | 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.
Cc1cccc(C)c1Nc1nc2ccccc2[nH]1
ir: 1 1 2 3 9 3 2 1 2 4 2 1 2 2 2 2 8 13 17 3 9 12 8 33 32 4 6 2 2 2 8 4 5 3 4 3 2 2 3 0 7 12 87 45 3 16 30 3 5 4 1 1 5 6 1 1 1 1 4 3 1 1 0 1 1 1 1 2 1 6 2 1 2 1 3 1 1 2 1 1 1 1 3 1 1 1 0 1 1 1 1 0 1 1 1 1 2 2 6 5 1 0 1 1 1 1 8 8 8 2 26 4 1 1 2 1 4 3 1 2 1 1 0 1 1 3 16 3 2 1 1 1 1 1 0 15 19 15 16 3 1 1 2 9 7 2 3 3 2 2 5 5 0 100 2 15 4 1 1 74 4 13 8 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 15 8 4 22 51 32 5 3 2 1 1 2 2 1 2 3 1 0 1 1 1 1 2 1 2 3 6 5 40 80 49 44 15 7 5 0 1 2 2 1 1 2 1 1 0 1 2 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 86 85 s 1H | 74 74 m 1H | 74 73 m 1H | 72 71 m 2H | 71 71 dq 1H J 7 15 | 71 70 s 2H | 70 70 m 1H | 21 21 d 5H J 6
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN1CC(CCl)C(Cl)C1=O
ir: 1 1 3 1 1 2 3 2 1 2 3 3 3 4 4 3 5 5 4 1 3 4 4 2 6 16 8 3 2 3 4 1 1 2 2 2 4 6 9 4 1 1 1 1 2 2 2 2 3 3 2 2 1 4 3 0 2 2 1 1 2 5 8 3 3 3 1 0 2 3 3 2 4 4 2 1 2 2 1 1 2 2 5 4 5 4 2 2 2 2 2 3 4 3 2 3 3 2 1 2 5 6 4 4 3 2 0 3 2 3 2 3 4 5 15 8 17 8 5 4 6 3 3 2 4 1 1 3 4 3 6 3 2 1 1 3 2 5 7 10 5 1 2 2 1 2 2 4 100 90 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 3 3 2 2 3 3 9 7 9 3 6 20 15 10 10 3 4 6 7 6 4 4 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 59 57 ddt 1H J 63 115 171 | 53 52 ddt 1H J 13 24 168 | 51 51 m 1H | 44 44 d 1H J 29 | 40 39 m 2H | 38 38 dd 1H J 14 118 | 36 36 dd 1H J 13 117 | 31 30 dd 1H J 19 120 | 28 27 dd 1H J 18 121 | 27 26 tq 1H J 15 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N=C(NO)c1cccc(Cc2c[nH]cn2)c1O
ir: 5 9 3 10 12 5 3 7 7 2 4 2 9 2 6 3 7 4 5 5 2 2 4 2 4 2 2 4 6 6 1 7 10 13 38 6 11 6 7 15 47 12 8 8 9 3 7 8 8 5 8 5 1 2 2 1 2 0 2 3 2 1 3 2 2 1 3 2 9 5 9 9 6 9 3 4 3 6 19 11 3 3 2 4 8 10 8 6 20 19 11 18 25 47 70 26 16 17 15 16 9 17 8 15 20 19 14 10 7 6 5 2 4 3 5 9 8 13 9 8 7 12 5 1 1 2 2 1 2 2 1 1 3 9 19 18 12 11 5 10 6 7 7 4 3 2 2 1 3 6 6 2 3 2 2 1 1 1 2 0 1 1 0 1 3 1 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 1 1 1 1 0 0 0 0 0 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 0 0 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 3 5 3 2 3 5 3 1 7 6 13 24 33 100 82 43 27 10 10 7 10 47 21 12 26 12 6 9 4 35 11 10 14 6 4 3 2 2 2 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 92 92 d 1H J 24 | 80 80 s 1H | 79 79 s 1H | 78 78 dd 1H J 16 59 | 73 73 dd 1H J 12 81 | 72 72 dq 1H J 10 82 | 71 71 ddt 1H J 9 18 49 | 69 69 t 1H J 81 | 63 63 d 1H J 22 | 43 43 t 2H J 9 | 40 39 dd 1H J 49 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCC
ir: 7 8 13 5 2 5 2 5 10 13 10 4 7 3 7 4 2 3 2 2 1 6 6 19 24 26 29 61 11 18 12 8 7 10 7 5 6 15 5 12 63 33 15 5 3 2 6 3 2 2 4 3 3 6 7 10 6 10 3 1 2 3 2 5 2 2 2 1 2 4 2 2 6 4 7 5 3 2 2 1 2 2 1 1 1 1 1 1 2 1 16 4 2 2 5 3 7 3 6 10 14 4 3 2 2 2 1 5 14 10 6 4 8 6 8 4 6 17 5 18 13 17 16 4 6 15 8 12 11 8 10 6 2 2 3 7 3 2 1 9 8 19 100 43 87 79 16 5 15 28 31 18 3 3 4 1 1 2 2 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 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 3 1 3 4 5 4 3 4 5 7 8 4 54 7 36 35 19 4 3 3 2 2 2 3 2 3 2 2 1 2 2 2 1 2 4 3 5 11 6 24 75 27 8 5 2 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 m 2H | 75 74 m 3H | 58 58 t 1H J 57 | 44 44 dt 1H J 66 91 | 43 43 dt 2H J 9 57 | 42 41 m 4H | 25 23 m 2H | 22 21 dtd 1H J 66 93 143 | 21 19 dtd 1H J 66 92 143 | 14 14 s 7H | 13 12 dt 7H J 64 161
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=CC#N)c2ccc(OC)c(OC)c2)cc1NC(C)=O
ir: 1 4 6 3 2 9 9 8 3 4 8 4 2 8 9 48 14 6 6 6 4 5 6 7 12 3 9 8 15 5 6 19 21 15 22 65 33 35 33 21 41 34 11 11 13 6 5 7 3 3 5 7 38 75 68 45 9 11 5 5 5 11 11 35 91 20 16 24 33 46 57 12 14 50 14 21 8 16 5 2 3 4 2 2 7 43 3 10 11 16 13 3 5 6 9 3 3 3 2 5 5 3 3 3 3 23 6 4 7 5 1 5 6 6 18 8 3 15 12 13 6 12 30 10 21 10 8 17 11 19 19 12 7 4 2 2 6 46 9 21 9 10 9 60 18 99 24 40 26 30 27 50 7 25 19 45 25 9 4 2 2 2 2 3 8 1 2 4 3 1 2 4 2 1 2 4 2 1 2 2 2 1 4 1 1 0 1 2 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 2 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 2 0 1 2 1 1 2 3 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 2 2 2 1 2 6 5 2 3 4 3 3 2 5 4 4 5 16 13 21 21 49 54 53 62 13 14 15 7 3 3 4 2 2 1 2 2 1 5 6 2 2 8 9 11 7 86 100 93 13 10 10 6 6 3 2 3 3 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 90 90 s 1H | 80 80 d 1H J 22 | 74 73 dd 1H J 21 85 | 73 72 dd 1H J 20 84 | 71 71 d 1H J 20 | 70 70 d 1H J 85 | 70 69 d 1H J 83 | 58 58 s 1H | 39 39 s 3H | 39 38 d 7H J 88 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.