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COC(=O)c1cc(Cl)c(Oc2ccc(OC)c(C(C)C)c2)c(Cl)c1
ir: 6 10 12 9 8 4 2 3 3 3 3 3 2 2 2 2 2 2 3 4 7 11 9 4 4 2 2 1 1 2 4 2 3 2 1 2 2 2 3 3 4 2 3 3 1 1 1 1 1 1 2 9 17 13 15 11 4 2 2 2 8 8 8 6 7 11 27 70 30 3 2 2 2 3 3 2 1 0 2 1 1 1 2 1 1 1 1 1 1 2 7 4 3 1 2 2 3 16 8 4 1 1 1 1 1 4 3 3 1 4 2 1 0 2 3 4 11 30 2 5 5 3 2 4 4 30 1 9 6 2 2 3 4 1 1 5 4 2 1 2 4 1 2 17 8 75 49 3 4 1 13 52 5 8 9 6 4 2 1 1 1 2 4 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 2 2 2 1 0 1 2 1 0 1 2 3 1 6 8 15 11 25 100 38 13 9 0 1 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0; 1HNMR: 79 79 s 2H | 68 68 s 0H | 68 68 s 2H | 68 68 dt 1H J 9 17 | 39 39 s 3H | 38 38 s 3H | 32 32 pd 1H J 9 68 | 12 12 d 7H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC(N)C(=O)Nc1ccc(-c2cn[nH]c2)c(OC(F)F)c1
ir: 4 3 1 1 4 5 12 8 8 5 7 2 3 3 2 4 2 3 1 3 2 1 3 2 2 1 6 2 2 2 1 2 1 1 2 1 2 2 3 4 2 4 8 3 6 1 3 6 5 7 17 5 4 2 3 16 13 4 10 8 10 18 4 6 3 2 4 2 7 5 9 7 4 15 8 12 16 28 14 5 2 3 3 4 4 10 5 3 7 2 3 4 2 2 8 4 8 17 3 2 0 1 3 3 4 30 13 10 2 4 2 4 5 2 2 2 2 3 7 3 7 5 3 5 4 8 2 5 10 6 11 11 7 5 7 11 1 2 2 2 5 20 5 1 1 3 3 4 1 5 13 26 18 20 17 1 2 2 1 0 1 3 14 9 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 2 4 2 2 3 4 3 2 4 7 11 3 7 15 14 6 9 100 22 15 23 3 4 4 9 6 10 6 9 3 6 5 7 6 3 2 2 3 2 13 17 27 10 2 1 2 2 2 1 1 1 1 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 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: 94 93 s 1H | 82 82 d 1H J 16 | 78 77 dd 1H J 16 33 | 75 75 d 1H J 85 | 74 74 dd 1H J 22 84 | 73 73 d 1H J 21 | 67 67 s 0H | 47 46 d 2H J 55 | 34 34 m 1H | 18 17 m 1H | 16 15 ddd 1H J 60 77 150 | 14 13 ddd 1H J 60 75 150 | 10 9 dd 7H J 71 207
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1(c2ccc(Cl)cc2)CCNCC1
ir: 4 3 5 2 5 2 2 3 5 3 2 2 3 1 2 2 3 3 6 2 2 2 2 2 3 2 2 2 2 1 1 2 2 2 3 2 2 1 1 2 2 2 2 1 2 3 3 1 2 2 4 30 24 21 20 16 8 11 5 6 3 3 3 2 2 4 10 7 2 3 2 2 1 4 6 2 1 1 2 1 1 2 3 7 1 7 10 22 18 18 5 4 2 5 4 9 2 2 2 1 1 1 2 2 1 1 2 2 2 8 15 23 4 3 5 6 7 8 11 7 5 3 3 2 3 3 3 4 6 9 6 4 2 3 3 2 2 2 2 1 1 1 1 1 1 2 3 5 18 8 4 3 2 6 4 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 1 1 1 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 2 2 2 2 2 2 2 3 3 3 2 1 2 3 2 2 10 10 14 27 11 9 7 7 4 8 11 74 10 11 4 4 4 2 3 3 4 10 88 100 12 0 3 3 0 1 2 2 1 1 2 3 2 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 2H | 72 72 m 2H | 37 37 m 3H | 30 30 dddd 2H J 26 35 51 135 | 29 28 dddd 2H J 26 36 53 137 | 27 27 t 1H J 59 | 22 22 ddd 2H J 26 52 141 | 20 19 ddd 2H J 26 52 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC1CC1)c1cc(OCC2CC2)c(N)c(-c2ccc(C(F)(F)F)cc2)c1
ir: 4 6 8 6 8 19 5 12 13 8 7 10 7 6 8 6 5 7 1 2 4 1 2 3 2 2 2 2 3 1 1 1 3 0 2 5 4 2 2 4 12 6 8 4 3 2 2 3 2 2 4 1 4 4 15 39 44 13 3 3 1 1 1 2 2 3 7 13 5 4 4 3 3 1 3 2 7 4 2 1 1 1 1 2 2 7 9 4 2 2 7 7 3 3 2 5 6 11 20 31 14 3 1 1 2 1 1 1 3 3 2 4 55 4 3 5 2 2 3 2 4 5 6 4 2 22 19 5 1 3 2 2 2 1 1 1 1 3 1 2 1 1 2 8 25 5 12 8 3 6 7 4 5 4 34 100 32 16 5 1 2 2 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 3 1 2 2 1 1 3 2 11 4 15 6 5 22 28 17 17 9 8 3 2 1 1 1 1 1 1 1 1 1 2 2 11 60 2 1 1 0 0 1 1 0 1 2 6 96 16 3 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dq 2H J 14 110 | 74 73 m 2H | 72 72 dd 1H J 7 22 | 68 68 d 1H J 23 | 57 57 s 2H | 42 41 p 2H J 64 | 41 41 d 2H J 44 | 36 36 m 1H | 21 20 ddd 1H J 69 78 137 | 19 18 ddd 1H J 69 77 136 | 15 13 m 2H | 12 11 t 3H J 63 | 7 6 m 2H | 6 5 m 2H | 5 4 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCC1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1
ir: 8 21 12 19 49 22 13 8 8 8 6 6 7 6 17 4 2 3 4 4 3 4 5 5 2 4 4 3 3 4 7 10 7 4 12 13 19 13 9 6 5 6 7 2 4 6 5 5 9 17 8 8 18 16 18 34 55 20 18 0 9 7 5 4 5 7 9 13 25 29 10 5 35 81 16 17 12 6 4 4 6 5 2 2 8 10 12 48 100 50 8 12 5 8 10 4 5 4 3 21 37 25 22 15 8 13 6 9 19 10 31 10 11 20 9 7 6 6 21 14 41 6 12 9 5 5 9 11 6 9 9 6 6 5 5 5 6 9 18 5 5 3 5 6 5 3 19 36 20 21 7 4 4 10 5 4 3 3 3 3 3 5 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 4 4 3 3 4 3 4 5 8 6 4 4 7 6 13 7 7 5 3 6 8 17 72 60 40 65 48 29 10 4 3 4 6 3 2 3 4 2 2 3 3 3 2 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 73 73 s 3H | 41 40 dd 1H J 62 119 | 38 37 m 2H | 35 33 m 3H | 30 30 s 2H | 23 22 m 2H | 22 21 m 1H | 21 19 m 4H | 19 17 m 4H | 17 16 m 1H | 15 14 ddt 1H J 65 90 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc([C@H](c2ccc(F)c(F)c2)[C@H](N=[N+]=[N-])C(=O)O)cc1
ir: 1 1 0 1 2 1 1 2 2 2 1 2 4 5 2 4 2 4 5 9 7 36 35 14 10 11 4 6 7 8 4 2 4 2 4 5 2 2 1 2 2 1 1 2 2 1 2 2 1 1 1 1 1 1 3 6 4 20 3 3 1 1 2 2 1 0 3 2 9 8 4 3 3 2 3 2 12 7 10 100 2 2 7 3 1 2 6 3 6 1 2 2 1 1 5 5 2 5 7 2 2 2 2 1 2 4 2 1 0 1 2 1 2 2 2 1 0 2 2 2 2 1 3 1 0 2 2 2 4 2 1 3 5 1 1 1 1 1 1 1 1 7 3 11 2 1 35 6 2 9 1 0 3 5 2 1 1 1 1 0 1 1 2 0 1 1 1 0 1 1 1 0 1 1 2 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 0 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 2 2 2 3 2 11 30 22 8 2 4 3 1 2 2 20 25 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 78 s 1H | 76 75 m 2H | 74 73 m 2H | 72 72 m 1H | 71 70 m 2H | 48 48 d 1H J 90 | 47 46 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=C(CN=[N+]=[N-])CS[C@@H]2C(NC(=O)CS(=O)c3ccccc3)C(=O)N12
ir: 2 9 23 10 7 11 31 30 43 26 8 6 8 5 6 11 10 10 7 6 5 5 6 6 6 8 7 18 11 16 29 8 11 17 19 20 14 29 29 48 86 11 11 14 9 10 6 17 49 26 15 9 20 24 8 8 7 28 10 8 5 6 6 9 8 5 20 17 15 5 7 6 5 6 8 10 18 10 6 7 6 4 5 16 6 7 12 6 8 7 14 5 6 5 11 9 6 26 16 10 6 6 4 5 6 6 7 7 11 58 18 15 11 14 6 4 4 8 9 13 10 5 8 8 17 9 18 11 10 10 7 31 18 87 35 13 10 9 5 6 7 12 19 14 12 10 34 29 24 18 25 28 100 12 12 19 6 5 4 4 4 4 4 3 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 4 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 6 12 0 25 7 4 5 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 3 3 4 4 4 4 4 4 4 3 4 3 3 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 5 4 4 4 4 9 9 6 5 6 17 17 6 18 21 19 18 39 43 16 7 6 4 5 5 7 4 3 4 4 4 4 5 4 4 5 8 16 6 11 17 21 35 11 5 5 6 4 4 4 4 4 4 4 4 4 3 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 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 4 4 3 3 4 4 4 3 3 4 4 3 4 4; 1HNMR: 77 76 m 2H | 75 74 m 2H | 74 73 m 1H | 71 70 d 1H J 70 | 52 51 d 1H J 51 | 49 48 dd 1H J 51 70 | 40 39 s 2H | 39 38 m 2H | 38 37 s 3H | 37 37 d 1H J 149 | 36 36 d 1H J 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCn1ccnc1Br
ir: 1 3 7 5 4 5 6 5 1 3 5 2 0 3 4 2 0 3 4 1 0 3 4 1 1 3 4 1 2 5 11 26 13 6 4 1 2 5 7 8 5 7 4 1 2 7 5 3 4 8 3 2 4 7 5 1 5 8 4 4 5 10 4 2 7 31 50 13 8 11 5 1 8 6 3 1 3 4 2 2 4 13 9 9 9 9 6 10 10 4 2 5 6 9 3 3 5 4 11 12 10 7 19 9 9 5 2 5 8 5 10 32 26 54 9 13 16 25 23 15 16 11 20 12 17 9 23 13 12 8 7 8 15 3 1 4 4 1 1 4 4 1 1 4 4 1 2 5 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 2 3 3 2 2 4 3 2 2 4 3 1 3 5 9 3 5 10 9 12 13 8 8 6 5 8 11 89 44 21 24 44 100 67 11 3 5 5 2 2 3 4 2 1 3 4 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 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4; 1HNMR: 72 71 d 1H J 38 | 71 71 dt 1H J 8 38 | 41 40 td 2H J 9 67 | 34 34 t 2H J 58 | 33 33 s 2H | 20 20 tt 2H J 58 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C1CC1c1c[nH]c2ccc(C#N)cc12)N(C)C
ir: 4 5 11 3 3 4 9 4 3 4 5 6 6 3 4 2 2 4 4 1 1 4 3 0 10 60 11 3 4 3 4 2 2 3 2 4 6 32 15 2 2 3 5 4 2 3 2 1 4 6 2 1 2 2 3 4 4 4 2 1 3 3 3 2 3 2 6 16 6 4 3 3 5 6 4 1 3 6 1 2 4 2 2 2 3 5 9 9 9 8 3 2 6 3 7 10 14 5 3 3 5 10 12 3 4 2 1 11 39 6 2 3 8 6 8 6 2 2 2 5 6 8 4 3 4 1 0 2 3 2 8 14 4 1 0 2 2 1 1 5 10 5 8 8 4 1 1 2 2 4 13 9 21 49 17 11 3 1 1 2 2 3 4 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 9 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 2 1 1 1 1 0 1 2 1 1 2 6 4 3 9 13 25 34 15 14 18 16 4 3 2 2 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 2 7 100 34 24 3 2 2 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 98 97 d 1H J 70 | 80 80 d 1H J 21 | 75 74 dd 1H J 20 59 | 74 74 d 1H J 58 | 73 72 m 1H | 31 30 m 1H | 26 25 ttq 1H J 15 46 75 | 23 22 d 6H J 15 | 22 21 m 1H | 14 13 dt 1H J 65 73 | 11 11 dd 3H J 15 61 | 8 8 dt 1H J 66 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCN(c2cccc3nc(CN(C)C4CCCc5cccnc54)cn23)CC1
ir: 13 24 16 6 2 16 14 15 16 6 5 5 5 2 2 2 1 2 3 2 4 21 13 26 16 10 3 16 4 14 3 5 4 2 21 16 6 18 13 30 100 13 3 7 8 9 2 11 11 6 23 11 62 69 18 6 3 4 18 13 12 16 7 16 12 79 43 14 17 15 4 3 4 4 6 41 5 7 10 20 25 82 28 23 27 8 8 17 54 19 41 19 11 11 26 7 15 23 30 43 27 29 17 13 3 4 3 4 4 4 2 6 10 8 12 13 7 6 8 8 17 12 18 30 9 7 11 7 6 19 17 27 12 17 83 9 6 7 10 28 3 3 17 11 4 2 4 11 3 1 2 3 3 0 96 3 55 8 3 27 17 4 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 0 1 1 0 1 1 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 1 0 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 12 12 5 2 5 1 5 3 3 9 42 19 14 39 58 98 49 18 9 18 8 5 4 2 1 2 3 3 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 84 dd 1H J 20 48 | 78 77 t 1H J 9 | 75 75 m 2H | 74 74 dd 1H J 13 81 | 72 72 dd 1H J 48 81 | 69 69 dd 1H J 14 61 | 41 40 dd 1H J 9 124 | 39 39 m 2H | 35 34 m 4H | 29 28 m 3H | 28 27 m 1H | 26 25 t 2H J 69 | 24 24 d 3H J 14 | 24 23 s 2H | 22 21 m 1H | 21 19 m 1H | 19 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N(CC(N)=O)CC(F)(F)F)cc1C(F)(F)F
ir: 7 5 7 6 9 6 8 8 5 11 18 5 11 6 8 10 5 13 43 54 23 18 11 33 27 22 35 26 10 4 9 21 28 20 23 14 15 6 10 3 4 2 4 3 4 2 4 4 3 3 4 6 8 4 6 16 9 3 2 2 2 1 2 2 2 7 15 26 19 7 9 5 2 1 18 13 13 11 6 5 4 4 5 15 17 19 10 18 12 8 18 6 3 3 6 5 5 4 34 51 3 21 9 7 9 14 19 29 3 2 2 2 1 2 2 2 2 2 9 8 3 9 9 4 4 7 8 6 3 3 2 1 1 2 2 1 1 2 3 2 4 21 17 5 9 19 14 3 3 7 6 5 7 5 16 23 16 100 45 12 8 10 8 12 4 3 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 3 3 2 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 5 3 4 4 2 2 3 10 4 10 21 18 20 10 4 3 2 1 1 2 1 1 1 2 2 2 3 3 7 32 11 6 3 2 3 2 1 1 3 4 5 28 94 17 9 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 78 78 d 1H J 73 | 72 71 dq 1H J 9 19 | 68 68 s 2H | 68 68 m 1H | 40 40 d 1H J 128 | 40 39 d 3H J 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2cccc(S)c2)CCOCC1
ir: 2 2 3 14 38 53 33 55 24 15 6 3 5 7 5 51 15 13 17 6 2 5 3 2 1 1 1 2 1 8 9 5 10 2 3 6 9 4 3 2 5 6 7 3 12 18 54 100 25 6 2 2 4 5 3 1 3 10 5 4 2 4 2 4 3 7 3 1 2 27 26 5 2 5 44 3 2 3 6 11 40 17 6 3 2 3 6 12 7 4 13 38 12 14 16 2 2 4 4 3 1 2 2 2 3 7 9 3 2 3 3 5 2 6 5 4 6 4 3 5 11 10 4 3 4 3 3 14 11 4 2 8 48 45 6 4 2 1 0 3 49 63 4 2 1 1 1 1 1 1 1 3 6 2 3 18 5 1 1 1 6 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 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 3 2 2 3 4 4 3 9 6 4 3 2 2 2 5 6 5 2 3 2 3 3 5 7 3 3 2 2 3 2 2 2 2 3 2 2 2 2 3 5 5 8 5 2 3 5 10 10 9 8 15 89 37 7 4 4 2 4 16 8 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 74 73 m 1H | 72 72 m 3H | 39 38 ddd 2H J 38 65 114 | 38 37 ddd 2H J 37 64 114 | 36 35 s 1H | 30 30 s 1H | 23 23 ddd 2H J 37 64 146 | 21 20 ddd 2H J 38 64 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nccn1-c1ncc(C(=O)O)cn1
ir: 18 28 2 2 3 3 5 2 3 2 3 6 9 4 1 2 2 5 2 3 7 3 2 1 1 1 5 6 4 2 1 1 1 1 1 1 2 1 13 9 14 4 2 2 2 1 2 2 2 1 2 3 9 6 100 45 3 5 3 5 3 3 2 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 4 20 11 5 9 20 21 14 32 5 22 6 4 8 5 2 2 6 3 2 1 2 3 10 7 9 5 3 8 5 7 12 5 2 2 2 2 1 2 4 5 4 6 15 6 3 3 3 1 10 5 21 23 5 3 2 2 15 40 6 2 3 3 0 30 31 1 2 2 1 1 1 1 1 3 66 8 1 1 2 6 5 2 2 1 1 1 1 1 1 1 2 3 6 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 1 1 2 2 1 2 2 2 2 3 10 15 4 24 42 48 36 13 1 2 2 3 21 27 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 2H | 76 76 d 1H J 57 | 76 75 d 1H J 57 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1
ir: 17 12 9 15 18 9 13 5 1 3 3 3 2 3 4 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 2 1 2 3 1 1 1 4 12 15 21 5 2 1 2 2 1 2 1 2 2 1 1 2 27 26 17 11 4 1 2 1 1 1 2 3 6 4 2 7 1 1 1 1 1 1 2 3 5 3 1 1 1 1 1 1 2 6 7 4 5 3 1 1 1 1 1 2 3 1 1 1 1 1 1 2 3 1 1 1 1 4 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 7 2 1 1 1 1 1 6 4 3 2 3 5 40 3 1 6 6 8 8 35 43 38 3 1 1 3 8 25 4 3 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 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 3 4 6 8 9 44 24 9 3 2 1 1 1 1 1 1 1 1 0 0 1 1 2 21 12 2 0 0 1 1 1 1 5 9 40 73 100 9 6 4 1 0 2 1 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 4H | 73 73 m 1H | 70 68 m 6H | 68 67 m 2H | 51 50 d 2H J 9 | 42 42 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(C(=O)N1CCC2C1C(C(=O)O)CN2S(C)(=O)=O)C1CCCCC1
ir: 11 22 11 17 7 8 5 5 10 17 13 45 20 12 26 13 24 20 61 73 84 46 12 4 3 8 11 9 7 22 68 78 63 13 25 14 11 28 17 9 3 6 3 4 4 4 7 5 5 3 4 8 6 13 8 3 5 10 22 11 5 16 10 7 4 10 8 13 40 7 4 7 5 8 3 21 32 29 38 68 14 9 28 30 19 25 22 7 61 37 44 6 15 6 4 4 7 14 9 12 41 54 26 43 20 9 11 14 38 51 21 9 8 12 11 9 14 18 23 17 34 24 22 7 17 13 13 9 38 28 12 55 42 11 5 6 15 4 3 9 5 2 4 8 28 38 76 100 10 93 12 3 1 4 2 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 2 2 2 5 9 4 4 5 6 4 7 8 8 6 7 11 11 22 51 75 22 16 5 9 3 3 1 2 2 1 1 11 8 4 3 2 1 1 2 2 2 2 2 3 3 6 28 35 21 3 2 1 1 1 1 1 1 2 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; 1HNMR: 56 56 d 1H J 81 | 45 44 t 1H J 81 | 40 39 dd 1H J 43 65 | 38 37 q 1H J 42 | 37 37 ddd 1H J 50 70 120 | 36 35 ddd 2H J 50 69 119 | 34 33 dd 1H J 51 119 | 32 31 dt 1H J 53 66 | 28 28 s 2H | 23 21 m 2H | 19 18 dddd 1H J 40 50 68 109 | 17 16 m 2H | 16 15 m 2H | 15 13 m 6H | 14 14 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC(C)(C)O)nc21
ir: 2 4 5 4 2 3 2 3 1 4 2 4 3 2 5 2 3 4 2 3 3 5 3 27 5 7 2 3 3 5 3 4 1 2 2 1 2 3 1 4 5 19 30 2 3 8 26 18 2 13 3 1 1 4 2 1 2 7 2 1 2 2 2 1 2 4 3 0 2 9 2 2 3 3 6 2 3 7 3 9 7 10 2 1 2 2 1 3 1 1 0 1 1 1 1 1 2 2 0 1 2 7 15 2 3 2 1 1 3 3 1 1 1 1 2 1 2 2 4 2 2 4 1 22 6 10 2 24 8 3 4 15 5 1 2 15 8 2 2 4 5 11 3 3 34 3 3 5 7 3 1 1 1 4 63 10 12 2 1 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 2 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 11 3 6 17 8 4 2 1 1 1 1 4 1 1 0 0 1 1 0 1 1 10 8 1 1 1 1 1 1 1 1 1 1 2 100 10 3 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 ddd 1H J 11 21 75 | 76 74 m 2H | 71 70 dddd 1H J 12 21 77 100 | 70 70 s 2H | 46 45 q 2H J 60 | 26 25 s 1H | 16 16 s 5H | 15 15 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1cnc(C)c(-c2csc3ccc(CBr)cc23)c1
ir: 2 0 2 3 1 2 3 4 5 6 7 2 2 2 6 2 2 6 1 1 2 1 2 1 1 2 3 9 4 1 1 1 1 1 2 6 8 6 1 2 5 4 6 9 5 2 9 24 15 3 3 1 1 1 1 0 2 2 3 1 1 1 1 1 5 2 2 4 8 8 5 3 5 5 6 7 9 16 4 4 3 3 10 15 13 3 8 7 2 8 46 19 5 47 16 11 3 12 6 1 9 12 4 4 6 3 2 12 30 7 7 19 8 10 21 9 6 6 3 5 8 6 23 5 6 6 7 16 11 5 6 3 4 5 4 2 3 6 5 5 4 4 1 1 1 3 17 6 4 1 1 0 1 1 3 2 3 14 2 2 1 1 1 1 1 0 0 2 7 1 1 0 2 9 1 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 1 1 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 4 3 5 5 6 7 18 10 3 3 3 6 7 16 88 65 100 93 13 15 17 3 3 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 16 | 79 78 dt 1H J 9 17 | 77 77 d 1H J 75 | 74 74 m 2H | 73 73 d 1H J 18 | 47 47 d 2H J 9 | 42 42 t 2H J 49 | 37 36 t 2H J 50 | 34 34 s 3H | 27 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCc1cccc(-c2ccc3nc(-c4ccc5ccccc5c4)cn3c2)c1
ir: 1 1 1 1 1 1 2 2 1 2 3 7 5 4 2 1 1 1 1 1 0 1 1 1 2 2 1 2 2 1 2 1 3 1 2 2 1 0 1 1 1 1 9 7 1 1 5 19 15 4 4 1 2 3 6 9 1 4 8 18 9 12 4 5 22 14 11 8 12 14 3 2 2 6 6 2 1 2 6 3 2 1 1 0 3 2 1 1 1 3 3 4 5 2 1 5 3 4 1 3 2 2 10 8 3 5 1 1 1 0 0 1 2 1 2 1 1 1 1 2 6 5 4 3 2 2 2 2 4 3 2 2 0 4 10 5 2 1 1 0 8 4 1 1 1 1 2 5 6 4 5 3 6 22 2 6 2 1 2 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 2 2 3 6 18 21 100 32 35 31 22 10 6 4 3 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 12 | 84 84 t 1H J 22 | 84 83 s 1H | 81 80 d 1H J 89 | 80 80 m 1H | 80 79 m 3H | 78 78 d 1H J 85 | 76 75 m 2H | 75 75 m 1H | 74 73 m 2H | 73 73 m 1H | 45 45 t 2H J 9 | 37 36 t 2H J 46 | 36 35 t 2H J 46 | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CS(=O)(=O)c1ccc(OCc2ccccc2)c2ncccc12
ir: 2 4 15 2 0 5 5 9 7 10 13 31 19 2 0 4 2 0 2 1 1 1 3 2 1 2 8 16 9 2 6 4 3 3 8 6 2 11 4 17 89 47 19 11 2 2 3 3 1 1 1 4 33 30 22 2 2 2 2 0 4 4 7 9 22 13 11 8 20 12 3 3 1 2 2 2 4 3 15 2 15 14 4 74 13 4 2 100 11 3 3 1 1 3 2 1 1 1 2 4 3 5 11 9 5 4 37 12 6 4 7 2 2 2 5 4 3 53 0 10 8 2 0 5 4 2 1 2 1 5 7 4 6 4 3 14 8 8 3 2 10 17 22 79 70 16 6 3 3 2 2 37 3 5 2 39 4 7 2 0 1 2 1 1 3 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 2 2 1 3 2 3 2 4 2 1 4 5 4 12 33 33 19 90 39 10 13 21 3 1 3 4 1 0 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 0 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; 1HNMR: 88 87 dd 1H J 22 77 | 87 87 dd 1H J 21 41 | 80 79 d 1H J 106 | 75 74 dd 1H J 40 77 | 74 73 m 5H | 73 73 m 1H | 52 51 t 2H J 8 | 30 30 d 2H J 91 | 23 21 dtt 1H J 79 91 159 | 10 10 d 6H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)Oc1ccc(Oc2cccc(C(F)(F)F)c2)cc1)c1ccccc1
ir: 18 19 22 8 13 5 6 3 5 3 3 5 8 8 17 6 12 4 3 3 3 2 2 2 2 2 3 3 4 8 7 32 15 30 3 2 3 3 3 7 8 44 9 8 9 7 5 8 22 5 4 3 3 3 6 13 23 9 4 2 2 4 2 4 5 3 4 17 13 18 3 3 5 5 5 6 10 4 9 9 4 4 3 3 3 3 3 5 4 3 4 7 3 4 15 3 3 2 15 25 17 4 1 3 5 6 8 4 6 11 10 15 7 2 5 46 10 4 2 4 5 4 4 4 20 13 11 10 13 4 5 7 6 3 8 21 3 2 2 4 10 9 9 14 5 3 3 9 36 8 28 24 23 12 8 9 4 2 2 3 13 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 3 4 4 1 5 11 7 13 53 65 100 38 11 0 8 7 3 0 3 4 2 1 2 3 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 75 75 dd 1H J 74 106 | 75 74 m 3H | 74 73 m 3H | 71 70 m 5H | 70 70 ddd 1H J 13 22 73 | 33 33 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(Cl)c(Cl)c1Oc1ccc(S(N)(=O)=O)cc1
ir: 2 4 12 2 1 3 1 3 2 5 5 4 5 3 1 1 1 2 1 5 2 1 2 1 1 1 1 1 0 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 1 4 6 5 4 2 1 1 1 3 9 10 1 1 1 2 2 2 3 1 1 2 3 4 4 3 5 5 3 14 7 9 17 33 15 19 16 17 2 6 3 1 3 3 3 5 4 3 3 4 1 3 3 1 1 1 0 1 1 1 1 1 2 5 9 17 15 29 16 5 3 3 3 9 2 1 3 3 0 2 2 1 1 1 0 0 0 1 1 2 2 2 1 2 4 4 2 3 2 1 3 1 0 1 1 1 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 5 7 19 8 1 2 1 1 0 1 1 1 0 0 1 0 0 1 2 0 26 36 16 7 9 10 100 46 7 13 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 2H | 72 72 s 2H | 72 71 m 2H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCNc1ccc(N)cn1
ir: 7 6 2 5 5 1 2 1 1 1 0 1 1 2 5 12 2 4 2 1 1 1 1 1 0 0 1 1 1 2 2 2 1 2 4 6 5 2 2 1 1 0 0 1 1 0 1 1 1 0 1 2 5 15 17 7 7 1 1 1 1 0 0 0 1 2 5 3 6 2 2 3 3 2 2 0 0 1 1 3 6 5 2 1 0 1 0 0 2 5 1 1 1 2 2 1 1 1 1 1 0 0 0 1 0 1 2 6 3 1 1 0 0 1 2 2 1 2 1 1 0 1 1 1 1 1 5 2 1 1 2 3 2 1 1 1 1 1 14 19 15 24 7 1 0 1 1 0 0 1 2 9 14 4 4 3 22 40 11 3 3 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 2 6 5 4 2 2 4 1 1 1 2 1 0 0 0 0 0 1 0 1 1 1 1 12 76 8 6 11 17 45 27 8 3 2 5 100 88 4 1 3 2 1 2 1 2 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 2 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; 1HNMR: 81 80 d 1H J 18 | 71 70 dd 1H J 19 78 | 67 66 d 1H J 79 | 53 53 t 1H J 47 | 40 39 s 2H | 35 33 m 4H | 33 33 s 3H | 19 18 tt 2H J 58 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(O)cccc1Nc1ncc(F)c(Nc2cccc(O)c2C)n1
ir: 1 1 1 2 2 2 6 6 3 4 2 5 6 9 6 6 7 7 4 3 4 4 4 13 19 22 7 3 3 5 6 3 3 4 3 4 3 3 2 1 5 3 3 2 4 4 3 9 13 15 5 4 8 65 19 7 4 8 3 4 4 3 1 1 2 6 2 2 3 2 2 1 2 2 4 14 9 5 4 2 1 5 5 2 3 7 15 10 9 5 3 4 13 5 5 4 3 2 1 2 2 2 1 3 2 2 2 3 46 9 2 3 3 21 13 19 8 4 1 1 2 2 1 2 3 2 6 4 3 2 1 2 2 2 1 5 29 8 4 8 8 3 3 8 3 2 3 12 9 2 4 27 14 19 24 7 3 29 33 4 43 39 6 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 2 2 2 2 2 2 2 1 2 2 2 2 1 3 2 2 2 2 2 2 3 3 8 24 16 3 4 5 1 0 4 100 73 14 2 1 2 2 1 2 2 2 3 4 7 6 20 32 19 84 31 24 8 6 4 2 3 2 2 2 2 2 1 1 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 83 83 d 1H J 37 | 80 80 d 1H J 139 | 72 71 dd 1H J 12 78 | 71 70 td 2H J 9 79 | 70 69 dd 1H J 13 77 | 66 66 d 2H J 9 | 64 63 dd 2H J 12 83 | 21 21 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O
ir: 3 1 0 1 2 1 0 1 2 1 0 2 2 2 2 2 2 2 4 3 2 1 1 2 3 2 1 1 3 1 1 1 1 0 1 3 2 0 1 1 1 0 1 2 1 1 3 4 2 2 1 4 4 2 100 25 17 9 11 6 7 19 4 2 3 4 3 4 8 12 25 9 14 6 3 4 2 3 1 2 3 2 2 2 4 6 6 17 11 4 11 9 1 3 3 2 1 1 2 1 1 3 5 3 3 1 5 4 2 2 2 1 1 1 2 2 2 3 6 5 3 2 4 2 3 7 5 8 2 6 2 2 2 7 8 8 6 6 5 2 0 1 1 1 1 1 2 1 1 2 1 4 13 14 14 15 6 1 2 2 1 1 1 4 51 42 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 3 4 3 2 2 3 13 7 5 5 4 4 64 15 20 2 3 2 3 4 19 7 9 4 6 3 5 40 30 17 8 4 3 2 3 2 2 2 1 2 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 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 98 97 s 1H | 79 78 dd 1H J 17 76 | 65 65 d 1H J 77 | 62 61 dddt 1H J 10 22 43 55 | 43 42 m 1H | 40 39 d 1H J 57 | 39 38 ddp 1H J 16 34 50 | 30 29 m 1H | 28 28 t 2H J 66 | 27 26 m 1H | 24 23 dddd 1H J 18 46 65 132 | 22 21 ddd 1H J 48 64 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClC1=CC(Cl)=NN(OCCc2ccccc2)N1
ir: 4 3 2 2 2 2 1 3 3 6 3 2 3 2 2 3 2 3 4 5 4 4 13 66 20 14 21 10 3 5 12 13 4 3 2 3 3 2 4 6 43 9 27 6 3 2 3 4 4 3 2 3 2 1 2 3 2 1 5 4 2 1 2 6 2 2 3 6 21 11 2 3 3 4 10 6 3 3 4 2 2 2 2 2 1 1 2 2 8 3 3 2 2 7 11 5 6 6 4 3 2 2 2 2 4 2 2 2 1 2 3 2 2 5 3 2 1 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 4 32 1 3 5 100 2 4 24 13 6 9 46 10 3 2 2 5 3 3 2 0 15 79 3 4 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 3 3 2 2 2 2 2 4 7 12 14 46 32 10 3 2 2 3 2 4 2 2 2 2 2 1 2 2 2 1 2 2 2 3 2 2 3 20 5 4 7 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1; 1HNMR: 78 78 s 1H | 73 72 m 3H | 72 71 dtdd 2H J 11 19 40 50 | 63 63 s 1H | 40 40 t 2H J 51 | 30 29 tt 2H J 9 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccc(Cl)cc3C2)c1OC1CCC1
ir: 1 2 1 1 1 0 0 1 1 0 2 2 2 9 3 3 3 5 7 14 6 14 6 2 2 2 2 2 2 1 1 1 1 0 1 2 1 2 2 1 1 4 10 29 1 2 1 1 2 1 1 1 4 1 1 1 1 1 1 1 1 1 1 2 2 0 1 2 1 0 1 1 0 0 4 4 1 3 13 4 6 2 1 1 2 1 2 4 6 1 1 1 4 1 3 5 3 1 1 1 4 2 2 1 1 1 0 0 0 1 0 0 1 0 0 1 1 2 1 1 7 1 1 0 1 1 1 2 1 1 1 1 2 3 4 2 0 1 2 3 14 2 1 7 13 12 27 2 3 4 1 3 6 1 0 0 1 2 2 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 1 2 1 0 0 1 2 4 4 3 8 13 6 1 1 1 0 1 2 12 100 11 0 1 1 0 0 1 1 2 1 0 2 2 2 12 8 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 s 1H | 77 76 dd 1H J 12 80 | 76 75 dt 1H J 9 25 | 73 73 m 1H | 72 71 dd 1H J 25 80 | 71 70 m 2H | 46 46 m 1H | 36 35 m 2H | 33 32 m 2H | 23 22 d 3H J 7 | 21 20 m 2H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(C(F)(F)F)cc1Oc1ccccc1
ir: 15 9 17 9 12 8 5 5 10 9 8 8 6 7 8 6 5 5 8 5 3 6 5 3 2 3 4 6 4 5 8 7 4 4 5 1 10 23 34 34 44 27 15 5 10 7 6 3 3 2 3 2 2 3 4 2 2 2 2 2 1 1 2 2 3 4 4 16 33 6 6 3 2 3 2 1 2 2 3 1 2 2 1 1 1 2 2 1 1 1 3 8 2 1 9 39 15 3 8 15 3 1 1 2 2 2 1 2 3 11 13 2 3 1 1 2 12 4 1 1 2 1 1 2 5 6 12 5 2 2 1 2 8 4 3 26 3 2 1 2 3 1 6 43 8 9 7 59 3 6 14 15 58 35 11 100 9 0 7 62 15 18 1 2 2 2 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 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 2 2 2 1 3 2 1 4 9 11 35 16 5 6 2 2 3 2 1 1 2 1 1 1 2 1 1 2 27 14 2 1 1 1 1 1 1 2 2 3 5 88 5 3 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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: 82 82 p 1H J 13 | 76 75 dq 1H J 9 18 | 73 72 m 2H | 70 69 m 3H | 58 58 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=S)Oc1nc2ccccc2[nH]1
ir: 0 1 1 2 1 1 1 0 0 1 1 2 3 1 1 2 2 1 1 1 1 2 3 14 3 3 21 100 7 0 1 2 1 0 0 1 2 0 1 1 1 0 3 11 1 1 1 1 1 0 1 1 1 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 3 3 1 1 0 0 1 1 1 1 3 4 1 3 6 1 1 1 1 1 6 7 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 13 23 1 1 2 3 1 1 0 1 8 3 2 1 0 1 4 6 2 3 3 1 0 1 1 1 2 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 3 3 12 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 13 13 6 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H | 76 75 m 2H | 74 73 m 2H | 33 33 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1
ir: 2 2 2 3 2 6 3 5 16 9 6 11 11 14 11 7 7 21 19 39 31 14 100 75 27 32 7 5 2 3 3 5 3 2 2 2 2 3 2 2 3 3 2 2 2 3 3 2 2 3 4 3 5 6 32 28 14 9 5 1 2 3 2 1 2 18 4 8 8 4 4 5 20 2 14 15 13 24 70 41 10 12 6 4 3 15 11 10 9 5 6 4 3 3 2 5 12 4 14 27 12 3 0 3 4 2 1 6 4 2 8 22 29 8 2 4 8 10 3 2 3 3 3 3 4 9 15 3 3 3 2 2 2 3 2 2 3 2 2 5 9 8 45 12 3 10 8 15 10 10 5 3 7 6 2 3 2 2 1 2 7 2 1 3 2 1 1 2 1 1 1 2 1 1 2 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 2 3 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 2 2 2 2 5 5 12 31 64 22 33 9 6 6 6 3 3 9 47 14 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 79 m 3H | 77 77 dq 2H J 13 110 | 76 76 d 1H J 25 | 74 73 dd 1H J 26 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ncn(C)c2C=O)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
ir: 10 4 4 2 0 2 4 2 3 2 4 3 2 2 3 8 9 2 2 2 3 2 4 4 1 1 1 2 1 2 2 4 3 2 3 2 5 4 7 2 1 1 1 2 8 13 2 3 1 1 1 2 1 3 11 5 31 5 7 100 10 9 23 4 4 12 8 3 6 11 30 2 1 1 1 1 1 2 3 3 1 0 1 1 6 2 1 2 5 8 3 1 2 2 5 6 20 34 6 4 2 1 0 1 6 3 1 1 4 5 1 1 2 4 2 3 8 3 3 3 5 6 3 3 2 4 7 6 2 2 2 7 39 2 13 4 2 1 1 1 1 1 2 9 1 2 6 6 51 3 19 4 9 12 3 2 38 4 1 1 1 3 30 2 1 2 4 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 3 3 2 4 1 2 2 4 2 3 3 17 18 17 37 99 61 22 9 8 2 1 1 2 0 0 1 1 0 1 0 1 1 0 2 2 3 1 9 40 10 4 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; 1HNMR: 100 100 s 1H | 95 95 s 1H | 86 86 dd 1H J 17 41 | 82 81 d 1H J 13 | 79 79 d 1H J 22 | 79 78 m 3H | 76 75 m 2H | 74 73 m 2H | 70 69 m 2H | 52 52 d 2H J 10 | 39 39 s 3H | 23 23 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2ccc(-c3ccccc3)cc2s1
ir: 1 2 2 3 1 1 2 1 2 2 7 5 7 12 9 8 2 2 2 4 12 25 100 64 9 3 3 4 3 4 2 2 2 4 6 3 2 1 2 2 6 10 7 1 1 2 2 1 1 2 1 1 1 1 11 10 7 2 1 1 1 1 1 2 8 9 5 5 2 5 18 14 8 3 1 1 4 32 65 31 4 0 2 5 2 1 1 2 3 3 4 2 1 1 1 1 1 1 1 7 4 1 1 1 1 1 1 1 1 2 5 12 2 3 1 1 1 2 1 2 3 36 8 2 0 5 6 1 0 2 2 1 0 2 3 6 8 1 2 4 33 9 9 9 9 4 2 2 9 9 6 4 3 1 3 4 2 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 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 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 1 1 0 1 1 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 3 2 14 40 32 22 7 4 2 1 1 2 5 19 3 0 1 1 1 1 1 1 0 0 0 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 22 | 81 81 d 1H J 21 | 81 81 dd 1H J 22 79 | 79 79 dd 1H J 22 77 | 77 76 m 2H | 75 74 m 2H | 74 73 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(CNC=O)CC(=O)c2ccccc2O1
ir: 5 5 7 3 1 4 6 4 9 7 4 2 0 3 5 2 1 4 8 10 26 31 19 34 27 31 11 11 9 21 12 3 3 9 7 4 2 9 14 21 10 27 100 24 6 3 2 6 6 5 4 4 12 31 6 3 2 3 2 1 6 6 4 2 11 9 6 10 11 15 15 39 15 15 15 14 6 5 1 1 4 10 18 22 6 4 4 4 4 3 2 3 4 3 1 2 5 3 4 4 7 6 5 11 15 18 10 12 4 3 1 3 4 2 1 4 8 5 8 10 17 11 44 55 11 14 43 37 29 12 6 7 7 3 4 9 20 35 36 6 12 41 38 31 23 7 63 51 9 1 1 65 66 6 32 27 10 3 6 14 12 2 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 2 2 3 3 1 1 3 3 1 2 3 3 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 2 2 5 8 9 6 5 4 2 3 5 15 32 39 9 42 41 59 33 11 2 3 3 2 1 3 4 2 1 2 4 2 2 4 6 7 11 34 33 34 27 29 28 11 6 5 4 2 2 3 3 1 2 3 2 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 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 2 3; 1HNMR: 84 83 dt 1H J 9 59 | 77 77 dd 1H J 15 79 | 74 74 td 1H J 15 73 | 72 71 m 1H | 71 70 dd 1H J 12 72 | 70 70 td 1H J 12 77 | 39 38 ddd 1H J 9 52 143 | 37 36 ddd 1H J 9 52 143 | 32 32 s 1H | 31 30 s 1H | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](O)CN(C(=O)c1c(Cl)ncnc1Cl)c1ccc(-c2c(F)cccc2F)cc1
ir: 2 3 2 4 2 1 3 3 2 1 1 2 3 2 2 4 3 2 11 2 2 4 2 2 3 18 1 2 2 2 1 2 1 3 10 13 10 10 36 69 11 4 20 10 3 4 8 10 4 2 3 3 4 3 5 25 39 7 3 4 7 2 1 1 1 3 2 2 2 8 4 4 2 1 1 4 13 7 3 5 2 3 3 4 3 6 4 9 54 68 63 9 9 7 8 4 2 1 2 1 0 2 2 2 6 14 7 2 4 1 3 8 5 4 6 1 0 2 2 2 2 3 5 6 4 1 3 2 1 1 2 1 0 8 6 3 2 4 13 13 8 9 33 12 10 4 4 4 14 3 13 29 11 4 4 10 61 2 2 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 3 2 3 5 3 3 3 3 4 7 3 3 17 9 33 79 36 14 14 1 7 16 12 100 26 9 6 7 3 1 2 2 2 1 1 3 1 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 87 87 s 1H | 76 75 m 4H | 74 74 tt 1H J 51 76 | 72 72 ddd 2H J 11 76 97 | 43 42 m 1H | 41 41 dd 1H J 48 123 | 39 38 dd 1H J 49 124 | 32 31 d 1H J 55 | 13 12 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2cc(COc3ccc(Cl)c(C(F)(F)F)c3)ccc2C1
ir: 0 4 11 6 5 11 6 8 1 11 35 31 6 3 6 5 3 4 1 2 1 2 1 1 1 1 1 0 1 2 4 2 1 1 1 1 3 1 2 1 3 7 2 1 1 1 1 1 7 11 1 3 4 11 36 19 11 7 2 0 2 3 3 1 3 4 3 8 15 11 5 1 4 3 1 1 1 1 1 0 1 1 0 1 9 1 4 17 6 2 2 7 12 4 6 2 2 8 20 54 3 5 15 5 4 2 1 2 8 3 1 1 5 14 13 6 6 6 21 29 18 16 7 5 1 9 8 4 5 10 5 11 4 2 5 6 8 4 2 2 9 9 2 4 1 1 2 2 34 23 19 19 8 12 3 2 1 0 1 1 1 2 2 2 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 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 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 2 4 2 2 2 2 2 2 5 19 31 11 18 100 21 9 4 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 75 74 d 1H J 80 | 73 72 dq 1H J 9 20 | 71 70 m 3H | 69 68 dd 1H J 22 81 | 51 51 t 2H J 8 | 45 45 d 2H J 7 | 37 37 m 2H | 29 29 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(O)ccc1-c1ccccc1
ir: 1 1 0 1 2 2 1 2 0 1 1 2 1 2 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 3 8 1 1 2 1 2 3 2 1 2 13 10 2 1 0 0 1 1 0 0 1 1 1 8 4 3 1 1 1 1 0 1 1 1 5 2 14 12 2 6 1 0 1 1 2 2 3 10 15 100 11 13 7 3 2 1 2 6 1 1 1 1 3 1 1 2 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 1 0 1 2 1 1 1 1 0 0 1 3 2 1 1 0 0 1 1 6 3 1 1 1 2 20 2 1 1 6 3 1 2 6 4 2 5 3 4 2 0 0 1 8 1 0 1 3 19 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 2 1 2 1 1 2 2 1 1 1 1 1 1 1 1 3 0 1 2 2 11 75 14 5 1 2 1 0 6 98 52 21 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 92 92 s 1H | 75 75 m 2H | 75 74 m 2H | 74 73 m 1H | 73 73 d 1H J 89 | 67 66 dd 1H J 21 89 | 65 64 d 1H J 22 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(C)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1C
ir: 4 10 10 10 20 8 7 5 13 16 56 30 18 8 13 3 6 2 7 4 4 3 2 2 3 6 6 3 2 2 9 4 2 2 1 1 1 3 2 5 1 2 6 1 1 3 2 4 2 2 1 1 3 11 37 9 4 5 7 3 5 10 8 4 3 4 7 5 5 6 5 3 4 3 3 1 5 4 2 3 6 5 8 26 28 10 4 2 7 5 3 3 12 7 3 3 4 3 5 5 9 9 2 3 3 3 2 1 3 2 2 4 6 5 2 5 6 4 9 8 22 20 23 23 10 4 2 8 6 26 19 8 11 13 10 9 9 9 7 4 1 3 2 16 5 2 3 2 5 4 9 100 7 9 1 2 1 0 1 2 13 1 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 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2 3 3 10 2 2 2 2 3 2 2 3 2 4 11 21 28 26 11 23 7 5 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 70 70 dd 1H J 7 82 | 67 67 d 1H J 82 | 38 38 s 3H | 36 35 qd 1H J 7 67 | 35 34 m 5H | 28 28 ddd 2H J 41 59 115 | 27 27 ddd 2H J 42 58 115 | 23 22 s 3H | 21 21 s 3H | 15 14 s 8H | 14 13 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc(C2CC2)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1F
ir: 1 1 1 1 3 1 1 1 1 2 1 2 1 2 2 4 2 3 3 4 3 1 1 1 3 2 1 1 0 1 1 1 1 1 2 2 2 6 2 4 3 4 14 20 5 1 6 6 5 3 3 1 6 8 5 13 9 3 7 7 6 13 16 6 1 1 7 5 3 3 2 2 5 3 3 2 3 1 4 2 1 2 5 7 3 8 3 5 3 8 3 1 3 1 2 12 15 4 2 2 1 3 6 5 4 9 7 1 3 1 2 4 9 9 3 5 6 6 9 14 4 11 12 6 3 4 9 7 21 22 17 6 5 1 3 10 13 8 17 4 4 2 2 3 11 1 2 5 5 3 2 0 3 1 1 0 1 0 1 1 0 4 1 0 2 1 1 0 1 1 0 0 2 2 2 1 1 1 1 0 0 0 0 0 1 0 1 1 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 3 6 5 4 2 2 2 3 1 2 3 8 6 3 23 47 30 32 100 53 9 5 2 4 3 3 1 1 0 1 2 10 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 15 78 | 77 76 m 2H | 75 74 ddd 1H J 18 69 77 | 74 73 m 2H | 71 71 dd 1H J 21 121 | 55 54 dd 2H J 9 42 | 43 42 q 2H J 63 | 23 23 p 1H J 49 | 16 15 s 8H | 14 14 t 3H J 63 | 11 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(cc1S(=O)(=O)c1cccs1)OC(C(=O)O)O2
ir: 2 1 2 2 5 3 1 3 7 11 3 4 24 18 17 6 12 38 15 30 53 17 11 9 17 2 9 3 4 1 1 2 2 1 6 3 5 0 2 10 23 3 2 3 2 1 2 3 2 6 1 2 1 0 1 2 1 1 1 2 1 1 6 9 4 3 3 7 14 6 6 18 5 12 5 12 14 8 10 11 7 41 9 11 20 75 4 3 2 1 3 2 5 12 3 4 4 1 1 2 2 1 2 1 0 1 1 2 1 2 5 17 1 7 6 2 1 5 3 1 2 2 2 3 1 1 2 1 1 3 3 100 3 2 2 1 1 1 3 2 6 8 3 25 4 3 17 2 2 2 1 2 2 14 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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 2 1 0 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 4 1 4 5 2 5 36 5 35 5 3 1 0 3 5 38 60 8 1 1 2 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dd 1H J 17 67 | 74 74 dd 1H J 17 50 | 73 73 s 1H | 72 71 dd 1H J 50 67 | 70 70 s 1H | 63 63 s 1H | 27 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@]1(CNC(=O)OC(C)(C)C)CCCCCC1=O
ir: 17 11 18 6 11 6 9 3 1 10 10 8 4 4 6 6 4 9 5 4 2 3 2 4 2 7 7 8 6 51 20 47 12 30 50 37 38 17 9 6 6 4 3 0 2 3 4 7 9 3 2 5 3 4 4 2 3 5 6 3 1 3 3 4 2 2 2 2 2 5 12 22 38 29 6 10 11 10 2 1 2 1 2 1 3 2 3 13 2 6 9 3 3 3 3 3 6 3 6 5 6 5 5 3 4 1 1 2 2 7 3 6 7 6 6 12 12 12 11 31 14 19 15 12 14 13 12 28 100 22 17 19 29 15 15 10 13 5 7 9 15 14 21 70 61 80 47 18 10 25 14 4 1 2 1 1 1 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 4 4 2 5 9 17 8 6 8 14 24 14 56 70 38 16 1 2 6 9 6 7 6 4 7 2 2 2 1 3 1 1 1 1 1 1 1 4 9 44 80 52 14 5 6 4 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 57 56 ddt 1H J 74 113 167 | 56 55 t 1H J 54 | 52 51 dq 1H J 13 167 | 51 50 dq 1H J 13 112 | 36 35 dd 1H J 55 139 | 34 33 dd 1H J 55 139 | 25 24 dt 1H J 84 152 | 24 23 m 2H | 22 21 ddt 1H J 15 73 157 | 19 15 m 8H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1csc2c(NCc3ccccc3)nc(NCCN3CCOCC3)nc12
ir: 3 2 5 17 9 3 9 4 3 3 2 3 2 3 2 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 2 2 2 1 0 4 8 97 23 7 3 2 1 0 1 1 1 1 2 4 1 1 1 1 2 1 1 1 1 1 1 1 3 1 1 1 0 1 2 1 6 1 1 0 0 0 1 0 1 1 18 2 2 1 1 4 3 6 1 1 0 1 1 0 1 3 4 2 1 4 2 0 1 1 1 1 1 2 3 4 3 3 2 3 8 2 1 1 2 2 2 2 1 1 1 3 2 2 1 1 4 5 2 6 2 4 1 3 4 2 7 16 5 2 2 17 5 2 2 19 20 27 100 7 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 0 1 0 1 3 5 3 1 5 4 4 7 3 1 1 1 0 1 1 1 1 0 0 0 1 1 1 1 1 3 3 3 29 60 25 10 12 3 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 t 1H J 48 | 74 72 m 5H | 72 72 d 1H J 9 | 62 61 t 1H J 42 | 47 47 dt 2H J 9 48 | 37 37 s 1H | 37 36 m 4H | 37 36 m 1H | 30 29 qd 2H J 8 71 | 28 28 t 2H J 70 | 26 25 m 4H | 13 13 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCC(N2CCCC2)CC1
ir: 6 8 2 3 1 1 1 0 1 2 3 1 2 0 0 1 0 1 2 2 4 2 0 0 1 0 1 1 1 2 14 6 1 0 0 1 1 0 0 1 1 1 3 4 8 1 1 4 2 2 1 2 3 5 10 35 37 2 15 43 45 28 32 17 14 47 26 50 54 3 2 4 15 29 13 74 26 3 5 6 6 69 48 37 5 4 4 2 7 9 5 3 11 24 4 3 2 7 0 2 1 2 2 2 7 6 4 6 5 2 5 14 11 7 4 5 7 7 9 6 8 3 20 15 12 19 21 18 8 9 12 16 30 85 100 33 17 7 5 1 1 2 2 2 2 1 0 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 4 4 3 3 5 4 3 2 2 4 29 23 9 2 1 1 2 2 0 1 1 1 1 1 2 3 8 28 98 60 50 41 21 3 4 4 34 36 11 3 2 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 31 30 hept 1H J 50 | 27 26 m 5H | 18 17 m 8H | 16 15 m 2H | 15 14 m 1H | 14 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1c[nH]c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12
ir: 1 4 6 3 1 1 3 4 3 5 6 7 6 12 12 7 6 9 12 9 6 13 10 10 10 7 10 13 23 7 5 3 4 5 4 3 1 2 13 64 19 18 16 8 10 9 3 1 2 5 2 2 2 8 14 5 7 8 1 2 2 2 2 2 3 8 4 5 5 5 3 0 3 5 3 4 3 5 6 5 4 2 3 6 2 1 2 5 5 1 2 4 11 4 2 5 6 8 7 7 4 3 1 1 1 1 0 1 1 1 1 2 5 3 2 4 5 4 3 3 4 2 2 7 14 4 3 3 5 3 2 1 3 5 2 2 3 12 3 3 5 12 31 39 5 3 4 24 9 11 7 48 25 27 15 23 16 5 4 3 16 13 2 2 1 2 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 1 2 1 1 2 3 3 5 4 9 12 25 35 4 5 10 4 1 1 1 1 1 1 1 1 1 2 2 1 21 32 3 2 3 4 7 15 15 27 12 17 100 38 10 5 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 100 100 d 1H J 68 | 86 86 d 1H J 16 | 84 84 d 1H J 17 | 82 82 d 1H J 22 | 76 76 dd 1H J 22 84 | 76 75 m 1H | 73 72 m 2H | 72 72 d 1H J 83 | 71 70 d 1H J 67 | 70 70 m 1H | 68 68 s 2H | 39 39 s 3H | 30 30 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2ccccc2)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
ir: 2 7 3 5 5 4 1 3 2 1 1 4 6 2 3 2 5 6 2 4 2 4 1 1 1 1 1 2 1 2 3 16 4 3 1 3 2 3 2 2 4 33 5 4 1 1 3 2 1 1 1 2 2 12 70 7 8 5 3 4 2 2 1 2 2 6 14 6 14 8 6 7 2 2 2 2 4 4 2 1 24 34 67 11 0 0 3 7 4 4 7 8 2 9 9 7 12 3 4 3 6 3 1 2 1 2 2 1 1 1 1 1 1 1 9 5 27 5 5 8 2 2 5 5 6 6 5 4 6 2 2 1 2 3 3 17 11 3 1 1 2 2 7 50 4 7 18 3 7 5 4 1 9 13 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 1 1 1 1 1 1 1 1 1 2 1 1 1 2 4 2 4 4 4 7 4 2 6 4 1 2 3 4 6 16 7 22 100 43 10 14 6 4 10 7 53 64 8 3 4 1 0 2 2 1 0 2 2 1 1 1 2 0 1 2 1 1 2 4 6 4 1 3 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 m 6H | 74 74 dd 1H J 23 91 | 74 73 m 3H | 71 70 tt 1H J 15 66 | 68 68 d 1H J 91 | 51 51 d 2H J 9 | 37 37 d 2H J 10 | 34 34 s 1H | 31 30 ddd 2H J 37 64 123 | 29 28 ddd 2H J 37 63 123 | 23 22 ddd 2H J 37 64 135 | 20 19 ddd 2H J 36 63 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(NC(=O)N2CCN(c3cc(-c4ccccc4F)ncn3)CC2)c1C
ir: 3 2 5 7 2 5 14 5 20 7 5 4 2 5 3 5 2 3 5 7 1 3 4 6 2 3 4 2 1 3 4 1 2 5 20 33 25 40 10 3 5 23 71 29 15 29 11 37 100 15 4 6 4 0 3 4 5 3 3 5 5 5 6 6 15 8 31 12 14 11 9 3 3 5 8 3 30 9 2 2 5 5 4 3 6 3 14 9 3 6 7 5 5 4 2 2 3 3 3 5 5 4 4 6 6 3 2 2 4 3 1 6 5 8 6 6 8 5 2 3 11 8 6 6 9 16 6 5 6 6 4 6 15 10 35 7 4 21 10 13 37 31 10 13 29 96 12 6 54 8 5 5 77 8 9 7 12 63 22 5 4 16 25 32 9 4 4 6 2 1 2 2 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 3 4 3 3 3 4 3 1 3 3 5 7 13 8 13 44 20 6 3 3 3 3 2 2 2 3 2 2 2 3 2 1 2 2 2 2 4 9 9 45 11 10 4 6 5 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 86 86 d 1H J 14 | 84 84 s 1H | 78 77 ddd 1H J 13 39 95 | 74 74 dddd 1H J 13 40 77 88 | 73 73 ddd 1H J 14 85 98 | 72 71 ddd 1H J 15 77 102 | 70 69 t 1H J 17 | 37 36 m 4H | 36 35 m 4H | 22 22 s 3H | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncccc1C1CCC(c2ccccc2)CC1
ir: 10 11 6 3 2 2 0 1 7 6 3 11 10 4 10 8 10 15 5 4 2 2 3 2 3 2 2 2 1 4 4 4 9 2 2 3 5 25 41 26 24 21 6 7 5 4 4 3 3 3 2 4 2 4 3 2 2 1 2 1 3 9 7 5 3 1 2 4 2 5 3 4 3 1 1 3 2 1 2 6 1 0 1 1 1 1 1 3 8 11 3 3 1 2 2 2 3 6 4 1 2 1 1 1 1 2 3 4 1 3 3 5 2 3 1 3 0 3 1 1 1 1 3 1 1 1 1 2 3 10 7 5 1 5 20 13 5 3 5 13 3 3 6 4 8 7 8 33 58 14 11 16 16 4 9 24 21 9 4 4 2 1 1 1 1 1 1 0 0 1 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 1 1 1 2 1 1 2 2 1 3 2 4 3 5 11 28 44 15 9 4 1 3 2 1 1 1 1 1 1 1 1 2 3 5 39 2 1 1 1 1 0 0 1 1 1 5 100 3 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 20 40 | 74 73 m 1H | 73 73 m 2H | 73 72 m 3H | 69 68 dd 1H J 41 78 | 56 56 s 2H | 30 29 m 1H | 28 27 m 1H | 21 19 m 4H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(-c2ccc(S(=O)(=O)NCc3ccco3)s2)c(C)[nH]c1=O
ir: 7 9 2 4 4 4 3 6 5 3 2 3 4 3 3 4 4 3 7 4 3 3 3 3 3 4 3 5 4 2 2 3 4 2 4 6 4 5 5 8 6 5 5 5 8 4 6 5 19 15 12 8 6 4 3 4 4 2 4 5 4 3 3 6 4 6 12 66 12 9 6 8 11 5 5 5 5 9 11 4 5 7 5 8 4 6 83 10 1 2 5 9 3 5 6 4 3 4 5 4 6 6 9 25 37 26 17 12 4 4 6 4 3 3 5 3 3 5 4 3 3 6 8 3 4 3 4 4 3 4 4 3 3 4 3 2 2 3 3 3 5 8 6 3 2 3 3 3 4 9 4 8 8 50 5 1 2 5 4 0 2 7 3 100 9 0 3 4 3 2 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 3 3 4 3 3 2 3 5 8 3 6 9 6 10 16 7 5 3 3 3 3 2 3 4 3 2 3 4 3 3 5 6 28 43 7 11 13 8 5 5 4 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 89 88 s 1H | 77 76 m 2H | 74 74 t 1H J 16 | 74 74 d 1H J 79 | 66 65 t 1H J 59 | 63 63 d 2H J 15 | 44 43 d 2H J 58 | 27 27 qd 2H J 13 76 | 24 24 s 3H | 11 11 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC(=O)NC1CCc2c(-c3ccccc3)[nH]c3cccc1c23
ir: 6 7 4 3 2 1 2 1 4 4 3 4 2 1 2 1 1 1 2 2 1 3 3 3 4 4 2 7 12 27 23 18 17 40 40 10 15 3 6 7 3 9 41 4 6 3 23 83 6 1 1 1 1 1 3 4 1 2 2 1 1 0 1 2 0 0 1 1 3 2 1 1 2 2 6 1 3 3 3 3 1 1 1 2 7 1 1 1 1 1 3 4 1 1 2 2 1 3 6 5 1 1 1 1 1 1 7 9 9 8 12 11 4 3 3 3 1 3 2 7 3 8 8 6 6 3 2 2 4 4 3 3 3 2 5 12 4 10 16 11 22 23 63 100 23 48 18 5 4 40 14 5 3 2 2 1 1 1 4 2 2 1 4 1 1 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 2 1 1 1 2 2 1 1 2 2 3 5 10 12 7 8 25 17 4 4 2 2 2 1 1 1 1 1 1 1 1 2 2 1 3 5 3 9 4 19 28 37 15 20 10 7 6 4 1 1 0 0 1 0 1 1 0 1 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 0 0; 1HNMR: 91 91 s 1H | 74 73 m 7H | 72 71 t 1H J 79 | 71 71 m 1H | 70 69 d 1H J 79 | 65 64 t 1H J 63 | 50 49 m 1H | 39 38 m 2H | 35 34 ddd 1H J 60 87 159 | 32 31 ddd 1H J 59 86 158 | 25 23 dddd 1H J 51 60 88 138 | 22 21 dddd 1H J 51 60 86 136 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=Cc1ccc2sc(C#N)cc2c1
ir: 3 8 20 78 17 4 9 8 2 2 4 2 1 2 2 2 1 2 4 3 2 3 3 4 9 7 3 4 1 2 2 1 1 2 4 1 1 2 1 7 1 2 2 1 1 2 1 2 2 3 11 11 52 100 15 1 2 3 1 0 1 3 2 0 2 7 4 17 8 12 8 3 2 2 1 1 2 2 2 3 7 27 26 5 3 1 2 1 2 2 14 8 3 2 6 15 9 4 3 2 1 3 7 2 1 3 3 4 1 2 7 6 40 12 1 6 6 2 5 4 6 3 2 8 9 3 4 5 4 9 6 2 2 3 2 2 3 3 5 11 2 5 8 12 28 3 5 13 10 30 3 5 4 5 5 4 2 0 1 3 5 15 2 2 1 0 1 7 3 0 1 2 1 0 1 2 1 0 1 2 1 1 3 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 2 2 3 2 2 3 5 8 7 23 35 15 16 36 23 9 5 3 5 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 81 m 2H | 78 77 d 1H J 22 | 77 77 dd 1H J 22 79 | 77 76 m 1H | 64 63 d 1H J 161 | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CBr)N1C(=O)c2ccccc2C1=O
ir: 2 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 1 4 49 2 3 2 1 2 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 3 1 1 1 1 1 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 3 3 2 2 1 4 2 2 1 1 2 2 1 2 15 3 6 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 0 8 100 5 4 0 1 3 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 3 2 2 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 45 45 qt 1H J 17 42 | 37 37 dd 1H J 17 98 | 35 34 dd 1H J 17 98 | 13 13 d 3H J 40
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(Cc2ccc(Cl)c(Cl)c2)NC(=O)NC1=O
ir: 3 3 4 5 13 13 10 18 7 3 6 3 3 3 3 3 5 3 3 3 3 3 3 2 11 3 3 3 3 3 4 6 3 3 4 4 4 6 4 4 4 5 8 8 50 100 19 8 7 4 4 5 5 6 9 18 7 4 3 4 3 3 3 3 4 6 3 5 7 6 3 3 2 2 3 3 3 2 3 4 6 6 3 3 2 3 3 3 3 3 6 15 7 3 3 3 3 2 4 4 4 3 5 3 2 2 3 3 2 3 3 3 2 3 8 10 8 5 6 7 9 12 6 3 7 4 4 3 2 3 3 3 3 3 4 3 3 6 3 2 2 3 3 2 2 3 3 3 7 4 5 12 5 5 3 2 2 5 3 0 3 16 30 98 6 2 2 6 3 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 4 9 5 7 16 5 3 3 3 3 3 3 3 3 3 3 2 3 3 2 2 3 3 3 2 5 8 10 54 7 6 6 4 4 3 3 3 2 3 3 3 2 3 3 3 3 3 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 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 89 89 s 1H | 79 79 s 1H | 73 72 d 1H J 77 | 72 72 dt 1H J 9 19 | 71 70 ddt 1H J 9 20 77 | 35 34 dt 1H J 9 143 | 32 31 dt 1H J 9 143 | 15 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCN(Cc2ccc3nc(OC4CCC(C(C)(C)C)CC4)cnc3c2)CC1
ir: 8 14 6 7 27 14 30 15 5 7 6 4 4 4 5 8 12 23 50 5 5 4 4 6 1 4 5 3 1 2 1 4 4 3 3 5 1 6 3 0 9 3 1 0 1 2 2 2 11 2 4 3 4 7 4 17 28 21 11 3 9 5 6 6 8 16 30 8 19 57 12 5 11 9 6 14 13 2 5 3 2 5 29 30 6 3 3 3 6 1 3 5 100 17 19 5 9 4 4 9 13 11 9 5 7 8 6 12 24 22 10 10 12 10 3 61 16 18 8 5 9 4 11 8 3 8 5 10 19 34 17 15 14 5 5 13 2 1 9 3 2 2 2 4 3 3 12 7 4 1 3 51 6 3 2 25 8 1 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 2 2 3 2 4 4 8 6 6 3 4 11 16 7 17 51 19 8 16 75 6 3 3 2 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 79 78 d 1H J 89 | 78 78 dt 1H J 7 22 | 75 75 ddt 1H J 9 20 88 | 48 47 p 1H J 46 | 42 41 q 2H J 63 | 37 36 t 2H J 9 | 30 29 ddd 2H J 55 81 123 | 28 27 ddd 2H J 54 82 121 | 25 24 p 1H J 62 | 22 21 dddd 2H J 53 61 81 125 | 20 19 m 2H | 19 18 dddd 2H J 55 62 82 126 | 17 16 m 5H | 15 14 m 2H | 13 12 t 3H J 63 | 11 10 qddt 1H J 15 31 57 71 | 9 8 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc2c(c(C(C)(C)C)c1)OCCN2C(C)=O
ir: 1 4 4 4 1 2 7 3 0 2 5 3 4 3 6 13 15 5 12 2 6 5 12 7 2 3 8 26 18 28 79 17 1 9 13 10 2 3 4 2 3 18 4 3 2 4 3 3 2 5 2 0 1 3 2 0 1 10 1 0 3 6 8 2 9 10 49 21 35 66 37 19 9 8 4 2 3 2 9 2 2 2 2 2 4 9 10 2 2 2 1 5 4 3 4 3 4 2 1 2 6 10 0 2 3 6 1 7 7 5 3 6 5 4 4 5 22 20 11 12 4 10 22 16 19 22 13 14 17 17 32 34 9 24 65 10 2 3 7 7 9 45 31 17 53 92 18 100 4 8 10 60 8 4 3 3 2 1 2 2 3 4 2 3 3 1 5 8 7 3 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 10 6 5 2 3 4 2 4 4 2 3 3 8 13 30 48 29 13 32 34 18 13 3 3 4 2 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 79 79 d 1H J 20 | 77 76 d 1H J 22 | 43 42 m 2H | 41 41 dd 2H J 46 55 | 26 26 s 3H | 21 20 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C#Cc2cccc3c4c([nH]c23)CCN(C)C4)cn1
ir: 1 1 4 3 6 5 2 3 1 1 1 2 5 22 2 0 0 2 1 1 3 7 1 0 0 3 3 34 3 10 1 2 3 2 7 5 4 4 1 1 2 7 3 7 12 8 7 3 1 1 3 4 5 15 6 2 3 3 1 1 1 1 1 1 2 2 3 1 12 5 8 1 2 1 1 4 3 2 1 2 1 13 4 1 1 2 9 5 2 2 2 1 1 1 1 3 5 10 28 7 13 4 2 1 2 2 0 1 2 1 1 3 3 2 1 4 3 2 1 2 2 4 5 4 2 1 3 5 2 1 6 6 1 1 2 2 25 16 1 1 12 0 0 1 5 1 2 7 16 5 4 2 2 21 16 40 5 3 1 2 10 3 0 0 0 0 0 0 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 1 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 1 1 0 1 1 1 1 1 2 1 1 1 1 2 1 3 3 4 5 16 100 27 5 3 4 2 1 1 0 1 1 1 0 1 1 1 1 1 0 1 1 0 0 2 4 32 92 28 13 4 2 1 1 2 1 0 0 2 2 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 90 s 1H | 87 86 d 1H J 20 | 77 77 dd 1H J 20 75 | 75 75 dd 1H J 12 67 | 74 74 dd 1H J 12 65 | 73 72 t 1H J 67 | 72 71 dt 1H J 8 75 | 38 38 s 2H | 31 31 m 2H | 28 27 m 2H | 25 25 d 3H J 7 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(N2CCOCC2)cc(C(C)C)c1N
ir: 6 4 0 2 9 3 21 24 10 11 10 6 4 5 3 6 5 2 13 13 4 3 3 10 5 4 7 9 8 8 15 11 4 2 2 3 3 3 2 4 11 10 10 8 5 1 3 2 6 2 8 8 3 2 8 3 3 4 2 3 2 2 3 3 3 3 17 6 12 6 6 2 13 34 6 5 6 4 3 4 14 3 2 2 1 1 11 3 2 6 5 3 3 3 4 4 9 4 8 4 2 4 6 5 6 13 6 3 3 3 3 3 6 13 17 4 3 4 5 5 4 4 4 5 3 2 3 2 3 2 3 2 1 2 2 2 1 2 2 2 3 2 2 2 2 2 2 2 3 4 4 3 4 3 7 20 50 88 34 11 3 6 2 1 2 3 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 3 3 3 3 3 2 3 2 4 5 5 3 4 4 4 6 11 15 6 8 30 17 7 6 5 2 2 2 2 2 2 2 2 1 1 2 3 1 1 59 11 3 2 1 1 2 3 2 3 6 12 100 48 3 1 3 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 2 2 2 3 3 2 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 64 64 s 2H | 39 38 m 4H | 38 38 s 2H | 34 34 m 4H | 31 30 heptd 2H J 9 70 | 13 13 d 12H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnn(-c2ccccc2)c(=O)c1Cl
ir: 8 4 2 6 11 10 2 6 6 4 5 11 8 4 1 5 10 7 7 89 13 5 3 8 9 5 7 13 12 8 16 23 21 20 5 8 7 2 5 19 34 31 19 9 5 5 4 16 31 20 13 7 3 0 3 10 8 2 7 11 6 3 4 7 5 2 18 21 11 4 11 8 30 5 17 14 15 5 11 14 18 2 6 5 2 2 4 5 1 2 5 5 2 13 16 9 6 3 6 4 1 2 5 6 37 4 5 4 1 3 6 3 1 4 6 7 1 5 7 5 2 4 7 5 5 19 100 13 7 6 9 5 29 13 11 26 5 8 7 4 17 8 9 27 66 24 15 2 2 8 6 16 13 6 14 18 15 36 4 2 10 6 3 1 3 6 3 0 3 5 3 0 3 5 3 0 3 5 3 0 3 5 2 0 3 5 2 1 4 5 2 1 4 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 0 2 5 3 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 5 4 2 3 5 4 1 3 5 3 1 3 6 4 5 10 11 20 36 22 72 34 17 16 14 10 2 4 6 4 3 4 5 3 2 4 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 78 78 m 2H | 75 74 m 2H | 74 74 s 2H | 73 72 tt 1H J 15 76 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1ccccc1)c1ccc(O)cc1
ir: 3 2 2 2 3 3 2 2 3 3 3 3 4 4 2 4 6 3 2 2 3 5 2 3 2 1 1 2 4 3 6 11 10 14 5 4 2 3 4 24 15 6 6 4 3 1 2 2 2 2 3 5 3 5 6 37 28 2 5 4 4 8 2 2 2 2 2 4 11 25 4 5 2 4 4 5 3 9 20 33 100 27 11 5 2 19 44 14 11 7 5 3 3 12 11 8 3 5 7 4 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 3 4 4 3 1 2 2 4 2 2 2 3 2 1 3 11 8 3 2 2 1 1 3 14 18 6 3 6 4 10 14 17 9 6 8 3 2 2 2 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 2 1 1 2 2 2 1 2 2 1 1 2 2 0 3 3 6 20 45 68 81 24 11 4 2 5 70 20 49 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 s 1H | 73 72 m 5H | 69 68 m 2H | 67 66 m 2H | 45 45 d 0H J 16 | 45 45 s 2H | 30 30 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1nn(CC(F)(F)F)cc1Cl
ir: 7 8 8 7 7 8 11 9 7 8 10 10 11 9 10 6 5 8 9 4 27 19 37 59 76 15 8 7 7 6 7 7 9 8 7 13 9 8 7 8 7 6 6 7 7 6 6 7 6 6 6 7 6 6 7 8 7 7 13 11 7 7 7 11 16 27 20 8 8 10 7 6 7 7 6 6 9 12 68 88 6 6 7 8 7 6 7 8 7 14 11 16 3 29 10 5 8 7 7 11 21 12 14 8 13 11 16 8 7 8 9 11 10 8 7 7 7 9 10 10 9 9 8 10 10 7 6 7 7 24 29 10 12 10 8 7 6 7 7 6 6 7 7 10 8 7 7 6 6 9 26 21 28 9 13 9 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 7 6 6 6 7 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 7 7 7 6 7 7 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 9 8 7 7 7 6 7 8 8 7 11 9 7 6 9 10 24 14 10 10 5 0 100 80 18 11 6 5 7 8 6 5 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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; 1HNMR: 81 81 d 1H J 9 | 50 50 dd 1H J 9 119 | 50 49 dd 1H J 9 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCNC(=O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1
ir: 2 2 2 2 2 2 2 1 2 2 4 2 2 2 5 2 2 2 3 3 3 19 22 14 11 0 1 3 5 6 5 4 7 9 4 4 7 1 4 10 22 13 4 8 9 16 3 2 2 0 2 2 2 13 13 1 2 3 2 2 1 1 1 2 1 5 3 4 2 3 4 3 3 1 1 1 2 3 7 8 4 1 1 1 0 0 2 2 2 7 1 1 0 1 1 2 1 3 5 3 1 1 2 1 1 2 1 1 2 1 3 3 3 2 2 2 2 3 2 3 4 7 5 3 3 1 2 1 2 1 1 2 1 2 4 10 7 3 2 2 3 4 4 100 15 9 19 23 23 30 8 7 6 7 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 2 1 1 1 1 1 1 2 4 9 12 13 24 18 14 6 3 2 0 3 5 30 90 4 1 2 1 1 1 1 2 2 2 3 8 8 7 4 5 5 5 5 5 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 0 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; 1HNMR: 79 79 t 1H J 50 | 74 73 m 10H | 73 73 m 2H | 70 69 d 1H J 91 | 69 69 dd 1H J 27 91 | 51 50 d 4H J 9 | 34 33 q 2H J 55 | 24 23 t 2H J 88 | 19 18 tt 2H J 55 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(OC2CCNCC2)nc1
ir: 4 4 9 18 16 4 4 4 4 6 5 8 5 8 5 4 6 4 4 5 6 12 9 24 6 6 15 19 8 12 11 13 9 20 24 20 18 14 6 6 5 3 4 4 4 6 6 8 12 24 15 10 48 96 32 9 10 4 5 5 4 3 4 4 3 2 7 7 7 22 5 7 6 6 6 6 7 5 4 4 3 3 4 3 4 3 6 3 3 4 8 7 4 4 4 3 3 5 6 3 3 3 4 4 4 4 12 9 7 10 17 22 24 26 23 23 22 16 17 42 4 6 7 5 3 5 11 17 42 20 9 9 14 7 6 8 14 51 8 3 3 3 4 3 2 5 5 0 38 3 3 8 4 4 3 4 5 2 100 21 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 4 3 4 5 6 4 5 4 4 4 4 6 15 10 9 27 31 22 10 4 5 4 3 3 3 3 3 3 3 4 5 6 10 13 14 64 50 14 9 7 6 5 3 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 82 82 d 1H J 19 | 77 76 dd 1H J 19 85 | 69 68 d 1H J 85 | 48 47 p 1H J 55 | 46 45 p 1H J 40 | 33 32 dddd 2H J 29 38 57 135 | 30 29 dddd 2H J 29 39 57 134 | 22 21 dtd 2H J 30 56 141 | 20 19 dtd 2H J 29 55 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(C(=O)N2CCOCC2)c(Br)c1
ir: 5 3 5 5 1 26 6 7 4 5 8 4 2 3 4 3 2 3 6 4 21 6 4 21 7 7 7 1 71 8 8 10 38 3 6 6 7 7 28 18 13 8 4 4 14 8 5 3 3 3 3 4 5 2 28 55 8 9 2 0 2 3 2 2 4 5 6 12 26 4 3 3 11 35 3 4 3 3 2 1 3 6 4 1 2 6 4 3 3 4 2 4 5 6 2 2 3 2 1 2 4 5 3 2 4 2 1 3 9 27 15 5 8 7 1 4 4 4 8 10 13 37 39 11 7 26 53 12 9 6 4 7 9 7 8 3 3 4 4 5 27 40 23 7 7 15 6 13 65 17 13 36 5 1 3 3 2 0 1 3 2 1 5 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 1 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 4 1 2 4 5 1 6 7 2 2 3 7 7 7 46 25 25 100 19 6 4 3 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 80 d 1H J 22 | 79 79 dd 1H J 21 87 | 78 78 d 1H J 86 | 37 36 ddt 8H J 34 45 69 | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CCC(=O)NOC(=O)OCc1ccccc1
ir: 6 8 13 3 3 3 7 3 2 7 8 6 10 11 4 12 8 5 6 7 14 6 7 13 5 17 14 19 9 7 7 10 11 8 8 5 3 1 4 15 17 13 11 22 34 5 6 12 9 2 1 1 1 2 2 0 1 1 1 1 1 1 1 1 2 2 3 1 2 1 1 2 2 1 2 4 5 5 2 2 1 2 1 1 1 1 1 1 2 19 1 1 1 1 1 0 1 3 2 1 1 1 1 1 1 0 0 1 1 1 1 1 2 5 15 6 5 3 4 2 3 9 4 2 2 2 1 2 2 1 1 1 1 4 12 7 4 2 1 1 2 2 26 47 58 18 32 30 49 12 4 4 7 1 2 2 4 12 10 5 2 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 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 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 1 1 1 1 6 2 2 2 1 1 1 1 1 4 15 5 7 5 30 8 4 4 1 1 1 1 0 1 1 0 0 1 1 1 2 14 16 4 2 3 7 17 30 13 4 1 1 8 100 93 24 1 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 s 1H | 74 73 m 6H | 65 65 s 2H | 52 52 d 2H J 7 | 26 25 m 2H | 24 23 td 2H J 8 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccc(Cl)cc1NC(=O)Nc1cnc(C#N)c(OCC=C)n1
ir: 0 2 3 2 1 3 3 2 1 3 7 24 4 3 4 6 3 5 4 4 1 2 4 2 3 6 4 4 8 8 4 3 3 5 4 6 8 4 3 3 4 3 16 9 25 14 11 6 2 4 3 0 2 4 10 4 6 4 3 1 3 5 3 8 4 6 7 12 14 15 3 2 10 5 4 2 3 4 2 1 3 3 2 1 3 7 2 5 33 6 2 4 3 4 6 4 4 4 2 4 6 2 2 4 8 7 3 2 3 7 0 3 7 19 5 2 4 2 6 4 4 2 2 2 3 2 1 3 5 2 2 3 3 2 3 8 32 37 8 6 7 9 4 3 3 2 18 6 3 28 3 21 15 9 19 100 8 2 6 20 2 2 5 3 2 1 2 3 2 1 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 1 2 2 1 1 2 2 1 1 3 2 0 2 3 2 0 1 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 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 3 3 5 2 5 15 8 4 5 9 19 33 7 9 6 5 4 3 3 2 3 4 2 2 3 4 3 3 2 3 3 4 7 17 7 13 82 19 5 2 4 8 5 1 2 3 1 1 2 2 1 1 3 2 1 1 2 2 0 2 2 2 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 100 99 s 1H | 86 85 s 1H | 83 82 s 1H | 75 75 d 1H J 22 | 71 70 dd 1H J 22 88 | 69 69 d 1H J 87 | 61 59 m 2H | 54 53 m 2H | 53 52 dddt 2H J 13 24 146 169 | 50 49 dt 2H J 14 66 | 46 46 dt 2H J 13 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)[C@@H](F)C3)cnc2N)cc1F
ir: 24 9 9 3 6 3 6 8 4 12 8 5 7 6 16 9 9 5 14 9 47 23 19 9 9 6 4 5 6 3 5 2 4 3 4 4 3 3 4 2 3 3 3 3 5 5 4 4 3 1 3 3 2 4 5 39 7 3 4 3 3 13 3 2 2 4 2 3 4 3 7 3 3 4 2 4 3 2 2 9 6 1 2 2 2 3 2 4 15 62 9 5 3 4 4 4 4 3 4 2 1 2 5 5 5 7 6 2 1 5 19 3 2 3 7 4 0 8 7 6 7 3 4 3 21 10 7 4 4 3 3 6 6 2 2 4 3 4 2 1 1 2 3 30 6 21 2 2 3 12 27 20 31 14 23 7 3 26 12 1 2 3 6 3 1 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 2 2 3 2 2 1 1 2 1 2 2 2 2 1 1 2 3 4 3 3 2 1 2 2 2 2 2 7 11 4 10 17 6 4 2 2 2 6 20 80 30 10 2 3 1 0 2 2 3 10 50 4 2 1 2 1 1 1 1 2 3 3 100 5 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 dd 1H J 50 97 | 79 79 d 1H J 8 | 78 78 dd 1H J 21 98 | 77 77 dd 1H J 21 121 | 67 66 s 2H | 48 47 dddd 1H J 26 55 69 80 | 46 46 dddd 1H J 25 54 68 80 | 38 36 m 2H | 31 30 m 1H | 24 23 m 1H | 22 20 m 3H | 19 17 m 2H | 16 16 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2nc(NS(C)(=O)=O)ncc2Oc2ccc(F)cc2F)c2c(c1=O)CCCC2
ir: 1 1 2 7 3 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 3 1 14 6 6 2 0 1 2 2 1 3 4 4 4 6 12 6 3 3 3 3 1 4 4 1 3 2 5 2 12 7 2 1 0 1 1 1 1 2 1 1 1 1 1 1 1 8 13 4 2 18 14 1 1 1 1 1 2 2 2 2 1 2 8 2 4 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 3 11 3 3 4 5 4 1 1 1 1 1 1 1 10 4 3 27 4 2 1 3 6 1 2 4 2 2 1 1 1 1 1 1 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 5 8 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 2 0 2 100 24 4 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 93 s 1H | 87 86 q 1H J 11 | 82 82 s 1H | 71 71 m 1H | 70 69 m 2H | 34 34 d 3H J 10 | 31 31 s 2H | 27 26 dddd 2H J 12 22 52 87 | 25 24 dddd 2H J 10 24 46 68 | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2cccc(OC[C@H]3CO3)c2)c2sccc21
ir: 0 3 4 2 4 3 4 2 1 8 14 5 5 4 5 10 3 4 3 2 3 3 4 4 5 9 7 3 9 4 8 12 7 5 9 31 4 5 5 3 3 7 4 4 30 78 6 2 21 26 10 0 3 9 10 1 2 3 6 3 2 4 6 2 4 12 11 26 10 30 9 6 3 4 5 8 5 4 4 2 9 4 7 6 5 6 1 1 6 10 10 3 3 2 1 1 6 3 1 2 3 2 1 2 3 2 3 2 3 2 1 2 3 2 1 2 5 3 2 6 8 4 4 5 5 9 10 43 13 4 2 10 6 6 78 4 3 2 1 4 5 19 28 32 9 5 8 6 5 1 2 3 3 3 11 20 13 3 3 3 2 0 2 10 3 1 2 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 3 1 1 3 2 2 2 7 3 3 12 6 4 8 13 8 22 100 52 54 62 11 4 5 3 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 d 1H J 53 | 75 74 ddd 1H J 12 21 86 | 73 73 dd 1H J 79 86 | 73 72 t 1H J 21 | 72 72 d 1H J 53 | 69 68 ddd 1H J 11 21 79 | 42 42 dd 1H J 40 117 | 40 39 dd 1H J 40 117 | 39 39 s 2H | 34 33 qd 1H J 28 39 | 31 30 dd 1H J 37 77 | 27 27 dd 1H J 27 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C[C@H](CSc1ccccc1)NC(=O)OC(C)(C)C
ir: 30 12 6 8 18 6 3 3 14 8 7 7 10 5 11 5 2 1 2 1 2 1 3 6 3 4 26 18 13 63 22 7 14 5 5 37 11 27 24 18 71 33 28 7 6 16 10 2 2 2 2 7 6 3 3 4 2 2 2 0 2 5 1 3 33 17 9 11 24 3 1 1 3 2 5 5 3 10 2 1 3 5 1 2 6 4 9 24 17 3 3 6 21 12 7 8 6 7 3 3 4 3 10 3 13 8 6 9 9 4 6 8 9 8 3 3 4 5 17 5 9 10 6 12 11 2 3 9 7 8 10 12 5 4 17 7 2 2 2 6 10 8 28 77 81 46 10 11 5 30 43 6 4 3 2 0 1 3 1 1 1 2 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 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 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 2 2 2 1 3 3 2 6 1 1 2 2 2 4 9 8 13 36 16 22 33 26 5 2 6 4 3 2 3 2 2 4 1 1 1 1 1 1 3 1 1 4 11 6 27 100 32 12 6 2 0 1 1 0 0 1 1 0 0 1 1 1 0 1 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 m 6H | 47 47 d 1H J 73 | 40 39 dp 1H J 45 73 | 32 31 dd 1H J 46 141 | 29 29 dd 1H J 46 141 | 27 26 dd 1H J 43 118 | 25 25 dd 1H J 43 118 | 22 22 s 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C2CCC1CC(=NNc1ccc(Br)cc1Cl)C2
ir: 10 14 15 14 3 7 4 5 5 12 13 5 3 11 39 27 9 3 3 4 2 1 2 1 3 3 19 18 100 4 8 5 4 1 1 4 15 10 6 2 1 7 2 2 3 1 2 4 4 3 7 6 3 8 50 8 3 8 3 3 4 16 8 1 1 1 3 19 2 2 2 1 2 1 1 2 3 1 1 1 4 2 1 1 2 2 2 2 1 3 1 2 5 1 3 9 8 5 5 4 13 14 14 18 6 5 7 11 14 7 10 20 22 10 13 11 19 15 13 12 9 9 8 15 3 5 3 19 31 25 5 11 63 57 17 5 2 4 2 2 8 2 16 8 24 32 31 15 5 9 15 35 8 6 2 0 0 4 30 2 1 0 11 3 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 3 1 4 12 8 11 3 1 9 4 18 22 16 6 28 27 20 9 3 1 2 3 1 1 1 1 1 1 1 1 1 1 2 3 3 2 6 15 38 55 55 80 16 3 1 1 1 1 2 1 1 1 1 1 1 1 0 1 0 0 1 0 0 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 s 1H | 77 76 dd 1H J 8 16 | 75 74 m 2H | 43 42 dddd 2H J 16 31 57 63 | 29 28 dd 2H J 55 148 | 26 26 dd 2H J 55 148 | 21 20 m 2H | 18 17 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(-c2ccc(S(=O)(=O)N3C(C(=O)O)CC4CCCC43)cc2)cc1
ir: 6 9 6 7 9 6 20 10 5 4 10 14 30 22 10 7 20 19 18 20 42 10 6 15 6 2 2 1 4 2 3 2 3 1 2 11 2 3 3 2 4 2 2 1 1 1 1 1 2 1 3 0 3 7 17 3 6 15 8 3 2 2 4 3 18 15 4 4 5 10 5 2 3 3 1 1 10 18 19 19 12 13 6 8 65 47 10 7 18 12 4 5 4 4 2 2 3 1 1 11 2 2 1 3 6 3 9 4 2 2 0 1 2 1 2 2 3 2 0 6 9 4 3 8 5 2 2 2 4 1 1 1 1 0 1 1 1 1 1 1 1 1 2 4 17 10 5 6 4 12 11 4 15 5 20 5 40 6 3 3 14 5 1 3 27 6 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 2 3 3 2 2 2 2 6 9 21 41 76 17 3 9 7 2 0 2 3 13 18 2 2 0 0 1 2 1 19 57 1 1 1 1 1 1 2 9 6 4 12 100 8 5 3 4 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 3 2 6 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 90 s 1H | 78 78 s 4H | 76 75 m 2H | 67 67 m 2H | 45 44 s 2H | 44 43 t 1H J 75 | 40 39 q 1H J 45 | 26 25 m 1H | 24 23 ddd 1H J 41 75 116 | 21 20 ddd 1H J 41 75 116 | 20 19 dddd 1H J 45 54 71 114 | 18 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(=O)N1CCc1c[nH]c2ccccc12
ir: 4 12 1 2 1 1 1 2 2 1 1 1 2 1 2 1 3 2 1 6 2 1 1 2 2 37 70 1 2 22 17 2 1 1 1 2 1 3 2 2 1 1 2 5 1 2 1 1 3 6 14 15 3 2 1 1 1 1 2 1 1 5 1 1 1 1 2 4 7 2 1 1 2 1 3 5 2 1 1 1 1 1 1 1 1 1 1 4 4 1 1 2 1 3 2 2 9 2 1 7 1 1 2 3 9 4 3 4 7 2 2 7 1 2 3 2 4 3 4 8 36 22 4 4 4 7 3 5 4 2 1 1 1 1 2 6 10 14 4 1 2 9 7 2 2 3 18 3 1 3 3 7 100 14 1 6 1 0 1 2 4 5 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 2 3 3 1 1 2 3 2 11 4 5 13 11 6 18 11 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 12 28 9 2 1 1 2 1 1 1 1 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 d 1H J 70 | 76 75 m 1H | 74 73 dd 1H J 14 77 | 72 71 m 2H | 71 71 m 1H | 42 41 t 2H J 62 | 31 31 td 2H J 8 62 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(C2CCCCC2)c1
ir: 1 1 1 2 2 3 31 14 5 2 1 1 1 1 1 2 2 6 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 3 3 4 4 2 2 1 2 1 2 2 1 2 3 1 1 2 10 88 56 5 12 3 2 1 2 2 1 2 4 3 3 21 18 4 4 8 8 25 5 5 3 5 3 1 1 1 1 1 1 2 2 2 1 7 4 4 4 16 37 34 19 3 3 4 4 12 19 8 5 2 3 6 9 3 11 12 20 12 19 22 9 11 7 7 6 2 3 7 10 6 7 4 3 3 3 6 3 2 2 1 1 1 1 1 1 2 2 4 18 30 3 3 0 5 34 27 4 1 5 25 10 3 0 1 1 1 1 9 2 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 2 3 4 4 5 9 10 6 7 6 6 6 11 28 36 100 64 44 13 6 3 1 1 3 3 2 1 1 1 1 1 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 dq 1H J 10 83 | 70 70 d 1H J 21 | 70 69 m 1H | 28 28 m 1H | 23 23 d 3H J 8 | 23 23 d 3H J 11 | 20 19 m 2H | 17 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCC(CCC(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1
ir: 1 1 0 1 1 1 2 3 1 1 1 1 4 1 2 12 2 2 2 2 4 7 7 5 5 6 3 4 3 3 10 1 3 3 1 13 5 3 6 19 6 1 3 6 6 4 1 2 1 0 0 1 1 0 3 3 3 4 3 6 3 0 3 4 1 1 6 5 2 7 6 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 0 1 2 1 1 1 1 3 7 1 4 4 4 2 3 2 13 6 22 7 3 9 5 6 4 6 5 6 1 8 4 5 5 5 8 3 7 10 14 4 5 15 7 28 4 4 15 13 4 5 3 1 0 2 3 0 46 6 5 27 6 11 5 100 1 2 1 0 0 4 1 0 1 1 1 1 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 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 3 1 1 2 2 10 9 4 5 4 2 2 4 5 4 18 9 10 22 10 4 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 77 dt 1H J 9 19 | 77 76 dd 1H J 10 21 | 42 42 t 2H J 43 | 36 35 m 4H | 32 31 qtd 2H J 8 42 134 | 30 29 t 2H J 85 | 29 29 m 2H | 26 26 m 2H | 21 21 s 2H | 19 18 m 2H | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCN(C(C)=O)c1cccc2c1CCC(N(CCC)CCC)C2
ir: 2 3 3 10 10 5 15 5 19 7 8 4 2 3 4 22 6 3 11 5 3 3 5 5 10 7 14 21 12 3 4 3 1 2 4 1 1 33 0 3 4 17 4 10 14 10 7 3 2 1 7 2 3 3 3 0 8 14 9 6 8 6 10 2 3 1 3 4 7 13 20 5 6 6 4 5 7 14 14 9 4 5 1 6 10 21 2 3 6 6 33 7 47 3 4 3 5 5 6 4 2 6 6 2 5 7 10 4 2 4 7 3 2 2 4 3 2 7 23 11 15 14 5 8 9 6 2 3 5 13 19 59 20 9 2 4 5 8 4 11 7 18 12 8 7 6 4 100 2 3 3 0 2 2 1 1 1 46 2 1 1 2 0 0 0 1 1 0 1 1 1 0 1 1 0 0 9 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 0 0 1 0 1 0 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 1 0 1 0 0 1 1 1 1 1 1 1 1 1 0 1 2 4 2 3 2 2 7 7 4 4 4 4 8 7 14 12 21 12 36 52 11 3 3 2 1 3 1 1 1 1 1 1 1 1 4 9 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; 1HNMR: 72 72 dd 1H J 77 84 | 71 70 dd 1H J 11 77 | 69 69 dq 1H J 10 84 | 43 43 d 2H J 24 | 30 29 m 2H | 29 28 m 2H | 27 27 t 1H J 26 | 27 26 m 3H | 26 25 dt 2H J 66 121 | 23 23 s 2H | 21 20 ddt 1H J 59 84 121 | 19 18 ddt 1H J 59 84 121 | 16 14 m 4H | 10 9 t 6H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccc(-c2nc(-c3cccc4c(C(=O)NCCC(=O)O)c[nH]c34)no2)cc1Cl
ir: 3 2 1 6 6 4 3 7 4 13 6 2 4 8 7 6 5 7 9 16 37 46 36 15 15 5 4 5 3 12 11 5 2 3 3 5 7 44 36 7 3 9 7 6 3 3 1 3 6 3 3 2 2 3 5 8 3 2 2 2 2 2 1 2 2 1 2 5 4 0 1 2 1 1 4 4 6 10 13 12 8 6 3 2 5 2 4 5 1 2 3 3 2 2 2 4 2 3 3 3 9 4 1 4 1 2 2 1 1 1 1 1 1 4 6 2 3 6 7 4 7 6 4 13 7 8 7 5 9 10 7 2 3 2 5 2 1 5 9 9 21 6 33 100 23 11 7 5 3 9 10 4 4 4 8 5 2 1 1 1 3 6 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 2 1 1 1 2 2 2 1 1 1 2 2 2 4 10 5 4 16 22 3 14 13 3 2 2 3 31 76 9 2 1 3 1 1 2 2 1 2 2 2 3 6 11 37 15 7 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 91 90 t 1H J 53 | 83 83 dt 1H J 6 77 | 82 81 d 1H J 71 | 80 80 m 1H | 80 79 d 1H J 21 | 78 78 dd 1H J 22 90 | 77 76 dd 1H J 77 93 | 72 71 d 1H J 88 | 46 46 p 1H J 57 | 35 34 q 2H J 56 | 26 25 t 2H J 57 | 14 13 d 7H J 57
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)(F)F)Cc1ccc(F)c(F)c1
ir: 1 2 4 1 6 6 3 2 0 2 3 6 1 2 3 1 2 2 4 7 52 6 4 15 8 7 3 1 1 2 2 2 8 3 2 1 10 5 8 3 6 7 5 1 1 3 2 0 1 2 3 0 3 4 7 33 4 2 1 1 5 2 1 1 2 3 3 8 37 7 3 0 2 3 1 0 2 2 1 1 3 2 1 1 4 19 10 7 16 7 22 8 19 13 8 8 7 24 9 4 57 28 18 10 5 10 7 11 19 5 6 3 3 4 6 15 20 20 27 17 24 17 19 5 10 17 1 3 4 3 6 2 3 1 2 2 3 2 3 2 5 22 2 2 2 2 2 1 17 100 1 7 15 3 1 2 2 0 1 3 2 15 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 8 3 0 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 3 6 8 5 7 4 4 2 5 7 11 24 25 15 13 86 23 8 17 5 3 5 4 1 2 3 1 1 2 2 1 2 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 71 70 m 2H | 70 70 m 1H | 31 31 t 2H J 8 | 26 25 qt 2H J 76 143 | 21 20 tq 2H J 25 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)C(=NOC)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F
ir: 7 5 5 6 10 8 3 1 2 4 13 2 2 5 9 13 3 3 3 6 2 2 3 5 23 35 16 6 3 2 3 3 3 5 1 3 3 18 21 18 27 12 41 38 10 9 3 4 6 8 2 0 1 2 2 0 1 2 1 1 2 2 2 1 1 1 2 4 6 6 5 8 6 17 3 11 2 2 1 1 2 3 3 4 2 2 2 4 4 2 1 1 2 3 3 5 3 2 16 16 3 6 13 1 2 1 0 1 2 2 1 2 11 2 1 1 2 2 2 5 7 21 17 6 6 2 2 1 2 2 12 5 17 3 1 4 13 28 7 7 3 7 11 3 9 8 25 31 55 8 3 4 6 3 3 13 14 0 2 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 3 2 3 4 15 17 100 27 8 4 1 2 3 2 1 1 2 1 1 1 2 1 1 2 4 5 3 6 13 18 10 16 20 19 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1; 1HNMR: 83 83 s 1H | 77 77 dd 1H J 15 74 | 76 75 td 1H J 16 78 | 74 74 dd 1H J 14 79 | 73 73 td 1H J 13 75 | 72 72 m 2H | 71 71 q 1H J 49 | 71 70 dd 1H J 12 78 | 70 70 td 1H J 11 76 | 40 39 s 2H | 29 28 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cccs1)c1cnn2c(-c3cccc(NCc4ccccc4)c3)ccnc12
ir: 1 3 3 5 4 10 4 4 9 8 3 17 5 5 5 3 0 3 4 2 0 1 4 5 2 2 2 2 2 2 14 3 4 4 5 0 2 11 100 55 15 3 5 15 4 3 4 14 8 0 1 2 2 2 2 1 3 2 1 1 1 1 2 1 1 2 1 5 8 5 2 2 3 3 1 1 1 3 4 4 4 3 4 4 12 3 5 2 2 3 2 2 16 3 3 3 2 2 2 3 4 4 1 1 2 6 0 1 2 1 0 1 2 2 0 3 3 8 1 3 6 5 2 2 3 1 0 2 3 1 2 9 1 1 1 8 4 4 3 18 8 6 11 7 8 12 4 10 4 2 1 2 23 4 9 8 6 4 26 20 2 1 1 2 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 3 3 6 8 33 15 33 18 3 1 2 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 4 16 98 9 4 1 2 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 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 0 0 0 1; 1HNMR: 86 85 s 1H | 84 84 d 1H J 73 | 81 81 dd 1H J 17 54 | 77 77 dd 1H J 16 62 | 77 76 ddd 1H J 12 22 71 | 75 75 d 1H J 71 | 74 74 t 1H J 22 | 74 72 m 7H | 68 67 ddd 1H J 13 22 81 | 51 51 t 1H J 54 | 44 43 dt 2H J 9 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccn2cc(CO)nc2c1)c1cc2cc(C(F)(F)F)cnc2n1Cc1cccc(F)c1
ir: 5 6 3 4 2 4 4 15 2 2 3 2 1 2 2 3 3 3 3 2 3 2 3 3 2 2 2 3 2 4 4 2 3 2 2 9 2 4 5 2 5 8 5 12 8 6 5 37 3 1 4 4 2 2 2 5 2 6 22 2 3 14 3 6 13 3 3 3 7 12 4 4 3 6 3 7 5 4 4 4 4 4 21 3 3 5 9 15 6 10 4 4 4 5 2 3 5 12 4 63 7 3 2 4 9 11 9 6 14 8 4 4 4 4 56 6 3 14 5 5 5 6 6 5 9 8 5 4 10 4 4 2 2 7 3 9 6 4 5 5 15 3 2 7 6 6 2 2 2 2 3 28 4 5 3 3 2 1 2 2 5 1 1 2 2 1 2 9 2 0 6 1 2 6 6 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 2 2 2 2 4 2 3 7 4 7 3 2 3 3 6 11 32 20 13 100 46 22 13 13 4 3 6 14 5 2 3 3 2 1 2 2 2 2 2 2 2 3 21 24 9 5 3 2 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 91 91 d 1H J 76 | 87 87 t 1H J 19 | 86 85 p 1H J 13 | 79 79 d 1H J 20 | 78 78 d 1H J 9 | 76 76 d 1H J 15 | 73 72 m 2H | 72 71 ddq 1H J 10 21 68 | 71 70 ddddd 2H J 11 22 78 101 125 | 58 58 t 2H J 9 | 47 46 dd 2H J 9 51 | 36 36 t 1H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCSCc1ccncn1
ir: 2 3 1 2 3 6 4 2 1 1 1 1 1 1 1 1 1 2 8 6 2 1 1 1 1 1 2 4 4 2 4 6 12 14 66 69 11 19 5 3 3 1 1 2 2 4 5 3 4 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 2 0 1 1 2 2 2 2 4 8 1 1 2 1 1 2 3 3 4 14 13 32 18 21 12 6 13 11 10 4 8 5 2 2 2 0 1 3 3 3 4 2 5 9 14 17 37 36 10 5 2 2 2 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 10 5 1 2 1 1 0 1 2 2 10 11 11 1 1 2 4 1 3 3 14 63 33 7 2 2 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 4 1 1 1 1 1 3 9 11 10 6 13 18 2 4 3 4 3 37 100 8 3 2 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 m 1H | 87 87 dd 1H J 17 41 | 71 71 ddt 1H J 9 15 42 | 38 37 m 4H | 29 29 t 1H J 56 | 28 28 t 2H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(CCF)c2c(OC)c(F)c(F)cc2c1=O
ir: 2 2 2 1 1 2 2 2 4 2 1 2 2 2 7 11 3 2 2 1 5 2 1 1 1 9 3 5 3 9 2 1 1 2 4 2 3 1 1 1 4 1 1 2 2 2 4 16 100 10 3 4 2 2 3 2 1 2 7 3 2 2 4 16 5 2 1 2 7 9 5 5 1 5 5 3 8 2 2 1 1 5 7 2 1 1 1 1 1 1 1 1 7 5 3 18 3 5 2 2 3 3 6 1 1 2 11 33 11 2 2 3 2 3 6 4 1 3 4 2 1 5 10 3 6 12 10 4 2 7 2 10 3 2 2 1 1 2 6 16 4 2 1 5 1 1 1 2 5 3 19 8 2 28 3 3 2 1 2 0 14 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 3 2 1 2 1 2 2 2 6 12 4 4 25 5 4 9 13 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 t 1H J 9 | 81 80 dd 1H J 48 121 | 48 47 t 1H J 50 | 47 46 t 1H J 50 | 43 42 q 2H J 71 | 42 42 td 1H J 9 50 | 42 41 td 1H J 9 50 | 39 39 s 2H | 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.
CC(C)(C)OC(=O)N1CCC(n2ccc3cc(N)ccc32)CC1
ir: 17 38 16 24 19 21 10 11 12 15 31 19 6 5 8 7 5 4 5 8 10 7 5 4 3 3 3 6 4 4 6 15 7 4 5 5 10 6 4 3 3 4 3 4 4 3 2 2 3 3 3 6 7 11 40 11 5 7 4 4 3 4 7 2 3 3 4 7 6 4 3 3 3 3 2 3 3 3 4 21 10 3 4 2 3 5 5 4 4 3 3 5 21 6 3 3 4 4 3 3 4 6 17 5 5 11 7 5 6 6 3 12 6 4 3 4 9 11 10 8 6 16 8 14 5 4 6 7 5 6 7 8 5 4 5 5 13 6 4 5 8 6 4 2 3 4 3 2 3 6 8 64 9 10 12 28 21 93 7 12 4 0 2 13 100 9 5 1 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 3 3 3 3 3 2 3 3 3 3 4 4 5 3 6 5 4 4 3 3 5 6 6 11 20 12 10 14 17 16 14 23 5 5 4 4 2 2 3 4 2 1 3 6 3 60 53 9 4 4 2 2 3 3 2 3 8 55 19 7 4 4 2 3 3 3 2 2 3 3 2 2 3 2 2 2 4 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 1H | 73 72 d 1H J 79 | 69 68 t 1H J 22 | 68 67 dd 1H J 22 79 | 67 66 dd 1H J 21 52 | 43 42 m 1H | 41 41 s 2H | 38 37 ddd 2H J 44 71 117 | 34 34 ddd 2H J 46 73 117 | 21 20 dddd 2H J 33 44 71 119 | 18 17 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)ON=C2CC(c3ccccc3)c3ccccc32)cc1
ir: 4 7 12 9 6 3 5 7 21 4 2 6 25 2 4 5 5 1 1 1 2 1 2 6 9 6 5 2 4 5 3 21 6 3 3 6 4 3 1 7 6 26 26 24 4 0 4 6 4 2 2 2 5 28 3 3 2 2 1 2 1 0 1 2 2 19 31 9 4 8 3 2 0 2 2 2 1 2 3 3 2 10 5 9 35 8 5 3 17 5 10 4 7 26 17 3 4 3 3 4 2 2 1 1 0 1 1 1 0 1 2 5 1 1 1 2 1 2 3 4 3 5 7 6 10 8 4 1 1 1 2 1 1 2 4 13 2 24 2 3 2 2 6 6 4 4 5 46 10 5 8 4 6 2 1 1 1 1 1 2 2 2 1 1 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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 1 1 1 1 1 1 1 2 2 1 2 3 3 4 7 5 22 22 100 15 6 6 7 5 2 1 2 1 2 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0; 1HNMR: 77 77 m 2H | 75 74 m 3H | 74 73 m 3H | 73 72 d 4H J 49 | 73 72 ddd 1H J 43 55 97 | 41 41 m 1H | 32 31 dd 1H J 56 151 | 29 28 dd 1H J 55 152 | 24 24 d 2H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COc2cccc(-c3cccc4cnccc34)c2)cc1
ir: 4 4 5 7 5 4 4 4 4 4 4 4 7 20 4 5 5 4 3 5 7 4 4 4 5 7 4 5 9 9 8 8 6 4 4 5 6 8 8 37 15 5 11 10 9 0 99 8 8 8 6 2 4 5 4 4 4 5 4 3 4 4 4 4 4 8 17 20 21 24 16 5 7 9 12 8 12 11 6 5 4 4 5 4 6 13 7 4 6 10 4 4 4 5 4 4 6 6 7 4 4 4 4 7 8 5 4 4 4 5 4 7 37 4 3 4 5 5 4 4 5 5 5 5 5 6 4 5 4 5 5 8 8 7 5 14 8 11 11 7 20 10 5 20 7 5 16 53 11 5 5 12 12 14 8 5 6 14 5 4 4 3 16 3 4 4 16 5 4 4 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 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 3 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 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 5 4 4 4 4 4 6 4 6 7 13 21 100 52 10 6 7 5 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 3 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 3 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 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 91 91 t 1H J 16 | 87 87 dd 1H J 15 46 | 82 82 d 1H J 78 | 80 79 dd 1H J 19 85 | 77 77 d 1H J 46 | 75 75 m 1H | 74 72 m 8H | 69 68 ddd 1H J 15 22 77 | 51 50 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CCN1C(=O)ON1C(=O)CCC1=O
ir: 12 10 7 5 2 11 2 2 4 3 3 5 3 3 7 3 2 2 3 2 4 4 2 4 2 2 5 9 16 3 4 3 2 3 2 2 1 1 1 1 2 1 1 1 1 2 3 2 6 14 36 9 13 2 25 8 5 5 3 5 3 3 7 5 1 4 14 11 13 3 2 4 11 29 4 0 4 1 5 8 14 9 5 15 6 5 8 18 5 2 2 3 1 2 2 3 11 7 4 4 6 2 12 2 3 3 1 2 2 1 1 3 4 8 2 9 7 7 18 39 19 14 7 3 5 2 5 5 5 19 10 2 2 1 1 2 3 1 1 1 2 1 0 2 4 1 2 12 4 2 54 31 31 100 30 6 1 2 1 0 0 2 2 7 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 2 4 4 4 6 2 2 2 1 3 7 27 6 7 24 30 11 4 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 ddt 1H J 9 48 101 | 67 66 dd 1H J 21 100 | 65 65 dd 1H J 21 121 | 43 42 qdd 1H J 29 57 83 | 39 38 dd 4H J 44 51 | 38 37 ddd 1H J 8 39 136 | 37 36 ddd 1H J 8 39 136 | 36 35 ddd 1H J 35 59 115 | 35 34 ddd 1H J 35 59 115 | 34 34 dd 4H J 43 52 | 31 29 m 3H | 28 28 s 3H | 26 25 dd 1H J 56 107 | 13 13 d 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(-c2ccn(-c3ccc(OC(F)(F)F)cc3)c2)cc1
ir: 1 2 2 4 3 5 4 4 3 1 2 2 3 3 4 4 4 3 2 1 2 7 4 2 1 1 1 2 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 2 2 1 2 3 4 5 2 12 95 32 11 3 4 3 6 4 1 1 1 1 0 1 4 2 2 2 3 3 3 1 1 1 1 0 1 3 1 0 1 2 6 5 3 2 9 2 2 1 4 1 3 11 16 12 8 4 1 6 1 1 2 85 2 3 1 1 3 4 3 5 3 2 2 2 2 2 4 2 6 2 8 4 2 2 1 1 1 1 1 1 1 1 1 1 3 4 12 17 5 4 6 2 3 9 15 5 13 1 1 1 1 6 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 2 1 1 4 7 22 4 28 100 25 7 6 3 2 1 2 3 8 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 100 s 1H | 78 78 m 2H | 77 77 m 2H | 75 75 dd 1H J 17 50 | 75 74 m 2H | 74 74 m 2H | 73 72 t 1H J 17 | 66 66 dd 1H J 17 50
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1OC2(CCCC2)OC1C(=O)OCC
ir: 19 16 16 14 18 25 13 21 58 28 16 17 16 12 12 12 10 12 12 13 15 18 19 11 16 12 11 11 18 25 19 13 11 13 13 11 11 10 10 11 11 11 11 13 12 12 12 12 12 12 12 13 12 14 18 10 15 14 11 10 10 12 17 18 13 27 11 13 27 15 27 18 23 18 18 28 22 37 12 12 11 11 10 11 21 12 12 12 26 11 11 10 12 14 12 12 17 13 20 18 10 11 15 18 56 23 26 23 14 15 16 18 25 60 18 16 19 18 17 14 14 48 35 23 24 60 11 21 20 26 20 13 12 10 10 10 11 11 10 10 10 13 16 0 100 93 27 15 11 9 9 11 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 10 9 9 9 10 9 9 10 10 9 9 10 10 9 9 10 10 9 10 11 11 10 11 13 11 11 13 14 14 26 17 12 15 16 48 29 14 43 44 15 11 10 10 10 10 10 10 11 10 10 10 10 9 9 10 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9; 1HNMR: 51 50 s 2H | 43 42 m 4H | 19 18 m 8H | 11 10 t 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1c(N)cccc1C(C)(C)C
ir: 8 5 2 4 5 5 5 6 4 4 3 3 5 3 2 2 1 2 2 2 2 3 4 3 4 1 3 1 1 2 2 1 2 1 2 1 1 2 2 2 4 5 2 1 2 2 3 9 8 2 2 2 2 1 1 1 1 2 1 1 2 3 1 1 2 2 2 2 2 2 2 9 8 1 1 1 1 2 7 12 8 2 2 1 2 1 1 1 1 4 5 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 2 2 3 2 3 2 1 1 1 1 1 3 4 2 2 2 2 2 2 5 5 1 1 3 7 9 4 5 6 4 2 6 9 15 5 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 2 3 2 3 4 3 5 15 7 4 2 2 6 3 1 1 1 1 1 1 1 1 1 2 1 2 17 5 1 1 1 1 1 1 2 2 2 8 100 19 5 2 0 0 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 m 1H | 69 68 m 2H | 66 66 dd 1H J 12 76 | 54 54 dd 1H J 21 164 | 52 52 dd 1H J 22 110 | 47 47 s 2H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cn1
ir: 6 3 2 5 4 3 3 3 4 3 2 3 6 8 3 3 3 2 2 5 3 4 5 3 2 4 10 4 4 2 3 5 6 10 4 3 5 11 4 4 4 3 3 4 3 5 6 54 38 22 6 1 11 23 10 4 4 4 4 4 6 4 4 2 4 4 10 5 9 14 9 8 4 3 9 6 6 10 11 4 2 5 4 3 4 8 11 10 14 6 6 4 4 3 9 4 12 7 4 3 6 5 4 4 4 6 6 4 2 5 5 5 3 4 6 6 3 4 6 9 5 8 8 7 4 6 6 4 10 4 4 2 2 4 5 2 24 9 3 4 3 2 2 2 3 8 9 22 18 6 5 3 4 3 3 30 23 4 3 9 15 36 100 14 4 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 4 4 5 3 5 6 7 6 13 5 3 11 7 13 4 4 3 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 4 3 5 12 23 18 5 5 4 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 96 96 s 1H | 84 84 s 1H | 84 83 dt 1H J 9 18 | 75 75 ddt 1H J 9 19 79 | 71 70 dd 1H J 8 78 | 48 47 p 1H J 35 | 39 38 m 3H | 38 37 dt 1H J 9 139 | 37 36 ddd 2H J 34 60 104 | 32 31 m 1H | 30 29 ddtd 2H J 22 40 60 81 | 28 28 dt 1H J 12 113 | 26 25 m 1H | 24 24 d 3H J 7 | 23 22 ddt 2H J 34 60 145 | 22 21 dqdd 1H J 18 36 66 83 | 21 20 ddt 2H J 34 62 145 | 10 10 d 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(O)cc(OS(=O)(=O)c2ccccc2S(C)(=O)=O)c1
ir: 1 2 2 3 2 4 4 3 2 4 4 7 5 3 2 2 2 1 1 0 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 2 0 2 2 1 3 21 23 8 2 1 1 1 1 1 1 0 1 1 1 0 2 2 1 0 1 2 2 3 2 33 8 19 12 8 6 1 2 1 1 0 1 2 1 6 2 6 13 46 100 34 3 18 5 1 1 2 1 1 3 2 1 1 0 0 1 1 2 1 1 1 4 5 1 1 0 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 2 4 1 0 0 1 1 0 0 1 1 2 4 2 0 0 0 1 1 0 1 2 6 4 2 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 2 6 3 5 11 16 10 3 2 1 1 2 2 12 5 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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: 82 81 ddd 2H J 17 81 109 | 77 76 m 2H | 76 76 s 1H | 67 66 tt 1H J 9 21 | 65 64 m 2H | 32 32 s 2H | 26 26 qt 2H J 8 72 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=N\O)c1cccc(Br)n1
ir: 38 28 41 17 23 33 14 14 10 5 8 7 5 6 8 4 7 5 10 6 3 6 2 4 3 4 6 5 2 4 4 3 2 6 3 2 1 2 2 0 2 3 2 0 15 54 100 18 5 3 2 3 2 1 1 2 2 1 1 2 2 1 3 8 11 6 5 4 13 7 2 5 2 4 5 10 44 8 5 8 8 21 9 4 3 3 2 3 2 2 3 2 2 2 2 4 4 6 11 12 16 10 6 3 3 3 2 2 1 1 1 1 1 2 2 2 3 3 2 2 2 2 2 2 1 4 3 3 2 6 10 35 10 11 15 60 21 2 1 1 2 1 1 2 1 2 2 3 2 1 1 1 2 3 10 3 6 8 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 2 4 6 4 5 23 20 7 2 2 2 3 2 2 14 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 77 76 dd 1H J 70 80 | 75 74 dd 1H J 11 71 | 73 73 dd 1H J 11 79 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(S(=O)(=O)c2cc(C)ccc2OC)cc2ccoc12
ir: 28 18 8 6 7 8 12 35 28 10 25 16 27 3 2 4 7 1 5 4 3 2 3 3 9 22 17 8 3 18 6 5 3 2 5 7 3 1 59 8 3 3 2 2 2 2 1 2 2 0 1 3 7 20 13 5 4 1 3 18 2 0 5 13 23 17 30 38 7 6 4 3 1 4 7 8 4 17 2 2 3 13 30 15 15 51 12 31 19 10 6 31 4 4 15 3 3 6 9 6 2 75 11 3 3 3 1 2 2 2 4 1 2 1 3 2 4 4 14 6 62 15 3 5 7 14 4 5 5 4 2 4 9 21 3 2 2 4 4 3 10 63 15 11 10 3 2 3 16 38 9 6 49 20 9 1 3 4 13 1 1 4 3 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 1 1 2 2 2 1 3 4 2 2 6 7 6 21 31 80 37 66 12 100 7 4 2 2 2 0 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0; 1HNMR: 84 84 t 1H J 22 | 84 83 d 1H J 20 | 78 78 d 1H J 16 | 77 77 m 1H | 71 71 m 1H | 70 70 m 2H | 39 38 s 3H | 37 37 s 3H | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CC(=O)N(Cc2ccccc2)C1
ir: 1 1 2 1 0 1 2 4 0 2 3 2 1 9 12 5 10 8 6 7 47 33 47 24 19 8 3 2 2 3 3 15 6 1 1 2 2 6 2 2 3 7 4 1 2 2 1 1 0 0 1 1 1 0 0 2 6 6 3 2 1 2 13 3 3 2 3 4 6 11 1 1 1 1 2 6 17 18 24 62 17 12 8 5 2 1 3 3 5 10 3 1 1 2 3 3 7 7 3 3 9 3 1 1 1 1 2 2 3 1 2 2 6 12 8 2 1 3 2 4 4 3 4 9 8 2 2 2 2 2 3 4 14 7 7 18 5 1 1 1 2 2 16 31 11 9 7 1 13 100 5 9 3 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 3 4 2 2 1 3 3 3 2 7 17 13 76 26 1 1 2 1 0 1 1 11 9 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 5H | 46 45 dt 1H J 9 124 | 45 44 dt 1H J 10 128 | 38 37 dd 1H J 43 115 | 36 35 dd 1H J 43 115 | 32 31 tt 1H J 43 59 | 27 26 dd 1H J 59 148 | 25 25 dd 1H J 58 149
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCc1csc2c(Br)csc12
ir: 0 1 1 1 1 2 1 1 0 0 1 0 0 3 2 1 0 0 0 0 1 1 1 0 0 2 1 0 0 0 0 0 0 0 1 4 2 8 4 2 8 12 4 3 2 1 1 1 1 2 10 7 2 3 2 5 5 16 41 20 3 1 1 2 1 2 9 0 0 1 0 2 2 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 0 1 1 13 4 9 12 100 21 21 12 4 5 4 1 6 24 12 15 17 14 20 10 16 7 6 8 3 10 3 3 1 1 1 1 1 0 0 1 0 0 1 1 1 2 9 1 9 4 4 1 2 4 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 0 0 0 1 0 0 0 1 1 1 1 3 2 2 6 7 14 2 12 6 7 5 3 5 3 11 39 10 4 5 8 46 38 39 16 8 5 2 7 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; 1HNMR: 73 72 s 1H | 71 71 d 1H J 10 | 27 27 td 2H J 9 75 | 16 16 p 2H J 73 | 14 12 m 21H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1scnc1C(=O)O
ir: 17 9 4 3 13 5 4 6 11 18 10 13 9 10 44 9 4 7 5 2 3 10 10 8 66 77 12 8 8 2 1 5 6 9 3 5 3 5 2 4 4 1 2 4 5 2 3 4 3 1 3 4 3 1 3 4 3 0 4 5 6 6 5 5 2 1 4 5 2 5 4 4 2 3 3 4 1 1 4 4 6 7 41 21 6 2 4 15 7 3 3 3 2 4 3 3 3 4 5 3 4 7 4 3 2 2 4 4 3 4 4 4 2 10 6 3 1 3 4 7 5 5 6 2 2 3 6 4 5 10 11 5 2 4 3 3 1 3 7 4 4 19 16 27 34 96 13 1 3 99 0 6 4 3 2 3 3 2 2 2 2 3 2 2 2 3 2 16 3 4 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 2 3 2 2 1 2 2 1 1 2 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 3 5 2 2 2 2 2 1 2 3 3 2 4 9 19 3 3 3 5 6 9 5 2 1 7 12 100 12 3 2 3 3 2 2 2 2 2 2 4 7 8 42 78 9 13 4 1 2 3 3 2 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 94 94 s 1H | 84 84 s 1H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2ccc(I)cc2c(=O)o1
ir: 7 4 46 13 16 5 2 4 19 5 3 7 6 2 1 4 5 2 1 5 5 2 1 5 5 6 3 4 4 1 1 5 5 5 2 5 4 2 13 6 17 4 11 6 4 0 2 6 3 0 2 6 3 2 24 9 13 0 4 6 5 0 4 8 5 1 3 6 10 9 6 11 4 2 4 5 2 1 6 7 3 8 12 5 2 1 4 4 2 11 6 5 3 2 5 4 1 2 6 6 2 2 5 4 1 3 5 4 1 27 6 6 20 17 6 4 1 10 16 7 2 4 7 4 2 28 18 8 25 41 16 3 2 4 4 5 6 4 4 5 100 69 2 2 3 7 7 16 33 3 4 24 28 65 34 10 5 5 3 1 3 7 48 4 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 5 2 3 5 4 2 3 5 4 2 4 6 6 7 6 9 13 17 44 42 49 20 12 12 3 2 4 5 4 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 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; 1HNMR: 82 82 d 1H J 21 | 78 78 dd 1H J 22 82 | 74 74 d 1H J 82 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=NC2=C3C=NC(C)(C)C(=O)C3CC(=O)C2=N1
ir: 8 16 20 30 0 3 4 15 18 4 12 7 2 42 45 11 9 10 9 5 4 2 3 2 10 13 4 4 2 3 2 0 1 7 15 8 10 3 7 6 3 3 1 2 4 14 27 3 2 3 2 0 2 3 5 5 1 4 2 0 7 6 4 4 4 3 2 2 4 5 6 1 4 5 2 2 3 4 11 8 6 8 7 1 3 2 1 1 2 2 3 2 17 10 6 5 3 2 2 3 4 17 35 6 5 3 2 2 5 19 1 2 14 20 15 21 7 7 10 19 7 10 1 3 5 4 1 9 31 12 6 8 6 6 47 37 31 100 2 27 0 3 2 6 21 7 2 5 17 3 1 15 11 1 1 2 1 0 1 2 2 7 3 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 3 4 3 2 4 4 2 5 6 3 6 8 10 26 37 37 11 6 1 2 3 2 3 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 86 85 d 1H J 18 | 44 43 td 1H J 18 49 | 28 27 dd 1H J 49 145 | 26 26 s 3H | 26 25 dd 1H J 49 145 | 15 15 s 3H | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC[C@H]1COc1cncc(-c2cccnc2)c1
ir: 2 3 5 12 4 3 7 2 4 4 10 3 1 3 2 3 2 2 2 1 1 1 1 1 11 5 4 64 15 1 4 9 10 57 16 2 7 2 1 1 12 4 2 2 2 3 1 1 1 0 1 1 5 9 4 8 5 3 10 3 2 1 21 30 13 5 8 17 27 25 19 7 5 12 13 5 3 4 10 8 24 100 12 3 4 3 4 3 4 30 2 2 10 18 2 4 4 3 1 1 2 2 3 8 10 4 2 2 4 5 5 11 56 46 24 8 10 17 8 6 11 4 8 2 7 11 6 3 1 7 15 2 1 3 2 1 0 3 4 28 19 3 1 1 1 2 2 2 4 3 7 38 13 6 5 29 23 5 3 4 3 2 1 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 2 1 2 5 2 2 1 4 3 0 2 7 7 33 37 31 56 11 5 2 3 2 1 1 1 1 1 1 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 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0; 1HNMR: 89 88 d 1H J 19 | 87 86 dd 1H J 17 48 | 86 86 t 1H J 16 | 81 81 m 2H | 74 73 m 2H | 43 42 dd 1H J 53 108 | 41 40 dd 1H J 54 109 | 32 31 m 1H | 29 28 m 1H | 27 27 m 1H | 23 23 d 3H J 15 | 20 19 ddt 1H J 44 62 110 | 19 18 ddddt 1H J 18 31 48 65 128 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(SC)C1OC(=O)C2C1C2(C)C
ir: 37 17 45 10 20 25 9 8 55 39 7 11 14 11 41 6 3 3 3 2 3 2 4 5 3 2 3 3 12 9 5 5 5 10 24 7 4 3 3 4 22 26 4 24 24 32 5 4 11 13 3 2 3 7 8 4 3 18 12 8 3 3 3 7 17 6 8 16 13 19 16 6 5 14 13 5 52 9 3 4 2 2 2 2 2 2 2 2 2 3 4 9 23 8 8 14 7 5 5 11 37 13 16 7 5 5 3 6 10 25 100 8 4 18 17 18 58 71 16 13 3 6 11 15 20 12 15 8 6 14 10 4 3 4 22 7 8 79 0 10 5 8 6 52 49 2 5 9 8 17 93 27 6 0 1 7 57 21 4 3 3 1 2 3 2 1 2 2 2 1 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 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 3 2 2 2 4 3 3 4 5 8 4 4 4 4 3 4 7 12 19 31 17 5 29 29 24 36 9 4 7 4 3 2 3 2 1 3 3 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 53 52 dd 1H J 59 73 | 42 41 p 2H J 62 | 39 38 dq 1H J 16 73 | 24 23 ddddd 2H J 15 31 59 75 120 | 22 22 d 3H J 16 | 12 11 t 3H J 15 | 11 11 t 3H J 15 | 10 9 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1CCc2[nH]c3ccc(NC(=O)c4ccc(I)cc4)cc3c2C1
ir: 2 1 3 1 3 3 2 12 3 2 4 3 3 2 2 1 1 9 6 15 3 5 3 2 2 2 2 24 4 2 15 4 4 2 2 7 2 2 2 3 16 88 17 6 4 3 2 1 6 6 3 1 3 8 8 97 4 4 2 2 1 1 1 1 2 2 9 12 16 13 2 3 2 2 1 1 2 5 4 3 2 1 1 2 2 3 5 3 6 21 1 8 2 3 6 6 4 4 9 2 1 4 2 3 100 4 4 12 3 2 6 6 7 5 1 3 7 1 2 4 2 2 3 6 8 4 9 4 2 1 2 2 8 1 1 1 3 7 1 2 2 10 67 6 24 8 4 23 14 12 22 4 3 0 4 46 2 6 4 0 1 2 4 1 32 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 1 1 1 2 3 2 5 8 6 21 70 5 7 11 2 6 3 2 1 2 2 1 1 1 3 1 1 4 9 7 2 3 5 6 82 30 35 24 7 11 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 s 1H | 78 77 m 5H | 75 75 dd 1H J 21 72 | 72 72 d 1H J 73 | 31 29 m 3H | 29 28 ddd 1H J 44 70 145 | 27 26 m 1H | 23 23 d 6H J 14 | 22 21 m 1H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc(C(F)(F)F)ccc1Cl
ir: 2 1 1 1 2 1 2 3 2 1 1 2 3 1 1 4 3 5 5 11 8 32 4 2 2 1 1 1 1 1 1 3 4 1 1 2 1 1 1 2 2 3 7 2 1 1 1 1 1 1 1 2 1 1 4 6 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 2 1 1 1 2 1 1 2 2 1 4 3 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 3 7 2 2 1 2 3 4 2 1 1 2 1 0 13 9 2 1 1 2 1 1 1 1 2 5 3 1 2 2 2 2 1 1 2 7 3 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 4 2 1 2 3 3 2 100 54 3 4 6 4 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 19 46 6 3 2 2 1 1 1 1 1 1 1 1 1 1 1 0 27 40 2 3 1 1 1 2 1 1 1 1 2 9 39 8 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 81 dt 1H J 12 25 | 77 76 ddq 1H J 13 25 73 | 76 75 d 1H J 75 | 70 70 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCC1CCN(c2ccc3cc(Cl)ccc3n2)CC1
ir: 10 4 15 13 0 2 3 6 3 2 4 1 1 7 3 8 5 2 7 2 1 2 2 1 0 2 3 14 2 3 6 2 3 6 2 3 2 3 3 4 1 3 3 0 9 11 28 8 2 4 2 2 13 33 10 33 97 7 8 10 5 0 2 7 6 2 21 42 19 0 10 4 2 3 7 4 3 3 4 4 1 2 3 9 18 9 20 9 18 34 59 43 27 11 3 6 8 6 7 4 9 4 2 6 2 13 10 24 8 5 10 8 7 11 3 2 2 3 4 4 3 8 7 7 3 5 3 2 3 6 2 4 4 5 2 3 7 6 11 22 14 6 2 2 18 6 8 20 5 13 100 1 3 6 6 20 17 61 7 5 2 3 1 1 1 1 6 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 1 5 5 4 4 3 4 5 3 4 5 24 14 15 41 42 7 5 8 4 2 15 28 4 4 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dd 1H J 21 74 | 78 78 m 2H | 75 74 dd 1H J 21 83 | 70 70 d 1H J 75 | 38 37 ddd 2H J 60 88 139 | 36 36 q 2H J 57 | 33 32 ddd 2H J 60 88 139 | 23 22 m 1H | 21 20 dddd 2H J 52 61 88 123 | 18 17 dddd 2H J 52 61 88 123 | 16 15 ddq 1H J 51 63 76 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.