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CCOC(=O)C(F)(F)c1ccc(S(C)(=O)=O)cc1
ir: 11 7 2 2 11 6 5 5 2 7 22 19 16 8 12 6 4 29 16 3 1 2 2 1 1 2 1 1 1 2 2 1 12 5 4 10 28 6 3 2 4 13 2 1 1 2 2 2 4 3 9 3 3 3 27 100 20 16 5 4 2 1 2 7 5 71 6 0 3 5 3 1 2 3 3 1 3 4 2 2 12 59 11 14 51 39 50 11 24 8 22 5 0 2 3 1 2 2 6 43 16 7 5 9 17 31 14 6 19 12 11 45 9 4 4 5 5 10 24 27 13 14 6 4 6 6 34 13 8 6 0 2 2 1 1 2 2 2 1 2 3 2 1 3 15 5 3 34 20 6 2 2 1 6 1 2 2 1 1 2 1 7 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 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 2 1 1 1 1 2 1 2 2 8 2 2 2 2 2 2 2 3 2 3 16 55 49 23 25 58 37 13 5 5 3 3 5 1 1 2 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 78 77 dt 2H J 17 110 | 44 43 q 2H J 61 | 33 32 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=Cc1ccc(C2CC2)nc1
ir: 2 2 6 8 8 5 2 1 1 1 1 5 5 1 1 1 1 1 1 2 7 10 7 3 4 5 7 12 4 84 100 19 11 4 7 6 12 33 29 16 12 23 4 3 3 5 5 2 3 3 14 15 20 61 55 36 12 4 2 3 2 0 1 2 2 3 3 4 10 55 74 26 12 5 5 6 3 3 2 4 5 4 3 10 11 8 5 4 6 7 13 15 4 1 2 3 1 7 7 4 14 16 11 26 17 2 1 1 2 2 3 1 1 1 1 1 1 1 1 3 4 5 6 12 23 12 4 3 3 3 8 13 25 14 10 21 35 41 24 15 8 4 5 6 5 14 27 36 18 33 64 30 35 13 14 6 25 8 5 1 4 5 8 13 22 8 3 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 3 3 1 4 11 17 47 17 21 12 42 46 54 46 40 26 33 24 19 18 9 6 3 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 0 1 0 0 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 85 85 d 1H J 18 | 77 76 dd 1H J 19 87 | 72 71 dd 1H J 7 86 | 68 67 dd 1H J 112 167 | 58 57 dd 1H J 27 168 | 55 54 dd 1H J 27 113 | 22 22 m 1H | 15 14 dddd 2H J 7 57 71 99 | 12 11 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CNC(=O)OCc1ccccc1)c1ccccc1C(F)(F)F
ir: 6 13 3 5 9 8 2 2 1 2 1 2 1 1 3 2 5 2 9 2 1 1 2 1 7 3 2 6 4 3 13 18 35 4 6 9 7 16 17 37 14 3 8 26 5 3 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 3 3 3 3 3 3 1 2 2 3 2 7 5 6 4 2 1 1 1 1 0 0 1 1 5 3 1 4 4 2 3 1 1 5 10 15 18 4 3 2 1 1 1 2 2 15 7 4 8 4 4 4 8 6 3 6 3 9 8 4 14 5 15 2 1 4 4 1 1 2 3 10 4 5 2 1 1 12 9 36 11 100 17 5 8 39 9 3 6 1 1 1 0 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 5 2 1 1 2 3 1 5 5 7 15 9 50 19 17 2 4 2 3 4 5 1 1 1 1 0 0 1 1 0 0 1 1 3 8 29 12 9 7 9 11 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 2 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 dp 1H J 12 107 | 75 74 ddd 1H J 24 64 108 | 74 73 m 7H | 64 63 t 1H J 66 | 51 51 s 2H | 42 41 m 3H | 39 38 ddd 1H J 55 66 132 | 37 36 ddd 1H J 54 66 134 | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cc2ccc(F)cc2)c(OC(C)C)nc2c(Cl)ccc(OCC(=O)O)c12
ir: 1 2 2 2 2 3 3 6 5 7 8 5 22 7 9 8 7 6 17 29 65 100 21 17 22 4 5 3 2 9 11 8 3 2 1 1 2 1 1 4 2 2 1 0 2 5 5 5 3 7 3 2 13 17 26 36 7 9 5 8 2 2 1 5 2 8 9 1 3 6 2 3 2 2 1 5 9 12 53 100 8 10 9 2 6 13 12 7 2 1 2 2 1 2 5 7 4 9 13 3 5 3 3 1 1 2 1 1 0 10 5 2 2 2 1 1 1 5 8 12 3 7 8 8 4 4 7 5 7 6 12 3 2 1 1 2 3 3 3 15 15 11 5 35 6 9 11 13 10 8 2 5 9 24 2 1 2 1 1 0 28 42 3 1 1 0 1 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 1 1 0 0 1 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 0 1 1 1 2 1 1 1 1 1 1 1 1 2 4 5 1 20 10 26 40 16 4 5 3 3 4 1 3 7 95 12 4 1 2 1 1 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 75 74 d 1H J 97 | 73 72 ddt 2H J 9 34 78 | 71 70 m 2H | 69 69 d 1H J 97 | 51 50 hept 1H J 60 | 47 46 s 2H | 40 39 d 2H J 9 | 24 24 s 2H | 16 15 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1C(=O)N(C)c2ccccc2C[C@H]1c1ccc2c(c1)OCO2
ir: 4 13 32 22 9 7 6 7 5 7 17 5 5 3 5 3 8 7 5 1 3 17 4 3 2 10 9 24 6 7 5 2 1 6 9 4 4 12 5 4 3 8 90 100 20 3 4 3 7 8 7 11 9 10 31 7 14 6 4 12 14 6 2 2 9 26 25 1 18 35 20 7 5 6 3 14 13 5 4 3 4 7 3 4 5 4 4 3 6 7 17 7 5 5 2 10 7 8 7 5 7 3 2 3 6 6 4 3 5 6 11 11 16 13 2 12 10 8 3 9 8 7 11 6 8 31 45 29 20 5 3 8 7 8 6 6 6 7 9 6 5 4 22 20 8 39 17 13 34 50 27 7 5 5 3 4 3 1 2 6 4 2 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 3 2 1 1 3 3 1 2 5 4 2 3 4 4 5 5 4 5 7 11 14 7 5 18 17 29 95 72 15 5 2 3 4 3 0 2 4 1 0 3 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3; 1HNMR: 73 72 m 2H | 72 71 ddt 1H J 8 18 84 | 71 71 m 1H | 69 68 dd 1H J 19 83 | 68 67 m 2H | 59 59 s 2H | 40 39 m 2H | 37 37 s 3H | 34 33 s 3H | 32 31 m 1H | 31 30 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H](N)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1
ir: 1 1 1 1 4 3 6 4 1 2 2 1 1 1 1 1 0 1 2 4 1 1 6 1 1 1 1 1 1 3 10 3 1 2 9 2 8 7 2 1 41 4 0 5 14 3 12 8 45 2 2 2 3 1 1 4 6 4 7 5 12 18 1 7 3 6 22 73 18 8 4 5 26 4 11 90 14 13 18 18 3 1 1 2 3 2 2 4 10 9 2 6 3 1 1 1 2 3 5 2 4 1 1 2 4 6 4 3 3 3 6 7 10 1 1 1 6 5 8 6 6 16 6 6 6 2 9 9 8 19 26 16 21 20 6 6 32 17 12 11 3 4 10 12 3 1 5 1 1 8 2 5 10 2 1 2 1 100 2 0 2 7 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 1 1 0 1 1 1 1 1 1 1 1 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 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 2 2 3 3 3 11 34 26 33 25 12 3 2 1 1 2 2 2 4 2 3 8 23 29 13 3 3 4 8 5 26 8 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 81 80 d 1H J 87 | 73 73 dd 1H J 21 87 | 73 72 m 7H | 43 42 dddd 1H J 15 46 77 98 | 37 36 m 2H | 35 35 d 2H J 72 | 21 20 m 1H J 68 | 9 9 dd 3H J 15 67 | 9 9 dd 3H J 15 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)c(Cl)c(NC(=O)c2csc3c(NC(C)=O)ncnc23)c1Cl
ir: 1 2 3 3 2 2 3 2 1 5 3 4 1 2 4 5 10 8 6 1 3 6 2 2 3 7 10 15 7 11 39 4 19 11 3 3 4 4 40 7 13 15 4 6 21 38 100 40 3 4 3 3 1 3 2 0 3 3 2 1 5 2 2 4 4 4 14 16 3 10 3 10 6 2 3 1 1 2 2 3 3 2 1 1 1 1 1 1 1 2 5 5 3 3 3 5 2 2 3 1 2 1 1 6 2 1 1 2 2 2 1 1 2 1 1 34 7 5 3 5 3 1 2 3 2 2 2 2 2 2 2 3 2 1 2 2 1 2 13 20 4 2 6 29 8 22 60 32 9 14 3 10 14 28 7 16 12 12 4 5 12 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 2 1 2 2 2 1 2 2 6 3 5 6 9 10 5 17 2 2 1 1 1 1 2 3 2 1 2 2 2 2 2 3 2 11 31 9 13 71 10 16 9 7 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H | 88 88 s 1H | 87 87 s 1H | 82 81 s 1H | 64 64 s 1H | 39 39 s 6H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)N1CCN(CC#N)CC1
ir: 12 22 16 10 25 30 33 10 13 60 23 16 9 9 16 13 12 18 10 8 7 7 7 6 6 9 9 7 7 7 8 17 14 8 7 6 6 8 10 6 7 9 8 7 10 9 7 6 6 8 7 6 7 8 6 7 10 18 10 8 11 8 7 6 9 11 11 11 9 8 6 6 7 8 6 6 8 9 12 42 62 13 10 12 38 8 10 8 17 8 8 6 6 6 7 8 8 9 11 7 14 15 10 8 7 11 14 12 11 7 7 10 20 11 14 7 9 9 17 19 15 38 15 13 9 8 6 9 9 7 9 12 15 7 7 12 16 12 7 8 7 6 5 7 7 5 5 9 10 0 69 100 4 10 7 4 6 7 6 5 6 7 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 17 7 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 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 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 6 6 6 6 7 7 7 8 7 11 11 9 10 7 7 7 8 9 11 22 11 7 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 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 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 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 6; 1HNMR: 41 41 t 2H J 69 | 36 36 s 2H | 34 34 m 4H | 28 27 m 4H | 17 16 p 2H J 70 | 14 13 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(C=O)c[nH]c2cc1F
ir: 2 9 15 3 1 3 5 3 1 3 5 3 1 4 4 2 1 4 4 2 1 4 7 6 10 6 6 2 5 10 13 4 2 4 4 2 4 5 5 5 10 5 4 2 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 4 10 8 10 17 15 28 100 32 14 4 2 4 22 17 1 4 4 2 2 4 4 2 3 4 4 2 2 5 15 6 6 5 4 2 2 4 3 2 8 8 6 7 4 12 5 3 9 13 16 3 7 6 3 1 3 7 5 3 5 6 3 1 3 4 2 2 4 4 2 1 3 4 2 2 5 4 2 2 5 9 17 14 9 23 9 5 4 4 2 3 3 5 9 20 37 12 0 3 12 4 2 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 4 4 3 4 3 1 2 4 3 2 3 4 4 3 4 9 14 26 23 31 7 5 3 4 3 4 5 5 4 2 3 4 2 2 4 4 3 2 4 6 3 2 13 47 73 5 4 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 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 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4; 1HNMR: 80 79 d 1H J 74 | 76 76 d 1H J 47 | 72 71 d 2H J 121 | 39 39 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(=O)N1CC(O)C(C(=O)OC(C)(C)C)C[C@H]1C
ir: 19 17 14 57 20 16 15 12 14 15 16 13 58 21 10 10 10 16 7 5 4 5 4 3 4 3 2 6 6 3 3 5 2 2 4 2 3 3 3 2 3 2 2 3 4 3 2 2 2 2 2 2 3 2 6 5 3 4 5 3 4 9 9 4 7 14 23 14 6 9 6 11 13 10 5 6 4 3 5 2 4 7 2 2 5 10 8 9 12 18 30 52 25 13 19 11 9 14 6 4 5 5 4 4 6 7 6 9 18 17 11 11 7 6 10 14 13 33 27 25 17 21 10 5 14 12 11 9 24 10 16 12 13 5 3 10 8 8 8 5 6 4 4 8 48 24 8 4 3 9 66 100 4 0 1 2 2 1 1 3 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 5 2 3 4 5 7 3 4 7 7 5 16 12 17 33 15 11 5 4 4 6 5 5 10 25 19 11 3 3 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 60 59 ddt 1H J 60 118 175 | 53 53 ddt 1H J 13 24 170 | 53 52 m 1H | 47 46 dt 2H J 13 60 | 45 44 d 1H J 51 | 44 43 ddt 1H J 44 51 62 | 43 42 m 1H | 38 37 dd 1H J 45 120 | 36 35 dd 1H J 45 120 | 27 27 q 1H J 66 | 22 21 ddd 1H J 56 67 126 | 20 19 ddd 1H J 67 83 128 | 13 13 s 8H | 13 12 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=N[C@@H]1CC[C@@H](c2nc3ccc(-c4ccccc4)cc3[nH]2)CC1
ir: 1 1 2 6 9 3 1 3 2 1 1 1 2 3 3 3 1 1 2 1 1 3 5 5 6 30 16 6 7 3 9 6 6 2 1 1 7 1 1 2 7 33 5 3 2 1 1 3 2 1 1 1 2 2 9 47 8 3 1 2 1 1 1 2 1 2 9 4 5 5 7 1 18 1 2 2 2 4 4 4 4 1 1 1 1 1 0 1 0 0 1 1 0 2 1 1 4 2 2 1 1 1 0 1 1 1 4 22 10 8 5 4 4 3 9 4 4 6 5 4 2 2 3 3 1 5 11 8 4 2 8 1 0 1 3 6 15 40 2 4 1 2 100 8 5 44 10 3 4 2 1 9 12 8 19 7 1 1 1 1 1 0 0 1 1 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 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 1 1 1 1 2 3 4 1 2 1 2 6 2 5 11 4 13 55 28 11 4 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 3 4 9 32 18 4 5 3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dd 1H J 21 80 | 79 78 d 1H J 22 | 78 77 d 1H J 79 | 77 77 m 2H | 75 74 m 2H | 74 73 m 1H | 35 34 tt 1H J 50 80 | 31 30 dtd 1H J 28 40 52 | 24 22 m 7H | 20 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CC2)nc(N(N=CC(C)C)c2ccccc2)n1
ir: 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 2 2 2 1 3 3 2 4 4 3 2 11 8 4 2 5 21 14 11 6 28 52 8 89 7 6 14 4 4 4 1 2 6 6 2 2 3 2 0 3 7 4 4 7 12 7 8 58 18 13 3 9 2 7 5 2 3 4 1 4 8 3 2 3 3 2 5 7 3 2 2 4 2 1 4 8 3 1 2 6 4 1 7 5 3 2 4 5 4 4 4 4 5 2 3 5 2 1 3 8 4 3 2 5 5 4 7 4 5 4 5 3 3 4 3 3 2 26 22 4 2 3 4 23 15 33 66 46 44 34 12 7 9 8 21 21 8 21 63 44 6 6 9 41 3 3 5 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 3 3 3 1 2 3 3 1 4 6 3 8 4 10 7 1 42 100 23 7 15 7 8 4 3 3 3 2 2 3 2 1 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 m 2H | 75 74 m 2H | 72 72 m 1H | 70 69 dp 1H J 10 70 | 68 67 m 1H | 27 25 m 1H J 66 | 25 24 m 1H | 23 23 s 2H | 13 12 m 2H | 11 11 dd 6H J 10 65 | 10 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cccc(OCCOC(=O)c2ccccc2)c1
ir: 6 4 7 5 4 3 4 2 5 3 3 6 19 28 10 3 1 3 3 1 0 2 2 3 0 2 2 2 5 16 26 11 3 6 3 3 2 4 6 8 41 24 5 4 5 3 15 25 3 4 2 0 1 3 2 0 2 3 7 5 7 6 2 1 2 5 3 4 5 12 11 5 5 4 1 1 2 3 15 6 12 4 1 1 2 1 1 1 2 1 1 2 4 4 2 1 3 2 1 2 6 4 1 2 19 1 2 1 3 2 2 2 7 6 4 13 13 13 4 3 5 2 3 5 8 6 3 4 3 1 0 1 2 1 6 2 2 1 2 3 9 9 10 68 12 16 18 7 19 4 1 3 3 1 4 29 10 3 1 1 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 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 4 1 1 3 1 1 1 3 2 1 1 2 2 3 16 15 27 100 35 10 5 2 2 2 3 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 100 99 s 1H | 81 80 m 2H | 77 76 dt 1H J 23 77 | 76 75 m 1H | 75 74 m 2H | 74 74 t 1H J 77 | 73 73 dd 1H J 18 26 | 69 69 dt 1H J 25 75 | 45 45 t 2H J 49 | 44 44 t 2H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(Oc2cccc3ccccc23)c2occc2C1
ir: 1 1 1 10 2 11 5 4 9 4 1 1 3 1 0 1 5 15 2 2 4 19 15 9 2 2 2 2 4 0 4 8 2 4 1 1 0 0 1 1 2 21 11 6 7 49 5 1 4 19 13 10 1 3 1 1 2 1 1 0 1 1 1 0 1 17 10 4 2 10 3 2 2 3 3 9 2 8 4 12 7 8 11 23 4 3 1 11 32 2 3 16 2 3 9 4 5 21 7 2 9 7 2 2 3 4 8 6 2 4 5 3 1 3 4 11 2 3 2 2 2 1 2 1 1 2 1 4 4 8 7 13 20 3 3 2 2 6 2 5 1 1 1 3 4 9 2 25 31 6 4 51 6 4 1 2 2 4 1 6 2 0 1 0 0 1 6 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 3 3 1 1 2 4 3 6 8 14 25 100 68 19 24 5 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 m 1H | 78 78 dt 1H J 13 79 | 76 74 m 5H | 71 70 dd 1H J 15 80 | 63 63 dt 1H J 9 18 | 52 51 t 1H J 58 | 39 37 m 2H | 31 30 m 1H | 29 28 dt 1H J 102 123 | 25 23 m 1H | 24 24 s 3H | 22 21 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](C(C)C)N1Cc2cc(-c3ccc(N)cc3)ccc2C1=O
ir: 6 17 15 17 7 10 11 3 3 4 2 4 3 2 2 2 3 3 3 1 2 2 2 2 1 3 3 12 11 6 3 4 3 2 2 4 3 5 5 25 21 4 1 2 2 1 1 2 2 1 2 4 5 22 46 10 12 2 3 4 2 1 2 2 1 4 2 8 7 3 2 4 2 2 2 3 5 11 7 9 8 4 1 1 1 3 2 1 4 5 3 3 1 2 4 4 6 2 1 2 3 4 2 2 2 3 7 4 6 8 4 2 1 2 2 2 4 7 6 3 3 4 5 3 2 6 3 4 2 8 2 3 3 3 2 1 1 5 9 2 1 1 2 2 7 4 7 2 4 3 3 5 18 10 42 16 77 19 3 2 3 6 3 1 11 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 2 1 1 1 2 2 2 3 3 6 4 3 4 9 12 15 37 10 5 5 3 2 2 2 1 1 2 1 1 2 2 1 1 3 27 29 1 2 2 1 1 2 2 1 3 13 70 100 17 0 2 4 2 0 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 3 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 d 1H J 86 | 77 76 dd 1H J 22 88 | 76 76 dt 1H J 9 21 | 76 75 m 2H | 67 67 m 2H | 46 45 dd 1H J 9 136 | 45 44 dd 1H J 8 134 | 44 44 s 2H | 44 43 ddt 1H J 16 29 77 | 37 37 s 2H | 23 21 m 1H J 74 | 10 9 ddd 6H J 15 73 185
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)Nc1cccc(Cl)c1
ir: 3 1 1 3 2 1 2 1 1 1 1 1 3 1 0 1 2 2 12 11 4 2 5 6 6 10 7 2 9 4 6 1 7 3 2 3 6 12 12 6 38 27 14 5 2 12 73 100 39 3 2 1 2 1 1 2 1 0 1 2 1 0 1 2 2 1 9 12 10 3 2 2 2 1 1 2 2 2 2 4 6 5 5 2 1 0 2 2 8 12 1 1 1 1 1 1 1 1 1 2 1 2 7 9 32 11 3 1 2 1 0 1 1 1 0 1 2 1 2 2 1 5 3 8 9 7 5 4 2 1 2 1 1 2 1 1 1 2 3 6 43 12 4 3 2 1 9 7 28 48 33 30 12 19 11 17 10 4 2 2 18 32 14 5 2 3 3 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 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 1 1 1 1 1 1 1 1 2 2 3 3 5 20 8 59 50 8 4 1 2 2 2 2 2 1 1 1 2 2 1 2 7 5 17 25 32 26 56 85 22 9 3 1 1 2 1 1 1 1 2 8 9 8 4 1 1 2 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0; 1HNMR: 77 77 m 2H | 74 74 ddd 1H J 11 21 80 | 73 72 t 1H J 80 | 70 70 ddd 1H J 12 22 77 | 61 61 q 1H J 47 | 27 27 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccc(N)nn2)cc1OCC(C)C
ir: 7 4 4 12 7 17 12 4 3 3 4 5 5 10 4 7 6 6 6 8 4 5 15 6 4 1 3 3 3 3 1 1 3 2 2 4 2 4 2 2 3 1 1 1 1 2 2 1 2 6 4 16 100 3 6 5 3 4 2 2 3 2 6 6 1 3 2 2 3 12 6 1 3 6 2 1 7 10 2 1 1 1 1 1 1 0 1 1 1 2 5 2 1 2 2 6 3 1 1 1 1 0 1 2 1 1 0 1 1 6 3 1 0 1 1 1 1 1 5 2 2 1 2 1 1 3 2 9 1 2 1 2 1 2 20 2 1 1 1 0 1 2 10 16 8 2 2 8 3 14 56 14 30 27 29 9 6 6 61 9 3 4 1 2 2 1 0 0 0 0 0 1 1 1 0 1 0 1 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 1 1 1 1 1 1 1 0 0 0 2 1 1 1 1 2 4 4 9 8 33 17 8 3 4 1 1 1 1 1 1 1 1 1 1 0 0 2 29 10 2 0 0 1 1 1 1 1 5 6 16 56 4 4 2 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 79 | 75 75 dd 1H J 18 90 | 72 72 d 1H J 17 | 70 70 d 1H J 89 | 69 69 d 1H J 79 | 43 43 s 2H | 39 38 m 5H | 20 19 dtt 1H J 50 72 144 | 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)CCC(=O)c1ccoc1
ir: 40 5 3 4 6 4 3 7 7 3 0 5 9 3 0 4 6 2 0 5 6 2 0 6 7 0 0 11 37 63 23 9 16 11 5 4 9 3 6 7 10 36 4 5 6 3 3 6 9 5 5 11 4 2 4 5 4 7 4 6 12 7 36 42 11 4 22 10 6 14 6 6 3 1 4 9 6 2 5 9 6 64 64 28 10 5 7 7 4 4 4 4 3 3 4 12 15 4 6 6 4 3 6 5 4 8 10 11 27 44 31 15 4 8 6 9 8 10 11 12 23 47 44 57 8 10 21 28 42 14 11 6 4 4 6 9 11 16 3 16 5 5 7 8 81 32 6 3 9 32 8 9 4 5 4 3 3 8 61 100 4 4 4 2 3 5 4 2 3 5 3 1 3 5 3 2 3 5 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 3 4 6 5 4 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 3 3 4 4 2 3 5 4 4 7 7 6 4 17 26 5 3 6 8 14 6 7 22 19 10 8 8 16 66 90 30 19 5 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 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 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 81 81 dd 1H J 9 16 | 76 76 t 1H J 17 | 70 70 dd 1H J 8 19 | 30 30 t 2H J 83 | 17 15 m 3H | 9 9 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1cc2cc(CBr)ccc2s1
ir: 12 3 2 4 15 5 2 3 3 2 2 2 3 4 4 6 11 36 45 7 12 2 2 2 2 2 2 2 2 2 4 2 4 5 9 9 7 2 6 6 3 3 3 3 2 2 2 2 2 3 3 4 4 5 60 21 3 0 4 5 2 4 5 3 2 2 3 4 11 1 3 3 2 2 2 5 2 2 2 2 2 1 2 2 2 2 3 3 3 2 7 56 15 5 4 4 2 4 6 24 4 4 3 2 3 3 9 12 7 8 25 3 4 3 3 3 3 5 5 9 42 39 25 14 11 19 16 12 4 11 9 9 2 3 2 2 2 2 2 13 3 2 2 3 3 3 7 100 3 48 10 1 2 4 4 2 2 3 2 1 2 3 4 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 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 3 2 2 2 2 2 1 2 4 4 2 4 3 3 2 3 6 6 2 3 4 4 5 8 10 40 25 18 60 45 28 28 12 6 6 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 81 81 d 1H J 21 | 81 80 d 1H J 75 | 79 79 ddt 1H J 9 22 28 | 74 74 ddt 1H J 8 19 74 | 47 47 t 2H J 9 | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cnc(-c2cnc(N3CCC(C(=O)OC)CC3)c(N)c2)o1
ir: 3 2 2 2 3 2 4 3 3 2 2 2 2 2 2 3 6 5 4 5 12 5 8 6 3 3 5 3 4 2 2 3 2 3 2 3 2 2 2 6 4 3 2 2 2 1 2 2 1 1 1 1 2 1 1 1 2 2 2 1 2 2 2 1 1 2 2 4 4 2 2 3 3 2 3 2 2 1 1 1 5 5 2 1 1 2 1 2 1 3 1 2 6 4 4 2 4 4 3 1 2 2 2 2 2 1 2 2 3 5 2 2 5 3 5 3 4 5 4 5 2 2 2 2 2 2 3 5 3 2 3 4 2 1 2 1 1 2 2 7 10 3 3 3 20 2 3 4 11 2 2 1 2 10 4 1 2 3 19 4 4 5 43 10 3 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 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 2 2 1 1 2 2 2 2 2 2 2 2 3 4 4 5 3 3 8 4 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 7 64 3 2 2 1 1 2 2 1 4 8 16 100 50 8 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 d 1H J 16 | 75 75 d 1H J 16 | 70 69 d 1H J 9 | 48 48 s 2H | 37 36 ddd 2H J 61 89 139 | 37 36 s 2H | 35 34 ddd 2H J 61 89 137 | 30 29 qd 2H J 9 78 | 28 28 p 1H J 58 | 24 23 ddt 2H J 59 88 125 | 21 20 ddt 2H J 59 88 126 | 14 13 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(Cl)c(CN2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(OC)c1
ir: 20 22 25 18 20 13 8 5 7 14 16 74 73 44 24 21 11 6 5 22 9 4 12 72 16 8 31 7 2 4 4 4 1 1 3 2 1 4 8 7 1 2 2 2 2 4 3 1 1 3 8 3 3 8 6 2 5 10 3 1 4 35 9 33 5 16 38 93 29 7 13 9 13 7 15 19 12 7 13 19 86 47 14 4 5 7 9 48 22 6 1 2 5 4 5 5 8 9 8 7 11 6 14 11 17 32 4 4 4 7 48 13 13 13 24 3 16 25 20 47 18 11 27 51 25 16 49 62 100 23 21 23 15 18 18 9 6 6 7 19 12 6 2 7 10 91 29 14 7 8 19 68 8 4 2 2 1 2 1 1 1 1 12 45 3 1 1 1 1 1 1 1 1 0 1 2 2 2 1 2 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 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 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 2 1 1 1 4 5 8 5 4 3 6 4 4 3 4 4 10 10 9 9 70 14 17 66 60 7 5 4 2 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 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 78 78 d 1H J 22 | 73 73 d 1H J 22 | 44 43 q 2H J 64 | 40 39 m 3H | 38 37 m 1H | 38 37 dtd 1H J 15 35 80 | 29 29 dd 1H J 63 108 | 28 26 m 7H | 19 17 m 2H | 16 15 m 2H | 15 14 s 7H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(C2CCCC2)c(N)c1C(N)=O
ir: 1 2 3 2 2 1 3 2 3 4 5 7 11 11 24 17 12 39 10 28 6 7 5 6 4 7 6 10 5 7 2 1 1 2 1 1 1 2 2 0 1 3 4 4 19 18 23 17 3 2 2 2 5 1 2 2 1 2 2 2 2 3 2 2 1 2 1 1 1 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 9 4 4 4 11 8 4 2 1 1 1 1 1 1 1 1 2 2 2 1 2 1 2 2 4 3 3 3 3 3 1 2 2 2 1 2 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 4 5 3 17 4 22 2 1 1 2 1 17 21 18 2 3 18 3 2 13 99 45 32 79 5 4 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 3 2 3 3 2 4 3 5 2 3 2 2 2 2 1 2 1 2 2 1 1 1 1 1 1 1 1 0 59 33 59 2 1 2 2 2 1 0 4 7 10 80 100 63 6 3 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 70 s 2H | 58 58 s 2H | 41 41 s 3H | 33 32 ddt 1H J 26 46 63 | 21 20 m 2H | 19 17 m 5H | 17 16 ddddd 2H J 14 33 59 90 118
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCC(NC(=O)N1CC(=O)Nc2cccnc21)c1ccc(OC(F)(F)F)cc1
ir: 2 12 4 2 4 4 2 5 5 3 3 5 3 6 3 6 20 9 5 3 2 3 12 7 10 3 3 5 12 40 43 26 13 13 7 2 3 8 19 13 6 12 17 16 39 69 18 21 6 12 6 7 8 13 12 33 18 5 3 1 2 3 10 4 4 5 7 8 7 13 4 8 8 4 1 1 3 3 4 2 4 5 5 1 2 2 4 11 7 6 3 3 4 5 18 30 26 5 26 24 16 100 66 10 8 4 2 3 7 7 4 3 8 9 7 6 4 20 11 13 5 13 8 38 15 9 9 6 3 5 5 2 62 18 2 10 10 3 0 7 4 3 2 9 78 28 29 24 8 64 100 71 42 10 9 29 48 12 3 4 13 5 3 4 2 1 1 3 2 0 1 3 1 0 2 3 1 1 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 7 6 4 6 3 6 4 6 7 7 14 14 18 59 11 13 6 2 4 3 2 2 3 3 2 1 2 3 2 1 3 5 3 3 7 13 6 72 32 32 53 5 8 11 5 5 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 84 84 dd 1H J 20 44 | 80 79 dd 1H J 21 83 | 74 73 dd 1H J 44 82 | 73 72 m 2H | 72 71 m 2H | 69 68 d 1H J 79 | 50 49 m 1H | 47 46 d 1H J 163 | 45 44 d 1H J 163 | 43 42 dt 1H J 60 121 | 42 41 dt 1H J 60 121 | 23 22 dq 1H J 61 150 | 21 20 m 1H | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCc1cccc(Oc2ccccc2)n1
ir: 1 1 1 0 6 2 2 2 1 1 0 1 1 0 0 0 0 1 1 1 1 1 0 1 1 0 0 1 2 1 4 3 7 7 2 3 5 3 2 6 7 33 5 3 5 7 12 72 46 8 3 2 1 0 1 1 0 0 0 2 1 1 0 2 6 4 1 4 7 1 1 1 1 0 1 1 2 4 21 17 7 2 3 1 0 1 1 1 1 1 1 1 2 0 1 0 0 1 1 1 1 1 2 3 0 0 1 1 3 1 2 1 0 0 1 0 0 0 1 1 0 2 1 1 0 0 1 1 1 9 7 0 0 3 5 6 3 8 100 7 2 4 3 13 21 2 1 2 1 0 2 5 4 2 11 51 11 1 3 12 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 4 5 2 1 1 1 2 2 3 6 6 20 43 29 7 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 t 1H J 76 | 74 74 m 2H | 73 72 dq 1H J 10 73 | 72 71 m 2H | 70 70 tt 1H J 13 73 | 67 66 dd 1H J 11 79 | 46 46 d 2H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nnc(-c2cnc3[nH]ccc3c2Cl)s1
ir: 5 5 1 4 3 3 7 3 5 5 7 2 2 2 3 2 6 2 1 3 4 2 1 5 18 100 11 5 3 5 5 3 2 3 3 4 2 2 2 1 3 4 7 4 3 5 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 1 3 2 1 0 1 1 1 18 4 2 1 1 1 1 1 3 4 2 1 0 1 1 1 1 1 1 2 7 1 2 4 3 5 3 13 4 5 3 3 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 6 2 2 1 1 1 1 0 1 1 1 0 1 1 1 5 3 2 5 15 9 6 6 9 3 1 0 1 3 19 24 13 12 1 1 2 31 1 1 1 0 1 1 1 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 3 3 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 7 4 4 3 7 39 6 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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: 100 99 d 1H J 64 | 87 87 s 1H | 74 74 dd 1H J 51 64 | 71 71 d 1H J 53 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1n[nH]c2cc(Nc3nc4cccc(NCC5CCOCC5)n4n3)ccc12
ir: 18 44 7 10 6 14 13 8 11 5 3 6 5 8 10 5 4 3 13 11 9 3 6 5 4 5 6 5 12 10 2 5 3 2 5 4 11 4 2 2 2 4 4 3 4 7 9 39 14 4 19 13 15 22 54 35 8 6 4 2 2 2 3 3 16 12 20 15 8 4 3 3 4 18 5 8 5 5 2 2 2 2 3 3 2 1 6 6 2 4 5 23 54 45 9 9 6 2 3 6 5 5 8 4 5 7 28 50 28 13 36 31 0 13 33 25 9 13 2 20 10 16 15 18 24 15 7 15 10 7 11 16 5 2 2 3 4 7 2 3 25 5 3 8 7 53 18 1 1 6 8 10 5 4 4 2 19 6 4 2 1 2 6 3 2 5 46 5 1 0 1 1 3 21 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 2 2 2 2 2 5 6 4 6 7 15 9 7 21 7 12 11 11 15 29 26 24 55 100 43 20 7 3 4 3 3 3 2 3 3 4 4 4 5 4 9 10 16 16 41 15 12 15 28 38 49 11 3 5 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; 1HNMR: 90 90 s 1H | 78 77 d 1H J 85 | 77 76 dd 1H J 13 86 | 74 74 m 2H | 74 73 dd 1H J 22 84 | 71 71 t 1H J 57 | 67 67 dd 1H J 13 77 | 37 37 ddd 2H J 29 57 109 | 35 35 ddd 2H J 29 55 110 | 34 34 dd 2H J 38 58 | 29 29 s 3H | 19 18 m 3H | 16 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1ccnc1/C(Cc1ccc(N)cc1)=N\O
ir: 5 11 8 4 5 5 1 2 2 3 3 1 2 2 1 4 1 5 0 1 2 1 0 1 1 2 1 0 0 1 0 1 1 1 1 1 1 1 5 16 31 3 1 1 1 0 1 1 1 5 3 2 12 8 6 19 15 27 5 1 1 1 4 1 2 1 1 4 2 7 2 1 2 3 3 4 4 5 4 2 2 7 1 14 1 2 1 2 7 6 3 6 7 2 2 6 6 11 18 11 4 5 4 6 1 2 16 2 2 4 4 4 10 12 3 7 9 5 8 16 15 9 8 3 3 3 4 3 2 1 4 1 1 1 1 1 0 0 0 0 1 1 1 1 0 2 3 5 3 2 1 3 7 3 3 11 16 29 3 0 1 1 2 18 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 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 1 0 1 1 0 1 1 1 0 1 2 2 2 3 4 7 4 3 3 6 1 4 5 6 16 5 11 100 35 44 7 4 3 1 1 27 4 0 1 1 0 0 0 0 1 23 4 2 0 0 0 0 0 0 0 1 0 21 6 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; 1HNMR: 73 72 d 1H J 44 | 72 71 dt 1H J 9 44 | 71 71 dt 2H J 9 81 | 65 65 m 2H | 42 42 s 2H | 42 41 td 2H J 8 48 | 41 40 t 2H J 9 | 18 17 qt 2H J 49 72 | 9 8 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)N[C@@H](CC1CCCCC1)[C@@H](O)C(F)(F)CO
ir: 5 4 12 4 5 6 7 5 8 6 5 4 2 3 2 4 2 2 3 5 3 3 4 6 7 9 11 15 6 16 11 13 24 57 46 21 7 13 8 13 19 6 5 3 2 2 2 2 2 1 3 2 2 1 2 3 2 1 1 1 3 3 2 2 1 1 1 1 4 2 2 1 1 1 1 1 1 2 1 2 3 4 3 2 4 4 5 31 52 10 27 7 7 10 10 8 14 19 31 22 43 26 19 12 3 4 2 5 5 4 9 4 4 4 1 3 6 3 6 9 5 4 3 2 2 2 1 2 2 4 6 5 1 1 1 1 2 1 1 2 2 2 26 65 32 2 3 1 2 8 22 0 1 2 1 0 0 2 1 0 1 1 1 0 2 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 3 3 3 6 3 5 4 7 5 3 9 31 7 10 5 12 11 43 100 98 22 20 52 12 47 7 6 4 4 2 1 1 1 1 2 2 6 3 10 67 1 4 3 1 1 3 2 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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; 1HNMR: 55 55 d 1H J 77 | 49 48 dt 1H J 37 60 | 44 43 tt 1H J 37 70 | 42 38 m 4H | 18 17 m 1H | 18 17 m 1H | 15 13 m 9H | 14 14 s 9H | 12 11 ddt 2H J 58 86 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(c3ccnc(C(F)(F)F)n3)C[C@@H]21
ir: 1 1 2 1 0 1 2 1 0 1 2 2 1 2 2 3 1 3 2 1 0 1 3 1 4 3 2 1 1 2 3 1 1 3 4 5 9 100 9 4 2 1 2 2 12 12 4 9 8 6 6 1 2 2 1 2 7 3 3 1 2 3 2 5 4 5 3 1 4 2 2 4 4 8 4 2 6 3 2 2 3 2 4 2 2 1 1 1 2 2 1 1 2 3 3 1 10 11 2 2 2 5 11 4 4 4 7 6 8 8 4 4 3 5 9 12 4 2 2 2 2 2 1 4 2 2 2 2 2 1 4 5 8 1 2 1 3 5 3 3 2 1 1 4 14 53 15 16 4 14 4 2 1 1 1 2 2 4 24 3 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 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 1 1 1 2 1 2 2 2 2 3 3 4 2 3 2 2 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 23 25 10 8 17 7 4 2 2 2 2 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 83 82 d 1H J 42 | 67 66 d 1H J 42 | 62 61 d 1H J 82 | 50 49 dq 1H J 47 59 | 38 37 m 3H | 37 36 ddd 2H J 34 61 135 | 32 31 tdq 1H J 15 59 88 | 24 24 m 4H | 23 22 dtp 1H J 18 33 66 | 19 18 m 2H | 17 15 m 4H | 14 13 m 1H | 9 9 d 3H J 66 | 9 8 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)O
ir: 2 3 2 1 1 1 3 2 1 1 1 3 7 4 2 3 8 3 5 5 9 22 24 4 3 3 3 1 1 2 3 4 2 2 1 2 3 3 2 3 3 12 35 13 1 3 1 0 1 2 1 0 1 2 1 0 1 4 13 3 2 2 1 1 3 5 9 15 39 17 7 3 11 8 5 4 7 21 22 7 23 9 3 5 20 11 4 11 5 3 2 1 1 2 7 8 7 2 1 2 3 1 1 2 2 3 2 2 3 3 3 1 2 1 1 2 2 2 1 3 2 2 3 4 6 9 5 5 18 8 14 22 9 6 3 3 7 20 4 4 2 6 2 34 30 4 2 5 10 2 3 8 3 1 1 1 1 1 1 1 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 3 2 1 4 3 9 14 11 3 2 3 2 0 2 8 100 98 10 3 11 22 23 21 8 9 3 2 7 41 29 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; 1HNMR: 80 80 ddd 1H J 16 76 84 | 73 73 dd 1H J 15 77 | 73 72 m 2H | 50 49 d 2H J 59 | 49 48 dd 1H J 54 72 | 42 41 h 1H J 58 | 34 33 ddd 1H J 8 54 141 | 31 31 ddd 1H J 9 73 141 | 14 14 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NN=CNCC(=O)NC1CCCCC1
ir: 2 1 4 4 5 3 0 3 2 1 2 2 2 4 5 12 16 34 27 9 3 5 5 2 2 2 2 2 3 1 2 4 2 4 2 1 8 4 7 8 13 19 10 8 4 2 3 3 1 1 3 1 1 2 3 7 2 0 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 1 2 1 1 3 4 2 1 0 0 2 3 1 1 1 1 1 3 2 1 1 1 1 1 8 1 1 1 2 0 2 2 4 4 2 2 1 5 2 1 1 1 2 2 2 9 10 3 2 4 2 1 1 2 5 2 1 0 3 3 0 26 100 14 4 4 4 5 10 11 45 33 11 5 1 1 3 17 14 2 1 1 1 1 1 4 11 3 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 5 5 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 3 2 12 84 20 12 7 40 52 27 12 6 7 3 31 31 3 5 4 4 6 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 79 78 dt 1H J 9 68 | 65 64 m 1H | 65 64 s 2H | 62 62 d 1H J 80 | 40 39 m 3H | 18 16 m 4H | 15 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC2CCSCC2)cc1
ir: 2 5 6 2 0 8 6 19 14 22 11 32 62 4 2 2 1 1 1 1 0 3 1 0 37 3 1 1 4 1 2 4 3 2 11 3 1 1 1 1 2 5 58 27 3 12 5 3 1 3 2 2 3 18 4 1 2 4 5 1 1 3 2 7 10 100 38 4 4 11 9 3 2 6 4 3 2 4 3 2 4 16 3 4 35 5 3 6 43 11 1 1 9 34 24 3 2 1 2 3 2 1 0 1 2 2 3 11 11 6 2 4 3 2 3 2 4 4 14 6 6 5 5 6 14 13 13 13 4 2 4 3 3 0 1 1 1 0 1 0 1 0 1 1 2 3 30 15 8 8 1 1 4 1 1 1 1 0 0 1 2 4 0 1 1 0 0 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 3 1 2 3 3 4 3 2 4 2 3 5 6 15 23 40 70 22 9 7 5 3 2 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 75 74 dq 2H J 8 83 | 48 47 p 1H J 50 | 28 28 ddd 2H J 37 64 134 | 27 26 ddd 2H J 37 64 134 | 24 24 d 3H J 8 | 21 20 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)CCCN2CCC(O)CC2)cc(OC)c1OC
ir: 11 6 8 3 5 4 6 4 3 5 3 2 2 3 5 3 2 4 3 2 1 3 3 3 2 4 8 5 9 9 10 3 3 4 3 1 2 4 8 4 3 4 5 2 9 5 2 1 3 8 5 4 4 5 4 4 6 8 4 2 8 6 7 25 14 4 8 7 25 12 20 11 15 10 9 3 7 2 11 13 25 32 12 8 19 40 42 87 54 23 37 11 4 12 9 4 6 25 9 5 7 14 5 6 5 7 5 4 6 6 3 4 3 4 11 3 5 7 5 4 6 3 6 3 8 7 4 14 8 14 12 12 6 4 20 17 9 17 8 14 8 3 7 50 2 2 2 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 16 5 2 2 3 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 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 3 3 4 3 6 18 16 12 15 13 17 7 6 9 9 16 18 10 22 57 36 18 10 6 13 10 45 100 43 35 20 11 9 8 8 4 4 8 3 2 5 2 8 7 7 8 4 4 9 7 9 4 4 2 3 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 72 71 s 2H | 39 38 d 7H J 137 | 38 37 h 1H J 49 | 35 34 d 1H J 48 | 30 29 t 2H J 87 | 28 27 ddd 2H J 62 89 121 | 26 26 t 2H J 64 | 25 25 ddd 2H J 61 89 121 | 20 19 dddd 2H J 49 60 88 126 | 19 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCC(C)(C)C(=O)COc1ccc(Cl)cc1
ir: 5 4 2 2 2 1 2 1 2 2 3 3 1 11 0 2 6 3 2 9 5 2 1 2 3 2 4 2 3 2 3 3 2 2 1 1 2 2 3 4 4 6 1 1 2 0 2 1 3 3 2 8 12 19 63 11 8 12 3 4 2 2 2 5 11 14 10 4 12 9 5 5 2 3 1 2 3 4 2 3 3 1 1 1 3 13 5 2 0 2 2 2 1 1 1 3 3 8 3 6 10 22 6 3 1 2 4 5 1 1 0 1 0 1 1 1 4 4 4 4 12 20 29 9 5 5 3 7 5 7 6 9 6 12 4 2 2 1 3 4 8 20 43 24 80 36 100 26 10 1 5 19 9 1 1 1 1 1 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 4 4 2 2 4 5 2 1 3 2 4 8 6 21 14 44 67 28 20 9 3 5 3 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 70 69 m 2H | 49 49 s 2H | 43 43 s 2H | 21 20 s 3H | 13 12 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=C(n2ccnn2)CC1
ir: 41 24 3 21 36 18 3 21 37 15 2 22 35 14 5 26 32 18 5 27 32 15 6 25 29 10 8 27 27 8 9 28 26 7 11 29 25 6 18 32 24 4 13 36 20 7 100 36 22 2 17 34 20 1 19 38 18 0 18 35 17 2 20 43 16 3 21 32 15 4 22 31 13 5 29 30 11 14 29 30 23 11 32 36 11 16 28 26 9 11 29 26 8 19 29 24 7 13 31 22 5 14 31 21 4 17 33 20 1 28 36 41 3 17 34 21 7 19 34 16 4 20 32 16 6 22 32 16 6 22 30 13 8 23 28 12 8 24 32 18 11 26 26 10 12 29 26 9 12 26 27 44 10 31 24 6 13 30 22 5 25 32 20 4 16 32 19 3 17 33 18 2 18 33 17 3 19 32 16 4 20 30 15 6 21 29 14 7 22 28 13 8 23 27 12 9 24 26 11 10 25 25 10 11 26 24 9 12 27 23 8 13 28 22 7 14 29 21 6 15 30 19 5 16 31 19 4 17 32 17 4 18 31 16 5 19 30 16 6 20 29 15 7 21 28 14 8 22 27 13 9 23 26 12 10 24 25 11 11 25 24 10 12 26 23 9 13 27 22 8 14 28 21 8 16 34 20 7 16 29 19 5 26 32 21 29 28 36 19 35 22 27 17 8 20 28 16 8 21 27 15 9 22 26 14 10 22 25 13 11 23 24 12 12 24 24 11 12 25 23 10 13 26 22 10 14 26 21 9 15 27 20 8 16 28 19 7 17 29 18 7 18 29 18 7 18 28 17 8 19 28 16 8 20 27 15 9 21 26 14 10 21 25 14 11 22 24 13 12 23 23 12 13 24 22 11 13 24 22 11 14 25 21 10 15 26 20 9 16 26 19 9 16 27 19 8 17 28 18 8; 1HNMR: 81 81 d 1H J 27 | 80 79 d 1H J 26 | 62 62 p 1H J 9 | 32 31 td 2H J 9 67 | 27 26 td 2H J 9 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c[nH]c2c(OCOC)ccc(OC)c2c1=O
ir: 4 3 2 3 3 3 2 2 3 2 1 2 2 2 2 1 6 7 6 3 2 1 2 3 4 2 1 2 3 1 1 2 4 6 2 2 5 4 5 3 1 1 2 6 9 2 6 22 6 0 70 31 8 19 19 12 5 8 4 4 2 5 2 5 5 6 7 11 3 8 6 2 4 2 5 6 3 5 7 4 2 1 1 1 1 1 2 3 5 3 4 2 1 1 1 3 1 1 2 1 1 1 2 2 3 2 3 3 4 1 1 1 2 4 3 2 2 5 2 2 2 2 2 2 1 2 2 2 2 1 2 3 6 100 7 1 1 2 2 9 3 3 4 5 14 18 4 3 20 26 14 4 2 4 3 3 53 31 6 3 3 2 2 24 3 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 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 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 7 4 3 5 20 5 2 10 4 3 1 2 2 1 1 1 2 1 1 2 4 1 1 3 5 3 7 3 6 4 3 44 43 10 21 6 7 2 2 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 87 86 d 1H J 66 | 71 70 d 1H J 90 | 70 70 d 1H J 66 | 69 69 d 1H J 90 | 49 49 s 2H | 43 42 q 2H J 71 | 39 39 s 3H | 35 35 s 3H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)NC(=S)NC1=C(Cc2ccccc2)C(Cl)=C(C(=O)c2ccccc2)C(Cl)C1=N
ir: 6 8 4 2 3 2 8 3 2 7 6 4 2 2 5 2 1 2 2 2 2 2 1 2 2 2 3 3 2 3 5 4 4 5 16 11 4 7 6 7 11 14 7 4 3 3 2 1 2 4 4 5 11 21 4 14 9 4 2 0 3 3 1 1 2 3 1 1 5 2 1 2 1 1 2 3 1 1 2 2 1 1 1 0 2 1 1 2 5 11 5 3 13 3 2 4 4 6 2 1 1 9 2 1 2 3 0 1 3 4 3 2 2 2 2 2 3 2 2 2 1 5 10 2 3 1 0 1 3 6 2 2 2 2 15 16 2 4 2 3 3 12 8 16 9 3 2 2 4 13 9 25 61 2 1 1 1 1 3 8 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 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 2 2 3 5 3 7 5 6 100 21 8 2 1 2 1 1 0 1 1 1 1 2 3 3 3 44 41 7 4 3 4 6 4 17 26 11 3 2 1 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 98 98 s 1H | 89 88 s 1H | 79 79 s 1H | 77 76 dq 2H J 17 81 | 76 75 m 1H | 75 74 m 2H | 73 72 m 6H | 52 52 s 1H | 38 37 d 5H J 120
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CC(F)C(=O)O1
ir: 21 11 2 10 19 8 0 10 17 7 1 10 16 7 2 11 15 6 2 11 22 8 3 15 14 4 3 13 13 4 4 14 12 3 5 14 12 2 5 15 11 2 6 15 11 1 7 17 11 1 8 18 9 0 8 17 9 0 10 20 9 0 10 16 11 3 10 17 9 4 13 46 16 8 17 26 8 2 16 14 5 3 12 13 4 4 13 13 4 4 13 12 4 6 19 17 5 11 15 11 3 7 16 15 13 20 26 25 4 10 28 12 1 13 21 14 7 17 21 11 6 13 20 11 7 13 17 9 3 11 14 6 5 14 15 6 3 12 13 6 5 12 13 11 12 100 49 4 5 13 11 3 6 14 11 3 6 14 10 2 7 15 9 2 7 15 9 1 8 16 8 1 8 16 8 1 9 15 7 2 9 15 7 2 10 14 6 3 10 13 6 3 11 13 5 4 11 12 5 5 12 12 4 5 12 11 4 6 13 11 3 6 13 10 3 7 14 10 2 7 14 9 2 8 15 9 1 8 15 8 2 9 15 8 2 9 14 7 3 10 14 7 3 10 13 6 4 11 13 6 4 11 12 5 5 12 12 5 5 12 11 5 6 13 11 4 6 13 11 5 8 15 11 5 9 18 13 5 13 16 16 13 18 27 20 6 10 15 8 3 9 14 8 3 9 14 7 3 10 13 7 4 10 12 6 4 10 12 6 5 11 12 5 5 11 11 5 6 12 11 5 6 12 10 4 6 12 10 4 7 13 9 3 7 13 9 3 8 14 9 3 8 14 8 3 9 13 8 3 9 13 7 4 9 13 7 4 10 12 7 4 10 12 6 5 10 11 6 5 11 11 6 6 11 11 5 6 11 10 5 6 12 10 4 7 12 9 4 7 12 9 4 8 13 9 3 8 13 8 3; 1HNMR: 50 50 t 0H J 60 | 49 49 t 0H J 60 | 48 47 ttt 1H J 18 39 72 | 25 24 ddt 1H J 57 152 168 | 23 21 ddt 1H J 58 152 168 | 18 17 dqd 1H J 38 75 132 | 16 15 dqd 1H J 38 76 132 | 10 9 td 3H J 15 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C)c(-c2csc(Nc3cc(C(N)=O)ccc3OCC(F)(F)F)n2)s1
ir: 19 8 20 12 25 21 35 15 22 16 40 12 8 4 8 7 7 6 7 7 8 7 8 8 17 5 11 4 3 5 4 5 8 10 5 6 4 6 6 2 2 4 5 9 6 15 2 4 8 42 6 15 8 9 10 44 6 4 5 5 13 3 2 4 2 3 9 18 20 9 4 1 8 5 11 2 23 8 14 8 9 4 11 6 4 2 1 1 2 2 4 6 7 5 3 5 5 25 6 2 6 6 5 3 7 10 15 6 7 11 19 16 13 9 9 11 4 6 5 16 11 16 10 18 26 12 29 5 6 13 12 7 8 3 3 3 15 11 4 4 8 35 10 4 2 7 18 43 6 2 6 13 13 21 15 26 12 3 4 4 3 2 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 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 4 6 9 5 3 4 3 10 6 7 3 4 7 13 7 23 35 21 13 49 30 29 90 18 8 9 4 2 2 4 1 0 2 2 1 1 3 10 2 1 4 3 10 18 25 11 4 2 8 100 5 4 3 3 1 1 1 1 0 1 1 1 0 1 1 1 0 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 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; 1HNMR: 90 90 s 1H | 77 77 d 1H J 22 | 76 76 dd 1H J 21 91 | 73 73 s 2H | 70 70 s 1H | 70 69 d 1H J 90 | 48 47 d 1H J 130 | 47 47 d 1H J 130 | 27 27 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=C\CCCCc1ccccc1)C(=O)O
ir: 3 4 5 3 6 7 9 8 5 7 12 5 7 5 3 4 5 34 14 9 5 27 32 71 52 11 0 12 6 3 37 12 6 7 7 4 5 4 4 25 20 11 6 14 5 1 3 4 7 1 3 4 2 1 3 4 3 1 3 4 5 3 7 6 8 2 10 6 11 17 8 8 3 3 10 10 15 80 100 14 6 5 5 5 7 12 10 5 21 12 6 7 2 2 3 2 3 16 4 3 2 3 3 3 2 4 11 7 14 8 7 3 4 4 6 6 4 13 33 32 39 27 21 14 7 6 3 5 4 4 3 4 5 5 7 61 9 5 6 4 3 5 53 66 72 33 20 9 4 5 4 13 18 4 2 2 3 3 5 6 7 4 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 3 4 4 8 4 6 4 4 5 4 4 5 11 13 34 25 64 90 85 30 6 6 4 7 6 2 14 31 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 3H | 72 71 ddt 2H J 9 17 78 | 68 67 dddd 1H J 10 17 36 71 | 26 26 tt 2H J 9 76 | 23 22 dddd 2H J 10 60 79 88 | 19 18 q 3H J 11 | 16 16 pd 2H J 9 73 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1OC[C@@H]2[C@@H](C(C)(F)F)OC[C@@]21c1cc(Br)ccc1F
ir: 4 6 8 3 2 3 4 3 2 7 3 4 3 5 6 3 8 3 3 4 3 7 4 55 2 6 41 6 3 2 2 13 3 3 4 9 3 20 3 2 2 5 4 3 2 3 3 2 2 3 2 2 3 41 21 3 3 3 3 2 3 5 17 8 3 8 7 7 16 10 23 3 3 2 4 16 20 6 6 2 6 3 3 4 4 3 2 3 5 2 3 7 9 7 4 4 8 5 4 4 7 9 5 9 20 11 10 3 3 3 2 3 4 6 3 8 4 4 5 9 9 6 6 7 6 9 30 6 6 4 16 18 6 4 3 3 2 3 3 4 3 2 76 4 0 7 7 100 29 10 3 6 4 5 3 3 3 1 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 3 2 3 4 7 4 3 3 4 6 6 4 6 7 5 8 8 16 29 17 10 33 20 6 4 4 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; 1HNMR: 76 75 ddd 1H J 22 36 66 | 75 74 dd 1H J 21 29 | 71 70 dd 1H J 66 101 | 48 47 tdq 1H J 16 48 81 | 45 44 dd 1H J 18 106 | 43 42 m 2H | 41 40 dd 1H J 24 106 | 32 31 dddd 1H J 20 28 51 77 | 22 22 s 2H | 21 20 d 1H J 14 | 20 20 d 2H J 16 | 20 19 d 1H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc2c3ccccc3n(C(=O)c3ccccc3)c2nc1N
ir: 2 1 1 1 1 1 2 1 1 1 2 1 3 3 1 4 2 4 3 3 1 2 3 2 1 1 1 1 1 1 1 2 2 4 1 3 2 2 2 2 2 2 13 33 51 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 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 3 1 1 2 12 2 3 2 1 7 6 2 6 4 1 1 10 14 3 2 6 100 26 10 1 6 2 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 22 6 5 1 1 1 1 1 0 1 1 1 0 1 2 1 1 6 42 2 1 2 1 1 1 1 1 1 1 1 6 33 10 2 2 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 1 1 0 1 1 0 0 1 0 0 0 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; 1HNMR: 89 89 s 1H | 82 82 dd 1H J 14 63 | 81 81 dt 1H J 9 78 | 79 78 ddt 2H J 18 34 44 | 78 78 s 2H | 75 75 m 4H | 73 73 ddd 1H J 13 71 82 | 72 72 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2cccc(CC3CCNCC3)c2)no1
ir: 1 1 1 3 3 3 3 2 2 11 3 4 2 2 2 1 2 3 3 5 7 17 21 7 8 8 3 3 3 3 4 4 10 11 1 2 1 1 2 2 3 6 7 8 16 22 19 43 34 3 3 2 2 1 3 1 5 6 3 3 5 3 3 1 2 4 13 8 4 3 11 6 6 4 5 7 7 3 4 4 3 2 1 1 1 2 11 19 6 1 2 3 2 5 5 3 4 3 3 5 3 2 2 3 3 2 2 4 6 4 4 2 3 5 22 53 40 26 7 4 5 3 3 2 3 5 7 19 13 13 26 10 4 5 4 6 5 4 14 5 3 1 5 2 1 1 2 1 1 1 1 1 4 3 1 6 4 1 1 0 0 1 4 1 1 1 1 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 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 2 2 3 4 4 2 4 4 1 4 6 14 6 14 100 31 9 4 2 2 1 2 2 2 0 2 3 1 1 6 5 3 13 93 86 29 6 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 ddd 1H J 12 22 97 | 76 75 td 1H J 11 21 | 75 75 dd 1H J 80 96 | 73 72 ddq 1H J 10 20 81 | 52 52 p 1H J 39 | 28 27 dddd 2H J 25 39 51 134 | 27 26 m 2H | 27 26 s 3H | 26 26 s 1H | 26 26 t 1H J 9 | 20 19 hept 1H J 64 | 17 16 dddd 2H J 24 51 62 136 | 14 13 dddd 2H J 24 51 62 135
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2c(/C=C/C(=O)O)ccc3ccc(OC)cc23)c1
ir: 1 1 0 1 2 1 1 3 2 11 8 5 6 6 5 7 4 7 7 9 26 57 45 26 11 5 3 3 2 1 1 3 4 3 1 1 2 1 1 1 1 1 1 2 2 2 2 11 8 3 1 2 2 3 2 1 4 18 5 4 3 2 3 5 3 4 2 3 8 9 7 4 4 5 6 5 13 28 56 80 4 9 13 5 3 4 4 7 3 7 3 2 0 0 1 1 0 0 2 1 0 1 2 5 1 4 8 2 0 2 3 2 4 8 6 1 2 1 2 2 0 1 3 3 2 8 7 5 3 4 9 2 1 1 2 1 1 6 5 5 14 4 3 2 1 6 11 26 5 9 2 5 4 1 6 4 5 13 6 3 1 8 2 1 4 6 3 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 23 14 18 100 36 10 3 4 2 2 1 2 11 16 19 2 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 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 78 m 3H | 77 76 d 1H J 83 | 74 73 m 2H | 73 72 t 1H J 21 | 70 70 dd 1H J 27 90 | 70 69 m 2H | 65 64 d 1H J 167 | 39 38 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CP(C)C(c1ccccc1-c1ccccc1)P(C)C
ir: 0 1 2 1 0 1 2 1 0 1 2 2 1 3 5 1 0 1 2 1 0 1 2 2 3 1 2 1 2 3 9 19 1 3 8 7 6 5 8 13 9 57 25 12 6 3 2 1 1 2 1 0 1 2 1 4 2 3 2 0 2 2 2 1 1 2 3 4 9 14 3 2 5 21 4 4 2 4 3 4 2 2 3 2 2 2 1 1 2 2 1 1 9 4 2 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 2 2 2 0 1 2 1 3 5 4 4 4 2 4 4 3 16 5 2 2 2 5 6 36 33 50 54 13 18 10 3 2 3 4 4 3 4 2 4 5 4 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 2 1 2 2 1 1 3 2 2 4 6 8 10 7 11 33 100 55 15 6 9 4 4 1 1 3 3 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 dd 1H J 16 77 | 75 74 m 2H | 74 73 m 5H | 71 71 m 1H | 28 27 qq 1H J 13 27 | 9 9 dd 12H J 15 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CN(C1(c2ccc(Br)cc2)CCC1)S(=O)(=O)c1ccc(OC(F)F)cc1
ir: 2 2 5 4 3 3 24 3 6 7 17 21 22 9 8 8 8 22 11 25 51 48 29 10 9 3 2 2 2 3 4 2 3 11 8 1 1 1 1 1 12 2 3 8 3 3 3 3 4 2 3 2 3 11 27 16 14 10 6 55 18 11 9 14 3 2 2 5 14 3 2 2 2 2 27 20 5 5 12 60 12 2 39 14 93 27 12 6 19 4 2 4 3 6 2 1 3 10 4 8 4 2 2 1 1 1 0 1 1 1 0 1 1 2 3 7 4 11 17 13 7 7 4 4 27 11 2 2 1 1 0 1 2 2 2 4 4 3 2 3 2 3 3 4 5 5 18 68 7 5 1 2 4 2 1 1 1 0 1 1 2 18 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 2 1 3 2 3 7 14 33 56 19 11 3 2 2 2 3 2 13 100 28 1 2 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 85 85 s 1H | 77 77 m 2H | 75 74 m 2H | 73 72 m 2H | 72 71 m 2H | 66 66 s 0H | 41 40 s 2H | 25 24 dt 2H J 69 112 | 22 21 dt 2H J 69 112 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C2CCCN2C(=O)OC(C)(C)C)cc1F
ir: 3 10 6 6 13 25 14 18 5 16 60 13 17 9 9 7 3 3 2 3 3 4 10 4 9 4 2 3 4 3 1 2 3 2 2 4 4 4 4 4 7 2 2 2 4 4 3 2 1 1 2 5 10 6 40 18 6 4 5 4 2 8 6 2 10 7 14 15 9 5 3 2 3 2 2 6 3 3 6 2 2 1 1 2 1 2 1 3 2 3 3 15 11 7 1 2 2 2 4 12 2 2 3 3 4 13 11 20 93 31 33 17 7 12 16 11 5 8 18 22 29 14 29 17 18 6 5 12 7 32 20 44 22 22 4 12 29 3 3 4 3 1 1 3 3 0 1 6 19 18 19 86 54 31 13 1 3 2 2 1 1 1 12 2 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 3 2 3 4 6 3 2 6 4 4 6 3 4 8 5 8 20 100 31 15 55 36 19 6 2 3 4 2 1 2 3 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 79 79 dd 1H J 51 88 | 72 71 m 2H | 49 48 m 1H | 39 38 s 3H | 37 36 m 1H | 36 35 m 1H | 23 22 m 1H | 22 19 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CC(N)=O)c2cc(NCCC(=O)NN)ccc2n1Cc1ccccc1
ir: 1 6 3 3 5 6 3 9 11 6 6 3 3 3 3 2 3 7 9 4 4 1 4 9 7 6 3 3 1 3 3 8 15 5 7 6 7 7 9 7 11 12 3 12 5 9 5 4 2 2 3 3 1 1 11 5 3 3 3 4 7 12 12 23 6 7 5 7 10 8 7 4 1 1 2 2 4 3 4 2 1 2 7 6 5 2 2 2 2 2 2 1 0 1 1 2 1 3 2 2 1 2 2 2 1 2 3 13 0 1 2 3 2 1 3 2 0 2 4 3 2 2 3 5 2 5 5 1 1 3 8 8 2 9 21 31 6 1 2 5 6 9 3 10 16 18 6 7 3 9 5 8 6 14 6 4 7 10 2 1 1 1 1 0 2 2 1 0 1 1 1 0 1 1 0 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 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 1 2 2 2 1 1 1 1 2 3 10 6 7 31 15 4 4 2 3 1 1 1 2 1 1 2 1 4 5 7 5 23 3 6 6 14 100 40 15 10 5 6 5 10 55 4 1 1 1 2 1 1 2 1 0 1 3 2 1 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 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 t 1H J 40 | 74 72 m 6H | 71 71 d 1H J 82 | 69 68 t 1H J 49 | 68 68 dd 1H J 22 81 | 67 67 d 1H J 22 | 65 64 s 2H | 54 54 t 2H J 8 | 40 40 d 2H J 42 | 36 36 s 2H | 33 33 q 2H J 53 | 24 23 t 2H J 54 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(NC(C)(CO)CO)nc2)c1
ir: 7 5 8 6 3 5 9 29 35 21 12 5 3 4 5 10 16 7 17 20 15 12 16 10 10 5 12 27 52 12 20 18 18 9 2 4 3 2 4 3 6 5 2 3 2 2 3 3 4 3 3 18 26 61 49 36 42 74 4 2 5 10 13 2 8 12 3 14 14 4 6 5 10 19 11 9 3 3 2 2 2 4 8 8 7 4 4 4 27 11 52 13 17 18 39 18 13 18 39 16 7 3 7 5 7 8 6 2 2 2 2 4 3 5 3 4 4 7 10 6 6 2 2 3 3 3 4 7 11 6 8 5 2 1 1 5 7 2 3 40 20 14 26 4 1 9 16 50 73 19 8 17 14 24 5 6 31 9 5 3 5 8 17 23 21 20 6 4 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 1 2 2 1 2 2 3 1 4 8 7 5 22 42 9 8 18 29 19 21 23 12 3 3 2 2 3 5 4 3 2 2 5 3 6 10 9 84 100 92 29 7 4 1 1 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 88 88 s 2H | 86 85 d 1H J 37 | 84 84 s 1H | 77 77 t 1H J 22 | 75 75 t 1H J 24 | 74 73 m 2H | 68 67 s 1H | 48 48 t 2H J 55 | 39 38 dd 2H J 55 114 | 36 36 dd 2H J 55 114 | 23 23 s 3H | 16 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(C#N)(CCC(F)=C(F)F)Cc1ccc(Cl)nc1
ir: 5 3 2 32 15 5 3 2 2 3 3 2 3 2 2 3 2 3 14 9 3 3 6 25 10 4 13 4 6 34 6 9 7 0 14 8 57 8 8 4 9 9 6 7 4 4 5 24 6 3 6 8 9 72 19 5 4 4 3 2 2 2 2 2 2 2 2 4 4 20 6 3 3 3 4 7 4 6 5 2 2 2 3 3 4 2 3 5 11 26 7 6 5 5 3 3 27 5 6 4 3 3 3 3 1 15 1 3 2 3 4 3 9 5 6 9 4 6 18 12 11 12 5 16 21 11 5 4 6 2 18 41 100 23 9 2 3 4 3 2 2 3 2 2 2 4 6 16 28 7 4 11 10 3 3 3 2 3 3 41 7 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 11 2 9 4 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 3 3 4 5 15 6 3 4 5 5 18 19 16 7 10 56 46 8 5 4 6 4 3 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 83 83 dt 1H J 9 19 | 74 73 ddt 1H J 9 19 75 | 71 71 d 1H J 74 | 31 31 t 2H J 8 | 25 24 dddd 2H J 42 50 91 233 | 23 23 td 2H J 34 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCn2c1cc(OCc1ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)cc1)nc2=O
ir: 1 1 2 1 0 1 3 2 1 2 3 2 2 2 2 3 1 1 2 1 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 23 5 2 3 2 2 2 5 2 1 5 7 14 6 3 3 1 1 2 2 1 1 3 3 2 1 7 14 3 4 7 5 8 2 2 2 1 2 3 3 1 1 2 7 1 4 8 2 1 1 2 2 0 1 2 3 22 6 2 3 1 1 7 3 2 1 2 1 4 5 2 2 1 2 2 2 2 1 4 1 2 1 4 2 1 2 2 4 3 2 2 1 1 2 3 1 1 0 4 3 0 1 2 1 1 6 7 4 1 3 5 3 100 6 1 1 2 4 43 5 2 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 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 2 1 4 4 8 38 17 15 12 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 d 1H J 78 | 73 72 m 3H | 70 70 m 2H | 69 69 dd 1H J 21 78 | 54 53 d 3H J 11 | 40 39 m 2H | 36 36 m 2H | 30 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c(C=CC(C)(C)O)c(C)c1C
ir: 15 18 13 20 3 6 5 7 6 7 9 4 3 4 6 7 4 5 6 5 3 3 4 3 2 5 4 2 3 2 5 2 2 4 3 1 2 2 1 1 1 2 2 6 2 3 2 2 1 2 3 4 2 3 2 1 3 1 2 8 6 16 10 24 28 35 18 4 9 15 19 33 13 14 75 100 37 51 33 24 20 27 17 4 13 16 9 12 6 6 3 4 5 4 2 4 4 4 3 3 5 5 8 12 21 12 10 47 62 23 18 5 5 4 5 3 4 9 5 9 5 7 9 5 5 4 10 15 30 23 14 13 19 14 9 16 8 6 5 13 13 7 1 2 2 1 2 5 1 1 1 5 1 0 1 1 1 1 3 25 5 1 2 18 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 3 2 2 3 3 9 3 5 5 5 3 6 8 6 6 24 28 16 31 67 72 29 38 30 6 4 9 4 6 13 25 37 0 7 2 3 4 2 1 2 2 2 3 3 4 9 7 4 3 3 1 4 3 2 2 2 2 3 2 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 66 65 d 1H J 156 | 65 65 s 1H | 60 60 dp 1H J 10 156 | 38 38 s 3H | 27 27 s 1H | 24 23 s 4H | 23 23 s 3H | 21 21 s 3H | 13 13 d 6H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ncnc(Cl)c2C1=Cc1ccncc1
ir: 5 5 5 5 5 5 5 5 6 8 17 7 5 5 5 5 5 5 5 5 5 5 7 5 5 5 5 6 5 5 5 5 6 6 5 5 7 10 36 20 6 7 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 7 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 6 6 7 6 5 5 5 5 5 6 6 6 7 6 6 5 5 5 5 5 5 5 6 7 6 5 5 5 5 6 5 5 5 5 6 5 5 6 7 6 6 6 8 7 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 6 6 10 6 9 6 6 4 5 15 8 0 100 3 4 8 6 3 7 6 5 4 5 6 5 4 5 5 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 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 6 10 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 13 8 6 5 5 5 5 5 5 5 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; 1HNMR: 86 86 m 2H | 85 85 s 1H | 82 82 s 1H | 72 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CS(=O)(=O)c2cnn3c2N(Cc2ccccc2)C(c2ccccc2)CC3(C)C)cc1
ir: 16 14 1 11 13 6 7 10 18 10 27 34 7 12 19 7 10 13 8 18 21 8 12 14 21 13 23 28 19 8 76 11 16 12 25 8 8 8 10 21 30 81 25 21 7 6 6 9 8 6 5 7 12 18 97 22 11 0 6 9 5 7 9 13 17 17 23 47 10 52 12 14 8 3 6 11 5 13 13 9 6 21 16 100 65 9 30 10 12 21 17 16 12 21 30 12 4 11 10 20 7 9 32 43 15 8 24 8 9 21 11 9 5 6 7 6 2 5 11 7 9 8 15 9 10 15 36 9 8 47 14 26 19 16 15 34 15 9 8 4 10 57 13 32 31 19 9 20 7 7 8 5 43 47 9 3 4 6 5 3 4 7 5 2 4 7 5 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 4 3 5 6 3 3 5 6 3 3 6 6 3 3 6 6 3 3 6 5 3 3 6 5 3 4 7 5 2 4 6 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 3 5 6 4 3 5 6 4 3 6 6 3 3 6 6 3 3 6 6 3 3 6 5 3 4 6 6 4 5 7 5 3 5 8 12 6 9 9 7 6 9 25 25 44 98 83 58 21 11 12 6 4 7 7 7 3 6 7 4 3 5 6 4 3 6 6 4 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 2 4 6 5 2 4 7 5 2 4 7 4 2 5 7 4 2 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 3 3 5 5 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 2 4 6 4 2; 1HNMR: 82 82 s 1H | 73 72 m 13H | 72 71 m 2H | 48 48 m 3H | 47 47 m 1H | 47 46 dt 1H J 8 118 | 26 25 dd 1H J 55 136 | 24 23 m 1H | 23 23 s 3H | 17 17 s 2H | 16 16 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cc1cccc(O)c1)CN1CC(C)OC(C)C1
ir: 9 8 4 4 7 7 5 5 6 4 4 5 4 4 6 5 5 5 4 4 4 4 4 4 5 4 4 4 4 7 6 17 5 4 4 4 7 5 4 4 4 4 5 5 4 5 13 3 16 5 5 8 5 4 6 4 5 5 5 6 5 4 5 6 10 5 5 15 24 6 5 9 7 8 5 4 21 29 9 13 51 58 43 17 6 5 6 7 12 5 5 16 8 6 5 6 4 4 7 6 7 6 8 7 4 6 7 7 7 6 5 5 4 5 5 4 3 5 5 5 6 7 5 5 5 6 8 5 5 5 5 4 4 5 5 4 4 6 6 5 8 13 4 5 5 6 5 4 4 4 4 5 8 5 5 32 4 4 4 4 9 6 4 3 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 5 4 4 5 5 4 4 5 5 5 6 5 5 4 5 7 5 4 6 7 6 4 7 13 17 9 16 59 20 5 6 7 5 0 20 100 28 10 5 2 5 6 3 3 4 5 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 72 71 dd 1H J 79 86 | 69 69 ddq 1H J 10 20 81 | 68 68 ddd 1H J 11 20 84 | 66 66 tt 1H J 9 21 | 56 56 s 1H | 40 39 qt 2H J 34 57 | 28 28 m 3H | 26 25 m 4H | 24 23 dd 1H J 62 114 | 21 20 ht 1H J 62 78 | 12 12 d 6H J 55 | 10 9 d 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3ccc(F)c(F)c3)c2=O)CC1
ir: 4 8 14 6 11 9 9 3 2 7 4 1 2 2 0 2 4 2 2 3 3 3 6 2 8 5 11 26 24 15 11 4 9 13 8 7 3 9 5 6 4 2 2 3 3 3 3 7 6 22 59 48 17 17 16 7 7 11 17 3 5 5 6 7 2 3 3 5 22 16 2 0 2 2 1 3 3 2 4 11 17 18 1 0 1 2 3 8 5 2 1 1 1 2 2 5 15 13 2 7 8 3 1 6 13 6 5 14 6 6 8 9 9 5 2 5 8 6 4 5 16 21 25 7 7 5 11 8 7 17 37 24 5 3 2 1 15 22 1 3 4 10 6 9 14 100 32 11 13 82 40 96 24 6 21 12 5 12 44 8 8 31 16 2 1 1 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 0 1 1 1 1 1 1 1 2 1 2 4 2 2 2 3 2 7 5 3 6 2 4 17 31 8 11 38 74 13 2 1 1 2 1 1 1 2 1 2 4 2 1 0 1 1 1 1 1 5 8 29 20 5 3 1 1 1 1 1 2 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 82 m 2H | 76 76 ddd 1H J 23 36 96 | 74 73 ddd 1H J 47 94 102 | 72 72 ddd 1H J 22 32 120 | 46 45 d 1H J 82 | 45 44 tt 1H J 51 78 | 36 35 dtt 1H J 38 65 82 | 20 18 m 5H | 17 15 m 4H | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](N)C2=O)[C@H](C(C)(C)O)C1
ir: 9 8 15 16 5 8 5 5 4 7 3 5 8 5 1 3 5 5 6 4 4 4 8 11 4 6 4 4 7 2 2 3 2 5 9 9 6 2 2 3 2 1 2 4 2 1 2 3 2 1 3 7 5 3 4 10 8 9 20 13 6 7 6 10 14 20 12 8 10 34 41 15 9 7 11 37 23 12 35 42 32 35 49 16 11 8 3 6 9 17 21 6 14 7 9 9 12 10 23 10 7 5 3 3 4 19 27 19 6 7 4 7 6 10 5 3 7 13 14 7 7 12 6 11 28 15 9 20 14 9 15 28 24 45 29 21 22 22 7 5 4 5 6 2 1 2 2 5 34 50 9 1 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 2 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 2 3 3 1 2 3 4 4 4 5 5 4 5 24 16 6 6 4 3 2 2 2 5 6 11 20 4 1 4 6 12 31 36 24 24 18 12 5 8 100 85 5 5 3 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 39 38 m 2H | 36 35 d 2H J 59 | 35 34 ddd 1H J 55 73 126 | 34 33 dddd 1H J 18 55 71 124 | 31 30 dpdd 1H J 15 57 73 88 | 28 28 dttt 1H J 14 28 57 99 | 24 24 s 1H | 24 23 t 3H J 15 | 21 20 dddd 1H J 20 55 75 134 | 19 17 m 5H | 15 14 m 2H | 14 13 dddd 1H J 38 55 84 122 | 12 12 d 3H J 15 | 12 11 m 6H | 11 10 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(N2CCC(N[C@@H]3CCCC[C@H]3N)C2)cc1
ir: 3 2 3 4 4 3 2 2 3 3 3 4 1 2 6 4 4 2 2 1 2 1 1 1 1 1 1 1 3 1 2 1 1 2 3 1 1 2 1 2 3 9 10 5 7 2 9 12 2 4 2 2 3 5 27 18 29 17 27 11 18 6 3 2 2 4 2 2 8 4 8 5 4 16 10 9 4 8 10 6 2 1 2 4 10 4 1 1 2 1 2 1 1 3 3 6 7 3 3 2 5 5 12 7 3 7 2 2 2 4 4 5 9 8 3 5 10 7 2 8 4 4 7 11 5 14 7 5 8 9 9 7 5 6 12 15 18 7 2 1 1 3 3 17 11 3 1 1 2 2 1 5 7 24 4 1 1 1 1 1 2 1 1 2 28 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 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 2 1 2 5 4 2 1 3 2 2 1 20 5 8 26 7 4 2 1 2 2 2 0 2 2 3 1 4 16 16 4 7 5 13 33 15 100 78 5 1 1 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H | 68 67 m 2H | 44 43 q 2H J 64 | 37 36 m 1H | 36 35 ddd 1H J 55 73 129 | 34 33 m 2H | 33 32 dddd 1H J 23 30 53 76 | 29 28 qdd 1H J 22 48 60 | 27 26 dddd 1H J 26 53 60 88 | 22 21 dd 1H J 75 88 | 21 20 dddd 1H J 29 54 72 127 | 19 19 d 2H J 60 | 19 18 m 2H | 18 17 m 1H | 17 15 m 2H | 15 13 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(F)c(C(=O)O)c2[nH]c(NC(=O)c3cc4ccccc4cn3)nc2c1F
ir: 7 4 5 6 10 4 4 5 7 7 20 26 18 13 9 6 8 9 8 11 45 72 45 30 10 18 5 5 5 5 11 13 13 18 34 20 9 8 6 4 5 2 25 9 9 11 6 7 10 9 7 5 9 38 52 16 26 4 6 6 6 5 6 3 4 6 3 7 15 7 5 5 4 12 13 11 12 23 43 7 4 5 5 6 8 5 8 19 17 5 4 3 4 5 3 3 8 19 2 3 7 30 12 10 5 4 4 4 3 7 6 10 7 8 4 5 5 7 5 4 3 3 4 15 4 6 5 10 5 7 12 42 23 16 30 12 7 8 5 3 3 19 12 15 6 3 31 8 5 3 11 9 23 0 16 30 100 23 7 1 14 10 4 3 3 5 4 1 16 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 5 8 9 24 14 7 4 4 4 3 3 5 26 64 12 5 4 5 5 4 4 4 4 4 7 13 16 37 26 81 42 19 7 11 9 5 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 93 93 d 1H J 20 | 91 91 s 1H | 85 85 d 1H J 21 | 80 80 ddt 3H J 16 71 79 | 77 76 ddd 1H J 13 69 88 | 76 76 ddd 1H J 14 69 88 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCc2c1nc[nH]c2=O
ir: 1 1 1 4 3 1 1 1 1 3 3 3 4 1 3 4 14 2 1 1 1 5 4 1 1 1 1 1 1 2 1 1 1 1 1 1 2 12 9 7 16 19 43 8 4 2 2 4 6 4 2 10 8 2 1 1 1 3 2 1 1 1 1 2 1 1 2 12 10 8 6 3 2 2 4 2 1 1 1 4 6 2 1 1 1 1 1 1 1 2 3 4 4 1 1 1 1 1 1 1 1 1 3 6 6 7 0 1 2 5 4 8 7 2 1 2 3 2 2 2 1 1 4 6 5 8 6 3 4 8 1 1 1 1 1 1 1 1 1 1 10 13 4 8 5 1 1 1 1 2 23 21 1 2 2 1 1 2 2 0 100 96 1 3 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 0 2 2 0 4 20 6 7 5 5 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 84 d 1H J 73 | 46 46 tq 1H J 15 41 | 33 33 d 3H J 15 | 26 25 ddd 1H J 45 63 146 | 25 24 ddd 1H J 44 62 147 | 20 20 ddt 1H J 42 62 121 | 18 17 ddt 1H J 43 62 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(O)OCN1c1ccc(Cl)c(Br)c1
ir: 14 7 1 3 3 2 0 1 4 2 5 2 3 4 19 1 1 1 2 3 3 8 4 3 1 0 1 2 10 8 2 1 1 4 5 32 5 1 1 1 1 1 1 1 1 1 2 3 1 0 1 2 3 0 24 5 8 9 3 3 26 6 7 6 2 3 14 29 11 3 2 1 3 3 8 59 5 6 3 5 4 12 9 16 38 32 22 22 17 6 2 5 5 6 2 2 2 3 7 4 3 1 3 1 3 7 10 4 2 2 2 1 1 2 3 2 2 2 1 1 2 2 2 3 1 4 1 1 1 1 7 1 1 1 0 1 2 13 1 1 1 1 1 1 1 1 1 6 21 69 9 1 3 23 3 1 1 1 1 1 2 8 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 3 4 2 1 2 1 3 2 6 5 8 6 5 35 30 3 8 8 4 10 19 100 73 10 8 0 6 6 2 2 4 2 1 3 2 2 1 2 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 0 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 d 1H J 22 | 73 73 d 1H J 85 | 72 72 dd 1H J 22 86 | 55 54 m 2H | 53 53 d 1H J 97 | 46 46 d 1H J 31
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(-c3ccc(F)cc3)cc2N)cs1
ir: 11 9 15 7 8 6 5 6 7 5 7 8 6 5 2 4 3 2 2 7 3 2 2 5 4 3 3 4 2 2 1 2 2 2 3 4 5 4 3 3 2 2 2 3 3 2 3 3 8 2 7 19 11 28 14 10 23 5 5 10 12 12 36 7 16 6 10 7 12 13 7 2 2 2 2 2 3 4 12 4 4 5 2 2 2 2 4 10 8 8 3 12 10 16 8 3 4 7 2 4 4 15 11 18 11 8 2 2 2 3 2 3 3 6 12 6 6 9 10 22 30 28 17 7 5 3 8 31 21 49 19 13 6 3 3 4 4 4 5 5 2 3 7 39 19 0 10 36 6 5 7 18 7 4 3 4 12 69 15 4 13 5 2 1 1 4 3 2 1 2 1 1 1 2 2 1 2 2 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 2 2 1 2 2 1 1 4 5 8 8 4 3 4 4 5 5 3 5 6 12 16 44 100 39 51 99 39 13 10 4 5 4 4 3 2 2 2 2 2 1 2 2 3 15 13 5 2 1 2 2 2 2 2 1 2 8 70 13 2 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 2H | 72 71 m 5H | 69 68 d 1H J 83 | 68 68 t 1H J 8 | 43 43 m 5H | 30 29 td 2H J 9 53 | 18 18 s 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(C(C)C)c(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NC1Cc2ccccc2C1
ir: 3 4 3 4 3 3 7 2 2 7 8 25 8 11 8 6 12 3 1 1 2 1 3 1 0 1 1 1 1 1 1 3 5 2 1 1 1 2 6 11 4 5 14 7 2 3 2 4 14 8 3 3 1 4 14 42 7 1 1 2 2 2 13 4 10 9 14 13 12 11 2 1 4 2 2 15 5 2 2 3 1 15 1 9 89 100 5 15 11 2 1 2 1 3 2 3 6 5 3 7 22 14 29 28 4 7 4 2 3 2 1 7 15 4 3 2 2 2 3 1 2 2 7 9 12 2 1 5 4 3 2 2 3 2 1 1 3 2 3 21 2 1 1 2 1 2 35 5 5 17 2 1 1 1 1 1 1 1 4 3 19 1 1 1 2 1 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 0 0 0 0 0 0 0 0 1 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 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 2 1 4 4 5 7 8 7 74 13 4 3 1 5 1 1 1 1 2 1 0 1 1 0 0 1 2 1 1 28 32 4 2 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; 1HNMR: 84 84 s 1H | 80 79 m 2H | 77 77 t 1H J 10 | 74 73 m 2H | 72 71 d 4H J 13 | 59 59 d 1H J 93 | 41 39 m 3H | 32 31 dd 2H J 60 139 | 29 28 dd 2H J 60 139 | 13 13 dd 12H J 19 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(COCc1ccccc1)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl
ir: 5 7 5 3 4 4 4 3 4 4 5 7 39 7 39 10 39 26 21 7 5 6 11 22 17 6 11 9 41 12 17 12 8 5 5 10 6 11 15 36 16 5 4 23 48 11 13 7 4 6 5 4 3 8 14 9 25 16 8 3 3 4 2 2 5 4 10 17 9 5 2 1 3 4 3 2 2 4 9 11 3 8 2 4 4 4 3 2 7 3 1 3 4 3 0 3 6 9 1 7 3 3 7 4 4 6 4 2 3 3 3 8 29 10 3 11 46 4 2 6 6 15 8 3 5 5 7 8 12 55 4 3 3 2 4 25 8 2 2 17 6 2 5 100 19 6 50 7 27 18 23 31 8 2 1 2 4 18 9 3 4 15 10 6 13 1 2 3 1 1 2 2 1 0 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 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 2 2 5 3 2 2 2 1 2 4 3 6 16 12 13 75 39 8 4 2 5 6 2 2 3 3 1 2 4 4 2 1 4 3 4 4 5 11 9 29 22 81 33 7 4 6 3 2 2 2 3 2 3 2 1 2 2 2 1 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 87 d 1H J 59 | 85 85 d 1H J 40 | 82 81 d 1H J 59 | 78 78 s 1H | 76 76 d 1H J 22 | 74 72 m 6H | 71 71 d 1H J 81 | 49 49 s 2H | 46 45 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(C(=O)c1ccccc1)N(C)C
ir: 2 5 7 2 6 2 3 1 1 1 1 2 1 2 4 6 5 14 17 10 3 6 9 8 15 8 7 10 5 10 6 51 56 30 13 21 3 3 4 6 34 31 6 2 3 1 3 4 2 2 2 1 2 8 15 8 2 1 0 1 2 1 2 6 4 6 29 37 7 13 8 5 3 2 6 1 4 4 4 11 2 2 3 3 1 3 23 20 9 15 5 7 3 2 5 3 9 5 4 2 2 1 2 0 1 3 4 2 2 1 1 1 0 1 1 2 2 3 3 6 9 4 14 11 5 10 5 5 14 13 8 12 1 3 15 5 2 3 9 4 12 95 100 22 13 22 9 9 3 1 1 2 1 0 0 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 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 0 0 0 0 1 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 0 1 0 0 1 4 2 1 1 1 2 2 2 2 3 1 9 5 4 7 14 12 33 61 18 12 4 5 2 3 2 1 1 1 1 1 0 1 1 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; 1HNMR: 80 79 m 2H | 76 75 m 1H | 75 74 m 2H | 51 51 dh 1H J 15 29 | 24 24 d 6H J 15 | 22 22 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ncnc2c(-c3ccsc3)cccc12
ir: 4 2 0 3 7 2 0 3 4 2 2 6 27 3 1 6 4 4 1 3 3 2 2 3 4 4 5 6 4 2 2 4 5 4 4 9 11 8 7 14 10 36 60 96 24 11 18 11 12 15 11 6 38 15 8 8 4 1 3 6 5 5 4 7 9 5 4 8 3 0 5 14 11 1 3 4 2 1 4 8 3 3 5 4 2 1 4 5 0 45 22 16 5 4 14 5 4 7 11 26 10 4 5 4 2 2 4 2 8 25 7 3 1 2 4 3 1 3 7 4 1 5 17 18 3 4 5 2 2 8 17 6 1 3 4 3 2 6 10 43 11 21 10 3 3 4 24 24 3 6 9 15 5 10 16 2 2 3 3 1 2 4 3 5 3 5 3 1 5 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 4 2 3 6 5 9 25 100 73 39 32 46 76 17 7 6 5 2 4 4 2 2 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 87 87 s 1H | 82 81 dd 1H J 7 94 | 79 78 m 1H | 76 76 dd 1H J 86 93 | 75 75 m 2H | 74 74 dd 1H J 18 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CC(O)(Cn1cc(Cl)c(=O)c2cnccc21)C(F)(F)F)c1cccc2c1OCC2
ir: 3 2 6 5 2 3 2 2 1 4 3 2 5 6 6 3 4 2 3 1 3 1 1 1 1 1 2 1 1 2 2 1 1 3 1 1 3 12 6 1 2 3 4 13 3 3 6 4 1 1 2 1 1 2 2 3 5 7 2 1 1 3 3 0 2 5 3 1 4 2 2 2 2 4 5 2 4 11 4 8 3 4 8 5 3 7 3 5 4 5 10 8 9 16 5 8 5 9 3 5 4 2 3 4 5 3 3 3 2 2 5 3 3 8 1 1 3 2 1 2 2 4 3 3 1 2 1 1 1 1 2 2 1 1 1 1 18 3 1 2 5 3 3 2 2 1 2 2 11 4 2 2 1 2 3 1 2 3 3 5 3 9 13 5 3 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 3 2 5 2 3 2 3 5 6 2 6 19 15 6 8 7 9 8 49 100 31 19 6 1 4 3 1 1 2 2 1 1 1 2 1 1 2 3 2 1 2 3 1 1 1 1 1 1 2 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 d 1H J 14 | 85 85 dd 1H J 14 47 | 75 75 t 1H J 9 | 71 71 m 2H | 71 70 dq 1H J 10 75 | 70 69 t 1H J 77 | 46 45 dqd 1H J 9 24 117 | 44 44 t 2H J 42 | 44 43 m 2H | 31 31 td 2H J 9 42 | 22 21 dq 1H J 25 134 | 19 19 dq 1H J 25 132 | 15 14 s 2H | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][n+]1nc(Cl)ccc1Oc1ccccc1C1CC1
ir: 1 5 10 6 1 6 8 4 1 4 7 3 1 4 6 3 1 5 6 3 1 5 6 2 3 7 9 15 58 24 7 4 4 7 6 3 4 7 5 2 13 45 57 16 16 15 7 3 5 9 12 69 38 26 15 2 5 7 3 0 4 7 5 4 4 6 4 1 5 8 4 1 5 7 5 4 5 7 2 4 5 6 2 2 6 6 7 8 8 20 21 3 8 6 2 4 12 10 6 4 6 5 4 6 6 5 3 5 7 4 1 4 6 5 1 4 8 5 1 4 7 3 1 4 7 5 25 28 6 3 2 5 5 4 4 5 13 10 10 16 10 9 40 100 13 3 9 22 41 19 9 52 56 6 7 9 6 3 6 20 5 1 4 6 4 1 3 6 4 1 4 7 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 1 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 5 2 3 6 4 1 3 6 4 1 4 6 5 1 4 11 11 3 8 19 33 44 96 27 17 15 11 6 5 3 4 6 3 3 4 5 3 3 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5; 1HNMR: 73 72 ddd 1H J 16 74 86 | 72 72 ddd 1H J 7 15 80 | 72 71 m 1H | 70 69 dd 1H J 12 85 | 28 27 m 2H | 26 25 d 1H J 68 | 11 10 m 2H | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(-c2c3ccccc3nc3ccc(N)cc23)c1
ir: 7 2 11 12 4 9 4 5 4 2 5 2 2 2 2 5 7 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 4 1 2 2 1 1 0 1 11 14 4 1 0 1 2 2 0 8 6 2 2 36 41 1 1 1 1 4 4 1 2 2 1 8 5 2 2 19 16 3 3 2 0 2 2 14 1 1 1 2 1 1 2 1 4 3 1 5 8 1 1 5 5 2 3 1 1 1 1 1 1 1 10 2 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 3 1 2 1 1 2 1 0 1 2 1 1 1 1 1 9 7 1 1 1 2 2 2 5 8 7 1 17 11 11 24 84 75 6 4 2 0 5 4 2 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 2 6 10 33 11 5 4 1 1 2 1 1 1 1 1 0 1 1 0 1 0 38 29 0 1 1 1 0 1 1 0 1 2 100 41 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 dd 1H J 15 83 | 81 81 dd 1H J 16 75 | 79 79 td 1H J 13 72 | 77 77 d 1H J 80 | 77 76 ddd 1H J 13 69 84 | 76 76 m 1H | 73 73 d 1H J 22 | 72 71 m 1H | 71 70 m 2H | 50 49 s 2H | 24 24 d 3H J 10 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cccc(-n2nnn(C)c2=O)c1COC
ir: 2 1 1 2 2 2 2 1 0 1 7 8 2 2 1 3 2 3 3 1 1 1 1 2 2 3 3 2 3 4 3 2 7 4 1 9 100 3 3 4 21 3 4 2 3 3 6 6 14 17 10 15 1 1 1 0 3 4 4 1 1 1 1 0 1 2 4 2 2 3 3 10 5 4 4 2 1 2 6 1 2 4 2 2 1 2 1 2 1 1 2 4 2 2 7 10 1 1 1 0 2 1 2 5 4 1 1 2 2 3 7 22 1 1 0 0 1 1 1 1 2 3 3 3 2 1 2 5 1 1 0 1 1 4 18 6 4 2 2 7 25 4 7 2 2 1 1 2 3 2 1 1 1 0 1 2 4 56 25 2 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 3 1 10 3 4 2 7 13 9 49 28 7 7 16 6 7 5 2 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; 1HNMR: 75 74 dd 1H J 11 66 | 73 72 t 1H J 67 | 72 72 dd 1H J 16 69 | 68 68 dd 1H J 112 165 | 56 55 dd 1H J 24 167 | 54 54 dd 1H J 24 110 | 47 47 s 2H | 36 36 s 3H | 35 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(=O)N1CCc2nnc(Cl)cc2C1
ir: 0 2 3 2 3 3 10 2 1 2 3 3 8 6 17 7 2 4 3 2 1 3 5 1 1 3 3 2 1 2 5 5 8 11 9 8 12 24 21 9 12 9 30 43 11 19 3 2 3 4 5 4 2 3 1 0 2 2 3 3 4 3 3 5 7 13 17 7 6 5 3 2 2 2 1 0 2 2 1 0 2 3 4 2 4 3 2 4 8 8 5 9 5 3 2 2 13 8 1 1 3 2 2 2 4 5 7 10 3 4 8 5 1 7 10 2 4 7 2 6 4 12 16 6 5 4 2 3 7 9 10 7 4 7 11 14 9 7 9 4 5 8 16 11 11 3 6 26 35 25 5 1 1 2 3 3 1 13 2 4 2 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 3 1 1 2 4 5 2 3 2 1 3 3 3 21 9 17 11 100 33 7 4 4 3 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 m 1H | 77 77 s 1H | 74 73 m 2H | 71 71 ddd 1H J 8 15 77 | 47 46 d 2H J 10 | 39 39 dd 2H J 50 56 | 29 29 m 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CC(=O)c1cc(OCc2ccccc2)cc(C(=O)O)c1
ir: 1 1 2 2 3 9 1 4 1 2 2 3 2 2 3 4 17 11 8 4 17 26 27 12 3 3 4 5 11 4 7 7 8 5 10 6 3 8 11 9 10 21 5 2 1 2 1 1 2 2 1 1 0 1 1 0 1 1 3 1 1 1 1 0 2 3 6 24 12 7 4 2 3 4 0 1 4 6 19 8 1 17 11 4 4 1 2 3 3 5 1 1 0 1 1 1 1 1 3 1 1 2 2 9 4 3 1 1 1 1 5 9 4 1 1 1 0 5 12 2 2 1 1 2 5 5 1 3 6 9 4 2 2 2 4 9 45 5 3 3 2 1 2 23 10 36 20 1 1 2 2 4 2 4 5 1 0 0 0 0 1 2 3 1 1 1 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 3 8 13 27 100 30 11 2 2 1 2 2 2 7 25 17 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 84 83 t 1H J 21 | 78 78 t 1H J 22 | 77 77 t 1H J 22 | 74 74 m 2H | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 50 49 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCOc1cc(OC)cc(C(=O)NC2CCNCC2)c1
ir: 6 3 2 2 2 6 8 2 3 4 3 2 2 1 2 1 2 1 1 1 1 2 3 3 11 10 6 5 5 5 4 1 1 2 2 14 2 3 8 6 21 100 12 7 5 6 10 6 6 18 6 0 10 25 23 33 23 6 2 7 1 3 5 12 13 20 19 12 30 11 8 28 4 3 3 7 2 1 2 6 1 0 1 1 0 2 1 1 0 0 2 2 1 4 2 1 1 2 6 4 4 4 6 1 1 1 4 4 2 7 81 38 18 15 14 15 13 15 33 9 13 6 4 5 14 4 14 7 11 11 5 2 4 9 8 2 1 1 1 2 1 5 7 17 54 51 9 46 18 2 5 4 35 3 1 0 0 2 2 2 4 7 2 2 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 2 3 3 7 4 4 5 5 5 2 4 4 5 16 9 7 33 27 14 5 2 2 2 1 1 1 2 1 1 1 2 2 5 3 5 12 70 7 2 7 21 23 5 6 4 4 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0; 1HNMR: 71 71 m 2H | 71 70 t 1H J 22 | 66 65 t 1H J 23 | 41 40 t 2H J 63 | 38 38 dq 1H J 49 75 | 38 38 s 3H | 37 36 m 3H | 30 30 dddd 2H J 25 41 51 141 | 29 28 dddd 2H J 24 41 51 141 | 25 24 t 2H J 89 | 21 20 tt 2H J 63 88 | 20 19 dtd 2H J 25 51 139 | 17 16 dtd 2H J 24 50 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1COCCN1c1cc(CI)nc(Cl)n1
ir: 1 2 1 1 3 3 1 4 2 1 2 1 3 3 2 1 4 2 9 2 1 4 1 3 1 1 1 1 1 3 4 3 4 4 7 8 7 9 8 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 4 8 8 9 4 3 1 6 3 1 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 3 1 3 4 4 3 2 2 4 4 2 1 2 2 1 2 2 2 2 2 1 2 1 2 2 2 1 1 2 1 2 2 1 1 1 1 2 1 1 3 3 3 5 2 3 1 1 1 2 1 2 21 3 2 100 7 2 2 2 0 0 2 1 0 1 1 2 1 5 4 16 4 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 5 4 2 2 7 11 4 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 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 62 62 t 1H J 9 | 43 42 d 2H J 10 | 39 36 m 6H | 35 34 ddd 1H J 38 62 143 | 13 13 d 3H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1Br)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
ir: 2 2 3 2 5 5 0 3 3 6 5 4 6 2 1 2 3 2 2 4 4 9 1 3 12 3 2 3 4 9 3 9 8 5 4 7 8 3 17 4 6 17 24 8 20 8 9 6 8 3 9 8 13 16 20 4 2 5 6 4 3 13 15 3 11 0 2 2 11 12 4 3 2 5 2 3 3 2 3 9 8 2 2 5 22 6 3 3 11 9 6 4 3 10 49 19 1 2 5 18 3 2 4 13 15 7 2 2 1 10 2 1 0 2 5 3 1 3 5 5 12 17 100 41 23 9 9 12 4 3 1 1 2 1 2 2 11 4 2 2 9 14 3 2 2 4 2 4 7 3 3 2 2 2 8 3 1 1 2 3 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 5 13 56 23 20 4 3 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 2 2 3 5 10 33 48 8 4 3 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 18 | 81 81 dq 1H J 10 20 | 81 80 d 1H J 17 | 79 79 dd 1H J 16 75 | 78 77 m 2H | 77 76 d 1H J 85 | 75 75 td 1H J 14 75 | 74 73 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1CCC=CN1C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
ir: 1 1 1 1 1 1 1 1 2 1 2 1 3 1 1 1 1 1 1 1 0 1 1 5 2 1 1 1 1 5 6 4 2 2 2 1 8 9 10 20 6 8 5 0 1 1 2 2 1 1 1 0 1 2 2 0 1 1 2 0 1 1 1 4 1 1 3 2 1 2 2 2 2 1 1 3 1 1 1 1 2 1 1 2 1 1 1 1 1 2 0 1 1 1 0 1 1 2 2 1 1 1 1 1 2 1 2 1 1 3 2 3 2 2 3 1 1 1 1 1 7 4 3 5 14 2 1 3 2 2 2 1 19 2 5 8 2 2 10 1 1 1 9 16 2 2 4 3 2 1 1 1 1 4 100 3 8 0 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 2 2 2 2 1 8 3 9 26 7 5 2 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 79 79 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 73 72 m 2H | 73 72 m 1H | 71 71 ddt 2H J 8 14 70 | 69 68 ddt 1H J 9 18 81 | 57 57 dddd 1H J 10 23 50 90 | 51 50 t 1H J 51 | 45 45 m 1H | 33 33 ddt 1H J 9 52 127 | 31 30 ddt 1H J 8 51 126 | 22 21 m 2H | 21 20 m 1H | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1CC=C(c2ccc(C)cc2C2CC(C)(C)CC(C)(C)C2)CC1
ir: 0 2 3 1 1 1 3 2 4 6 4 4 3 2 7 10 6 11 4 3 2 1 1 2 6 3 2 7 18 1 0 0 0 0 0 0 0 1 1 0 1 8 7 3 2 5 1 0 1 3 4 2 2 11 3 3 3 12 12 5 3 5 14 12 14 11 13 15 7 4 6 8 20 4 5 1 1 1 2 1 23 5 4 2 13 24 4 5 35 2 3 2 4 4 6 4 5 5 5 19 5 9 19 3 2 2 2 7 4 2 0 4 7 16 4 3 9 8 9 9 6 8 10 14 7 8 4 3 3 11 9 7 3 6 3 8 5 3 5 7 3 2 1 4 7 4 6 3 5 8 12 3 2 13 1 3 2 0 0 0 1 1 7 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 3 1 4 3 7 6 5 5 6 4 9 3 7 16 54 23 39 100 32 4 6 3 3 1 1 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 0; 1HNMR: 72 72 d 1H J 81 | 71 70 d 1H J 20 | 70 70 ddd 1H J 9 22 88 | 60 60 tt 1H J 9 35 | 33 33 dt 2H J 10 33 | 29 28 dd 2H J 44 55 | 28 27 m 3H | 25 25 t 2H J 59 | 23 23 d 3H J 8 | 19 19 dd 2H J 58 130 | 17 16 dd 2H J 59 130 | 15 14 qt 2H J 59 79 | 14 14 s 2H | 10 10 s 5H | 9 9 d 10H J 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=NO)CCC3)c(Br)c1
ir: 0 2 5 2 1 11 6 6 6 5 4 5 1 3 10 8 3 2 2 4 4 1 1 1 1 2 0 1 0 1 2 0 2 1 2 2 11 4 16 4 1 4 5 17 1 0 1 1 0 1 1 0 1 1 1 1 0 0 1 8 1 0 1 0 1 0 1 1 2 3 1 3 1 1 3 1 1 1 7 6 1 1 4 1 4 1 0 0 1 1 1 1 4 2 2 2 3 2 1 3 11 2 2 1 1 1 1 1 5 0 0 1 1 2 1 2 1 21 1 2 1 1 2 0 1 1 2 2 1 1 0 0 0 0 0 0 1 4 3 10 2 1 2 10 1 0 0 3 1 1 6 1 6 2 10 4 1 2 92 1 1 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 1 1 1 1 1 1 1 2 2 6 7 16 3 2 2 1 1 3 100 18 7 1 2 3 1 3 1 11 18 1 1 0 5 1 0 0 1 1 0 1 9 48 6 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; 1HNMR: 90 90 s 1H | 82 82 d 1H J 22 | 81 80 dd 1H J 14 70 | 79 79 dd 1H J 22 79 | 77 76 d 1H J 78 | 75 74 m 2H | 74 73 m 3H | 32 30 m 2H | 28 27 m 2H | 21 20 ddt 2H J 55 64 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)NC[C@@H]1C[C@H]1CN1CCC(C(=O)c2ccc(F)cc2)CC1
ir: 21 30 8 3 4 2 4 2 5 9 6 10 9 5 4 3 6 7 4 3 2 3 7 5 25 37 68 47 67 29 19 16 6 5 8 18 12 22 14 10 10 19 16 13 21 23 8 7 4 3 3 6 2 7 13 16 14 16 9 3 3 4 5 1 4 5 6 9 22 6 3 3 1 15 5 4 6 4 7 17 15 11 6 5 16 21 6 23 23 19 10 6 3 2 6 3 3 3 12 13 8 9 9 6 8 4 11 12 4 3 3 4 10 6 11 9 8 15 10 16 17 20 13 11 8 11 7 6 11 13 15 13 7 6 1 2 3 3 5 3 27 85 34 41 23 31 23 17 38 87 44 14 5 4 3 2 2 4 1 1 1 1 3 1 1 1 0 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 6 5 3 2 5 2 4 13 14 24 71 24 55 46 25 6 6 7 4 2 3 3 3 2 1 2 2 1 1 2 3 1 2 3 6 3 29 23 100 37 5 2 1 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 74 74 ddt 2H J 17 86 99 | 47 47 t 1H J 54 | 34 33 m 1H | 32 31 p 1H J 57 | 31 30 m 1H | 29 28 ddd 2H J 53 81 123 | 27 26 m 3H | 25 24 m 1H | 22 21 ddt 2H J 55 81 124 | 19 18 ddt 2H J 55 81 124 | 14 14 s 7H | 13 12 m 2H | 11 10 ddd 1H J 64 73 82 | 9 8 ddd 1H J 66 72 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1cccc(Cl)c1C
ir: 6 14 16 4 3 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 3 11 3 5 7 28 31 9 10 40 19 6 2 2 2 1 2 2 0 1 3 41 100 28 0 1 3 1 1 1 2 1 0 1 1 1 0 1 2 3 19 5 2 3 1 1 1 0 1 1 3 1 1 1 1 1 3 2 1 0 0 1 1 0 1 4 10 6 2 1 1 0 1 1 1 1 8 3 1 2 3 3 2 1 1 3 6 5 1 1 1 1 2 2 1 1 1 1 1 0 1 1 8 1 1 1 0 0 1 1 1 2 9 19 3 5 11 46 7 1 1 1 1 31 12 4 62 29 4 2 3 21 2 6 12 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 1 1 1 1 1 1 1 1 1 3 3 2 3 9 6 5 21 47 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 7 25 30 10 2 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 s 1H | 74 74 dd 1H J 12 81 | 73 73 dd 1H J 13 79 | 72 71 t 1H J 81 | 30 30 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cc(CO)c(=O)n(Cc3c(Cl)cccc3Cl)n2)ccc1F
ir: 4 5 2 2 7 1 1 2 1 2 4 3 3 2 4 3 2 7 2 2 2 1 7 4 10 7 4 2 1 2 3 1 1 2 3 1 2 1 1 1 1 1 1 2 2 5 9 15 3 3 1 4 3 5 13 22 2 1 2 1 2 1 3 2 1 3 2 2 2 0 2 9 11 9 7 1 1 1 2 3 1 1 1 2 4 4 4 8 8 20 20 28 13 10 7 7 2 5 1 1 1 1 0 0 0 1 0 1 2 4 2 4 3 3 3 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 3 2 1 1 1 3 6 6 12 14 12 6 2 6 2 1 0 1 1 1 8 12 7 3 2 19 0 1 1 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 3 5 8 13 33 23 6 9 18 14 23 94 100 34 11 12 6 3 1 2 2 1 0 1 1 1 1 2 2 1 0 1 1 1 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 13 | 75 75 ddd 1H J 22 40 77 | 74 73 m 1H | 74 73 s 3H | 71 71 dd 1H J 78 102 | 54 53 s 2H | 46 46 dd 2H J 13 64 | 39 38 t 1H J 63 | 23 23 d 3H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc([C@H](C)CC(=O)c2ccc(C3CCCCC3)cc2)c1
ir: 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 2 6 2 3 2 2 25 8 1 1 2 2 3 11 3 2 1 1 4 1 2 4 2 1 2 10 4 5 4 36 11 3 2 3 2 6 3 6 3 8 8 1 1 1 1 3 2 3 3 2 4 9 4 3 3 1 2 0 1 1 0 1 2 1 1 1 0 0 0 0 2 5 4 5 2 2 4 1 1 2 4 1 1 1 0 1 1 2 1 0 3 2 3 9 5 3 2 6 3 2 3 3 3 3 2 2 4 4 2 4 6 6 2 8 1 1 1 1 1 0 0 4 5 12 54 3 3 2 1 0 1 1 7 3 6 4 2 13 1 1 1 0 0 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 1 3 3 1 2 3 2 3 3 8 17 4 8 100 23 7 2 0 2 1 1 2 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; 1HNMR: 78 78 m 2H | 73 73 m 2H | 72 72 t 1H J 79 | 71 70 dq 1H J 10 79 | 69 68 dt 1H J 11 77 | 68 67 q 1H J 9 | 38 38 s 2H | 34 33 m 2H | 32 31 dd 1H J 78 161 | 27 26 m 1H | 19 18 ddt 2H J 57 82 132 | 17 16 m 2H | 16 15 m 2H | 15 15 m 1H | 15 14 m 4H | 14 13 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2occc2n1COC(=O)c1ccccc1
ir: 10 7 2 3 5 3 4 3 1 7 10 7 81 5 1 4 2 3 5 5 7 3 2 3 4 6 4 32 15 21 43 6 4 12 3 2 2 2 7 4 10 39 7 6 5 1 1 2 2 4 1 1 1 2 2 1 1 2 1 1 1 3 3 1 3 4 5 4 19 19 5 8 13 7 15 16 7 35 12 3 5 10 6 8 5 3 4 13 3 2 1 2 6 5 3 2 5 15 0 1 1 2 0 1 2 1 0 1 2 3 15 8 9 38 28 31 14 11 2 2 5 4 7 37 11 10 9 3 12 7 26 11 52 29 8 3 2 2 2 4 3 9 63 16 14 19 17 11 4 11 100 12 3 2 5 3 2 1 1 2 3 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 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 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 3 2 1 1 2 3 2 3 2 2 1 1 3 7 7 16 21 21 44 66 53 14 7 4 1 7 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H | 77 77 d 1H J 14 | 76 75 m 1H | 75 74 m 2H | 70 69 s 1H | 68 68 d 1H J 15 | 60 60 s 2H | 43 42 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]1(N2C(=O)c3cccc(NC(=O)CCl)c3C2=O)CCC(=O)NC1=O
ir: 1 1 4 1 1 1 0 1 1 1 3 2 1 1 0 0 2 3 2 7 0 2 1 1 1 1 2 1 0 0 0 1 1 1 1 1 1 2 4 4 3 7 16 5 4 8 7 17 21 2 9 32 17 100 7 3 4 11 1 4 3 1 1 1 0 0 1 2 4 1 1 1 0 0 1 2 0 0 0 0 1 0 2 2 1 0 1 0 1 3 2 1 0 1 2 1 2 2 3 1 0 1 4 1 0 1 1 1 0 11 2 1 0 0 1 3 2 4 2 2 7 5 2 2 2 2 2 1 1 4 31 2 2 6 7 1 1 1 2 1 3 2 10 12 5 20 34 3 1 5 3 33 8 6 73 8 4 4 32 38 4 10 3 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 0 0 0 0 0 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 1 0 0 0 0 0 0 1 1 1 1 1 1 1 3 1 1 1 1 2 2 5 8 1 4 12 21 2 1 1 1 2 1 1 1 0 1 1 1 1 1 2 3 2 1 2 1 4 20 23 17 5 2 3 1 1 3 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H | 81 81 dd 1H J 11 79 | 77 77 dd 1H J 12 69 | 77 76 dd 1H J 70 79 | 42 42 s 2H | 27 26 m 1H | 26 25 m 2H | 23 22 m 1H | 17 17 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc2ccc(Br)cc2cc1C(c1ccccc1)n1ccnc1
ir: 1 1 1 2 2 2 16 2 6 3 6 4 2 2 0 1 1 1 2 2 6 1 6 3 1 1 0 2 4 2 12 4 3 1 2 1 5 25 61 12 9 97 13 24 5 25 2 3 9 3 2 1 1 1 13 3 5 5 17 2 2 1 2 1 12 8 9 8 2 4 2 2 4 34 8 7 4 5 2 2 7 13 3 7 33 1 3 9 37 20 6 6 3 13 28 18 4 6 6 2 5 15 5 4 18 2 2 1 0 4 7 1 2 1 1 8 12 11 28 4 8 6 13 3 2 4 13 16 6 2 2 3 16 2 6 31 3 3 2 2 2 2 31 19 55 11 6 4 14 12 82 3 21 1 40 1 1 1 1 4 5 0 0 0 1 2 4 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 5 1 2 1 1 1 1 4 2 2 9 4 8 14 47 44 52 100 95 78 20 7 11 2 4 3 2 1 2 2 0 0 1 1 0 0 1 1 1 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 8 22 | 80 80 t 1H J 22 | 79 79 d 1H J 82 | 77 76 dt 1H J 11 22 | 76 76 dd 1H J 21 83 | 73 73 m 1H | 73 73 s 3H | 73 73 m 1H | 72 72 m 1H | 71 71 dd 1H J 17 38 | 63 62 d 1H J 10 | 40 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCN(c2ccc3nc4c(n3n2)CCCC4)CC1
ir: 9 6 4 6 4 7 7 8 7 6 10 9 4 5 5 4 4 4 3 6 11 12 10 8 7 32 17 7 4 4 4 4 5 10 4 4 4 5 4 4 4 4 5 5 4 6 6 4 4 7 4 5 11 5 6 5 5 11 12 56 15 3 5 5 4 5 6 7 6 6 5 4 4 17 7 4 4 4 4 7 17 7 4 3 4 4 4 5 6 11 8 5 14 7 15 9 9 14 20 19 19 7 8 7 5 4 6 6 5 5 7 6 6 10 6 10 9 11 9 7 14 18 2 6 6 5 4 7 7 5 6 10 11 5 4 8 6 4 5 10 6 5 25 7 6 0 100 11 10 6 5 20 22 8 6 4 4 4 4 4 7 16 12 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 4 4 4 4 4 4 8 6 7 8 6 5 5 5 4 5 13 17 8 8 6 16 29 19 7 5 5 4 3 4 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 73 73 d 2H J 7 | 36 35 t 2H J 58 | 35 35 t 2H J 62 | 29 28 m 6H | 26 25 t 2H J 69 | 24 23 s 2H | 19 18 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)c1c(C)cc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1-c1ccc(Cl)cc1
ir: 4 6 6 1 25 18 5 18 16 27 67 16 9 3 2 3 6 9 3 3 6 5 8 8 7 5 11 4 2 3 2 2 2 7 11 9 7 4 7 8 4 1 1 2 2 1 2 3 11 33 12 4 5 7 11 3 27 45 9 4 2 2 3 2 5 3 4 14 60 4 62 69 21 33 8 4 4 2 2 2 4 8 4 5 28 51 89 7 1 3 4 7 23 15 5 4 5 22 23 19 2 3 5 10 5 3 3 2 6 10 2 5 2 3 3 3 3 11 7 4 2 8 7 20 2 3 3 2 4 3 2 5 2 4 3 3 0 2 6 12 27 7 4 8 10 11 9 3 12 6 3 13 2 4 4 2 2 4 3 1 1 3 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 1 1 1 1 2 2 2 2 4 3 5 17 6 18 100 33 2 5 8 2 1 3 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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; 1HNMR: 79 78 d 1H J 84 | 78 77 dd 1H J 10 18 | 76 75 m 2H | 75 75 t 1H J 22 | 75 74 m 3H | 44 43 q 2H J 71 | 26 25 s 3H | 14 14 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Br
ir: 1 1 0 1 1 1 0 1 1 1 0 2 1 1 1 1 3 1 1 1 1 1 1 2 3 3 1 1 1 3 3 3 3 5 21 11 3 1 6 19 100 23 24 5 2 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 2 1 1 7 10 10 7 3 1 2 1 1 0 0 1 1 1 2 3 6 2 1 1 1 0 1 2 1 0 1 0 1 1 2 5 8 11 2 1 0 1 3 9 1 1 2 2 5 3 2 2 4 11 4 2 3 4 4 1 2 3 3 4 2 4 9 2 1 1 2 2 12 2 1 1 2 22 26 2 4 9 81 9 4 24 5 2 1 0 1 2 2 0 0 1 1 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 0 1 4 4 3 11 24 20 8 1 0 1 1 1 0 0 1 0 0 0 0 0 0 2 1 1 1 1 2 7 16 10 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 16 | 83 83 d 1H J 16 | 83 82 q 1H J 15 | 81 81 ddd 1H J 22 33 58 | 77 77 m 2H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCOc1cccc(CNC(=O)c2cccnc2N)c1F
ir: 2 2 2 4 2 2 4 3 4 4 2 4 6 3 2 3 2 6 4 7 2 2 2 3 4 2 2 1 2 1 1 1 2 1 0 2 2 3 13 17 6 4 6 18 8 7 7 4 4 3 1 2 2 2 2 0 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 3 1 0 2 2 1 1 0 0 0 0 0 0 0 1 2 1 1 2 1 1 2 2 1 1 1 1 2 2 1 0 1 1 1 1 1 1 0 2 2 1 1 1 1 3 2 2 2 2 1 2 1 1 1 2 3 1 0 1 3 2 1 2 6 8 4 3 2 3 3 1 6 1 4 19 6 4 13 7 3 3 7 5 1 13 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 1 1 1 1 0 1 1 0 1 2 2 1 3 10 7 4 1 0 1 0 0 1 0 0 0 0 1 1 1 1 2 5 6 4 1 1 3 5 5 4 3 1 1 14 100 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 21 43 | 80 80 dd 1H J 21 80 | 78 77 t 1H J 68 | 72 71 m 2H | 71 70 t 1H J 92 | 69 69 s 2H | 68 68 ddd 1H J 12 37 91 | 46 46 ddd 2H J 9 37 68 | 41 40 t 2H J 57 | 19 18 tt 2H J 57 73 | 15 14 m 4H | 9 9 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccccn2c1Cc1ccc(C#N)cc1
ir: 0 2 4 2 1 3 5 4 0 3 3 1 1 3 4 2 1 2 3 2 1 3 4 6 4 4 5 3 3 3 3 1 5 5 7 6 8 5 4 2 3 2 5 14 100 24 6 1 3 5 9 1 5 5 5 10 54 13 5 0 3 6 4 0 3 4 3 2 14 14 5 2 5 3 1 1 2 3 1 1 4 4 1 1 4 5 3 13 6 3 1 1 3 3 1 4 10 5 1 2 4 3 1 1 3 3 2 3 4 2 0 2 4 2 0 2 4 3 0 3 5 7 9 7 7 10 4 2 3 3 2 2 3 2 1 3 4 3 15 24 3 2 2 5 7 5 43 17 10 7 3 3 3 2 2 4 3 1 2 6 5 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 0 3 4 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 1 3 2 3 2 3 2 2 2 2 4 6 7 7 21 47 44 40 44 14 18 6 2 1 3 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3; 1HNMR: 87 87 dd 1H J 15 84 | 77 77 ddd 1H J 13 68 80 | 77 76 dd 1H J 14 79 | 76 76 m 2H | 73 73 dp 2H J 9 77 | 71 70 ddd 1H J 15 68 83 | 41 41 d 2H J 9 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)N2
ir: 16 20 21 9 6 10 5 11 16 10 16 4 4 4 2 4 2 4 1 5 8 9 4 3 3 3 5 8 5 4 2 3 2 3 6 3 10 6 7 17 49 48 44 28 9 4 4 2 2 4 2 4 3 5 5 6 11 5 6 3 4 2 6 2 6 6 11 7 6 3 6 4 6 7 11 6 4 5 7 8 26 17 5 5 8 11 8 14 6 44 16 6 8 4 5 2 2 2 8 4 2 2 5 8 23 11 2 10 5 3 3 3 7 7 1 10 14 10 34 26 21 12 40 46 17 26 28 22 54 45 28 14 19 13 10 19 14 15 16 11 6 14 6 7 5 18 12 23 26 23 4 3 2 3 13 36 7 1 6 1 1 0 1 1 7 4 1 0 0 1 1 7 3 2 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 4 2 3 7 7 10 17 23 20 23 17 11 8 32 5 29 24 100 40 25 32 33 20 12 6 7 6 10 5 4 5 3 1 3 5 3 2 5 19 23 27 18 6 14 11 9 23 16 12 5 6 11 3 2 2 2 1 1 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 0 0 0 0 0 0 0 0; 1HNMR: 80 80 t 1H J 59 | 75 74 s 1H | 72 72 m 4H | 63 62 s 1H | 42 42 d 2H J 59 | 38 37 s 3H | 32 31 m 5H | 29 29 dd 2H J 6 147 | 25 25 s 3H | 22 22 s 3H | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2c(C)ccc2C)nc1
ir: 4 3 4 16 34 6 1 4 5 2 1 3 5 3 2 4 4 2 2 4 5 3 1 3 5 6 4 7 13 3 1 5 4 1 2 5 4 1 19 28 5 3 3 5 6 4 2 4 2 1 3 8 14 60 41 54 45 39 6 8 8 17 23 25 20 4 11 8 9 10 38 12 5 3 5 5 2 2 4 3 2 1 3 4 4 1 4 5 3 7 4 4 2 5 30 16 6 2 4 3 1 2 3 3 1 2 6 25 23 13 6 3 7 4 4 3 2 8 4 3 3 4 5 26 12 8 8 7 3 11 45 20 5 4 3 3 2 4 3 2 3 5 43 37 2 4 3 3 7 39 22 55 39 8 4 22 6 4 3 2 8 45 9 1 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 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 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 2 3 5 3 1 2 4 3 1 3 7 4 2 7 21 13 9 19 70 100 31 69 8 6 2 5 4 2 2 3 3 2 2 2 3 2 1 2 3 2 1 2 3 1 1 2 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 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 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; 1HNMR: 80 80 d 1H J 18 | 76 75 d 1H J 79 | 72 72 dd 1H J 19 80 | 57 57 s 2H | 39 39 s 3H | 22 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H]1CCN(C2CCCC2)C1
ir: 6 13 16 17 5 9 24 11 6 7 4 10 7 10 10 5 5 5 9 7 6 4 6 8 14 2 5 4 2 1 2 2 3 2 2 2 3 3 2 2 2 3 3 4 4 6 5 4 4 4 2 4 5 6 3 7 5 23 14 10 3 10 5 6 15 23 22 60 28 6 9 14 14 6 8 11 10 8 9 20 15 94 87 71 95 88 100 45 65 44 39 15 32 70 86 23 23 13 11 4 7 6 13 17 28 14 5 16 19 18 6 9 5 20 16 6 6 6 7 3 10 12 9 17 23 16 11 8 8 8 1 3 7 33 24 4 2 1 1 1 1 1 1 0 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 0 1 0 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 0 1 0 1 1 1 1 1 1 1 2 1 2 2 4 3 6 5 14 16 19 6 5 4 6 4 38 63 15 4 4 2 2 3 5 2 3 27 40 13 5 2 2 2 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 43 42 dddd 1H J 20 31 50 70 | 31 30 m 2H | 30 30 dd 1H J 20 113 | 29 28 d 1H J 51 | 28 27 dddd 1H J 16 56 75 117 | 26 26 m 1H | 21 19 m 3H | 18 16 m 3H | 16 15 m 2H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)CC(=O)OC
ir: 9 13 5 6 8 4 2 7 3 2 1 1 3 2 2 2 9 5 1 1 2 1 0 2 2 1 6 11 5 1 1 1 1 1 1 2 2 1 1 1 1 1 1 4 7 3 4 4 2 1 2 4 1 0 1 2 1 0 1 6 8 3 4 3 6 42 13 2 2 2 2 3 4 1 1 2 5 1 1 1 1 1 1 1 1 1 1 2 4 2 1 3 3 2 2 3 2 2 4 11 4 13 9 22 12 9 8 2 3 2 2 2 2 3 3 2 3 4 21 24 12 21 8 4 6 7 7 5 7 6 11 26 35 17 10 17 10 8 5 4 3 5 5 15 100 43 11 4 3 5 3 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 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 0 1 1 0 1 1 1 1 1 1 2 1 1 2 1 1 7 7 4 4 7 20 11 4 2 3 9 17 19 33 51 38 12 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 37 36 s 3H | 23 23 s 2H | 14 13 q 2H J 81 | 10 10 s 6H | 9 8 t 4H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CN1C(=O)OC(C)C1=O
ir: 5 5 1 2 3 5 0 3 6 11 4 2 1 1 2 1 1 0 1 6 6 8 4 1 1 1 3 6 6 2 1 0 0 0 1 3 3 2 1 0 1 0 9 5 2 2 1 0 1 1 0 0 0 0 0 0 0 1 2 0 0 1 1 3 3 1 0 0 2 2 3 4 18 13 22 6 4 2 3 1 0 0 0 0 1 1 1 0 0 0 0 0 1 2 1 0 0 0 0 0 1 1 1 0 1 0 0 1 1 2 3 3 2 0 0 0 2 4 8 2 1 0 2 3 10 57 100 9 3 10 15 1 0 1 1 0 0 1 1 0 0 1 3 8 7 10 8 9 0 2 1 0 13 48 82 6 2 0 1 1 0 0 2 4 3 3 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 1 1 1 1 0 0 0 1 1 0 2 3 4 10 5 5 10 3 27 28 10 3 3 4 3 3 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 114 168 | 54 53 m 2H | 52 51 dd 1H J 19 168 | 14 14 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)NC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
ir: 3 3 5 3 2 3 2 5 5 3 6 3 2 2 2 2 2 3 5 8 23 27 19 23 15 13 6 10 6 7 7 10 4 6 8 5 5 3 5 8 24 4 25 7 6 6 3 3 10 33 15 9 8 27 19 22 20 9 19 5 7 5 3 15 8 5 7 25 36 33 6 12 7 6 3 7 7 2 2 2 2 2 6 14 7 5 3 4 4 4 3 2 2 2 3 2 3 3 7 15 3 3 7 8 25 9 11 3 3 7 4 2 3 3 4 3 5 5 5 4 13 3 5 5 5 6 6 6 3 12 4 2 3 1 1 2 2 2 2 4 5 6 7 47 44 4 7 19 14 4 48 89 47 100 26 1 81 39 4 2 2 4 3 3 4 5 7 14 3 3 2 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 2 1 2 2 2 1 2 3 3 2 6 8 18 11 16 99 85 18 4 5 2 1 2 3 2 2 2 3 2 1 2 3 2 2 4 11 7 9 45 95 88 16 10 3 5 3 2 1 2 2 2 2 2 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 s 1H | 76 75 m 4H | 73 72 m 3H | 62 62 d 1H J 86 | 39 39 m 1H | 39 39 s 3H | 39 38 s 2H | 17 16 dqd 1H J 46 74 130 | 15 14 dqd 1H J 48 74 129 | 12 11 d 3H J 64 | 10 10 td 3H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(Cc2ncc(C=O)c3cc(OCCCOC(C)=O)c(OC)cc23)c1
ir: 4 2 3 4 3 1 6 1 1 2 2 7 7 4 3 2 1 8 11 15 18 22 9 14 10 10 25 10 5 2 4 2 5 5 5 3 2 3 4 1 14 8 6 4 6 8 13 26 4 11 16 4 3 5 7 2 2 4 2 5 4 2 9 7 8 9 17 39 38 29 26 26 23 12 7 2 2 1 5 7 4 4 2 0 1 1 1 2 5 18 12 3 3 4 8 6 5 2 2 5 4 9 8 6 9 13 33 3 3 4 4 3 3 5 8 10 8 5 3 7 3 8 22 13 11 9 13 11 7 6 7 9 3 6 5 6 3 2 2 2 12 24 15 26 62 12 3 6 5 2 4 4 23 1 5 22 6 2 14 26 13 13 16 3 1 1 3 2 10 21 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 4 8 3 3 4 3 5 6 7 2 5 2 3 6 30 35 17 40 100 46 22 11 6 7 4 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 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 0 1; 1HNMR: 87 87 s 1H | 75 74 s 1H | 74 73 s 1H | 73 72 td 1H J 8 73 | 70 70 m 1H | 69 68 m 2H | 45 44 t 2H J 8 | 42 41 dt 5H J 66 159 | 39 38 s 3H | 38 38 s 3H | 22 22 p 2H J 66 | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1ccc(CNC(=O)c2ccc(-c3nc(CCl)cs3)cc2)cc1
ir: 5 5 5 2 5 3 9 7 3 3 4 3 4 5 10 9 7 10 21 4 2 2 2 2 2 2 4 3 4 2 4 2 5 3 3 2 5 3 5 4 7 8 3 2 3 7 9 4 5 3 2 2 5 11 11 14 16 27 8 5 3 4 8 14 4 2 2 1 2 9 5 3 7 5 2 5 13 10 3 1 4 1 1 1 2 2 1 2 2 2 2 3 4 4 33 15 5 5 10 11 5 6 50 19 12 10 17 14 8 3 5 5 7 5 8 6 8 6 16 18 29 14 12 8 14 15 7 5 9 3 5 3 3 4 11 58 14 3 1 3 4 5 13 6 8 7 7 9 16 8 5 15 21 8 3 3 2 3 2 1 1 1 1 1 1 1 1 3 3 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 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 2 1 2 3 3 2 5 7 7 6 7 3 3 7 5 10 9 17 29 26 78 100 18 19 8 9 5 4 3 4 3 2 2 1 3 2 2 1 2 2 2 2 3 10 10 8 29 8 3 4 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 0 1 1; 1HNMR: 79 79 s 4H | 73 72 t 1H J 57 | 72 72 m 3H | 72 71 dt 2H J 9 84 | 46 45 m 4H | 27 26 tt 2H J 9 75 | 15 14 m 2H | 14 13 m 4H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN(C[C@H]2Cc3ccccc3CN2)C(=O)C(C)Cl)c(OC)c1
ir: 2 2 2 3 5 1 1 1 1 3 2 3 2 1 1 1 1 1 1 1 1 1 3 2 1 1 3 1 3 3 3 1 1 3 2 1 1 1 1 4 3 12 6 3 1 1 5 4 6 9 4 4 8 3 12 7 16 14 22 3 3 3 4 19 3 6 23 11 7 7 10 2 4 4 2 1 2 8 2 1 1 1 1 1 1 2 2 3 9 3 3 2 1 1 3 2 1 4 3 8 4 3 3 3 12 17 23 18 17 7 12 3 6 1 5 3 10 5 4 3 2 10 5 11 8 2 4 4 5 4 14 12 6 4 3 1 5 6 4 4 2 5 1 2 8 5 5 12 2 12 9 3 2 4 9 3 2 1 1 2 1 1 11 5 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 1 1 1 3 2 1 2 2 1 2 4 2 4 7 1 9 39 22 3 3 2 1 1 1 0 1 1 1 1 1 1 1 1 3 5 28 100 12 4 1 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; 1HNMR: 72 70 m 5H | 66 65 dd 1H J 24 96 | 65 65 s 1H | 46 45 q 1H J 67 | 45 44 m 2H | 41 40 ddd 1H J 9 44 150 | 40 39 ddd 1H J 8 44 152 | 38 38 d 6H J 33 | 38 37 dd 1H J 53 119 | 34 33 m 1H | 33 32 dd 1H J 53 119 | 30 29 ddd 1H J 9 42 148 | 28 27 dt 1H J 44 73 | 27 26 ddd 1H J 8 71 150 | 17 16 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncc2cc(C(=O)O)c(=O)[nH]c2n1
ir: 4 3 3 3 5 4 4 4 4 5 5 11 12 6 5 7 6 3 2 12 24 100 15 3 4 5 7 7 14 6 8 4 3 5 5 3 3 3 3 3 4 4 5 8 26 19 6 3 4 5 5 6 14 12 33 26 12 4 5 6 4 5 4 4 3 5 4 4 4 4 4 4 4 19 5 6 9 18 30 4 4 4 4 4 5 4 6 5 4 3 3 3 3 4 3 3 4 5 4 3 4 6 8 7 7 4 3 3 3 3 3 3 4 5 4 3 3 4 3 4 4 4 4 6 51 7 4 7 4 7 3 3 3 4 3 6 4 3 3 3 3 3 4 24 6 10 11 4 4 3 6 56 16 5 4 5 30 6 4 2 3 5 4 0 18 11 4 5 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 5 4 3 3 5 8 4 3 4 4 3 3 12 19 5 3 3 3 3 3 3 3 3 3 6 6 5 6 14 5 8 6 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 88 88 s 1H | 88 87 s 1H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.