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CC1(c2csc(C3OCCO3)c2)c2cc(Cl)ccc2CCN1Cc1ccccc1
ir: 3 4 4 3 2 4 11 13 4 3 8 7 2 3 5 4 4 3 9 2 3 8 18 5 8 3 4 4 2 4 7 3 5 3 7 3 6 4 22 28 34 4 8 9 5 8 6 4 2 2 3 5 41 15 2 5 6 6 5 42 10 6 6 3 3 3 4 5 14 7 3 4 10 15 23 6 12 24 11 5 9 6 10 6 4 7 10 5 12 25 9 11 6 6 8 20 22 4 3 3 1 6 6 2 3 6 12 4 6 4 5 5 0 48 13 15 7 8 8 6 14 16 7 6 8 5 3 4 19 7 6 5 4 12 28 18 4 5 3 3 2 7 27 60 16 11 6 3 2 5 6 5 28 8 10 3 3 5 3 4 1 2 4 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 2 2 3 2 3 2 2 4 5 4 3 3 3 4 4 11 20 39 13 51 100 44 21 10 8 7 5 3 2 3 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 2H | 73 73 s 3H | 72 71 m 1H | 72 71 s 1H | 71 70 m 2H | 69 69 d 1H J 16 | 59 58 d 1H J 7 | 40 39 m 3H | 39 38 m 2H | 38 38 d 1H J 127 | 32 31 ddd 1H J 32 58 125 | 30 29 ddd 1H J 32 59 125 | 29 29 dddd 1H J 8 33 59 138 | 28 28 dddd 1H J 7 31 57 137 | 16 16 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](C=CCOCc1ccccc1)NC(=O)C(F)(F)F
ir: 6 4 0 2 1 3 2 2 4 4 2 1 0 2 2 1 1 6 23 3 1 2 3 1 2 6 5 2 4 7 12 14 10 5 11 47 47 73 100 20 28 12 15 11 12 5 2 1 2 2 2 3 4 6 2 1 4 5 4 0 5 4 3 18 11 8 4 7 12 9 11 9 19 16 13 11 5 6 7 6 9 13 10 6 5 3 1 3 11 10 2 1 2 2 1 2 6 6 30 14 3 2 1 1 1 2 2 4 7 4 5 7 44 13 2 4 3 6 8 9 18 4 4 3 3 3 1 5 3 2 2 2 1 1 11 18 11 8 21 6 3 14 18 27 23 63 84 12 5 1 2 5 3 3 2 1 5 16 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 2 1 2 4 2 1 6 15 25 15 72 85 66 38 8 0 3 6 2 1 3 3 1 1 3 3 4 1 1 3 1 1 4 9 18 84 38 4 4 3 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 72 m 5H | 69 69 dq 1H J 16 110 | 57 56 dtd 1H J 8 37 154 | 56 56 m 1H | 46 45 m 1H | 45 45 d 2H J 10 | 42 41 m 2H | 14 13 dd 3H J 9 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC(=O)[C@@H](O)c1cccc(Cl)c1
ir: 14 14 12 8 4 5 2 2 2 2 3 1 2 1 2 2 2 2 1 1 0 1 1 1 2 3 6 4 1 2 3 2 6 4 3 2 2 1 0 0 1 1 2 1 1 4 14 12 9 6 2 1 1 1 1 1 1 2 2 4 1 2 1 0 1 3 5 4 4 4 3 2 2 2 1 1 1 2 1 1 2 3 1 3 19 20 36 100 17 5 6 2 1 3 7 5 2 1 5 12 10 11 1 1 1 1 0 2 5 4 2 1 1 4 16 7 8 5 5 9 2 3 2 2 4 5 4 6 4 1 1 1 1 1 1 0 1 1 2 10 17 5 2 1 2 19 20 6 1 0 1 2 2 5 6 12 2 0 1 2 4 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 5 2 8 7 7 14 19 17 1 2 3 2 2 11 23 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 3H | 74 73 m 1H | 51 51 dd 1H J 8 61 | 42 41 m 2H | 37 37 d 1H J 60 | 18 17 qt 2H J 55 80 | 10 9 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(OCC)C(CC(=O)O)c1ccc(OC)c(OCC(C)C)c1
ir: 1 1 0 1 3 2 4 6 11 5 3 7 4 7 5 4 3 14 8 8 58 79 7 13 12 3 4 6 2 1 1 1 1 1 1 2 3 1 2 2 3 2 1 1 1 1 1 2 3 4 2 3 1 3 4 14 10 4 2 5 2 2 4 4 4 2 2 2 2 4 7 2 11 11 7 16 16 34 27 51 11 5 20 4 3 4 4 3 4 6 7 8 2 2 3 4 5 2 3 12 4 5 4 2 1 2 3 5 3 5 6 11 4 9 7 5 3 7 7 7 4 5 8 3 2 4 3 4 5 5 4 3 3 4 3 3 1 3 2 1 4 4 10 53 11 0 1 3 3 4 9 1 2 1 3 1 1 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 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 2 2 2 2 1 2 1 4 2 4 2 6 6 7 3 4 20 14 16 35 8 5 5 3 3 1 1 1 70 100 5 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 1 0 0 0 1 0 0; 1HNMR: 69 69 m 1H | 68 68 d 1H J 83 | 68 67 m 1H | 50 49 d 1H J 70 | 39 38 m 5H | 38 37 m 1H | 37 36 dq 2H J 71 97 | 36 35 dq 2H J 71 97 | 29 28 dd 1H J 93 168 | 27 26 dd 1H J 93 168 | 20 19 dtt 1H J 50 72 144 | 12 12 t 6H J 71 | 10 10 d 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
ir: 7 10 7 12 9 22 8 6 11 6 36 46 13 8 5 7 1 3 3 1 1 2 6 4 6 10 39 6 4 5 5 5 5 10 12 13 4 36 22 18 21 35 77 17 13 35 7 1 11 9 43 68 23 26 25 9 33 8 9 5 12 22 5 5 4 3 21 26 6 22 7 4 1 3 19 15 5 3 72 11 7 11 23 36 11 45 72 45 24 6 8 3 15 10 4 2 3 13 9 10 6 5 4 11 22 1 1 6 2 1 0 3 8 24 17 25 6 6 9 10 8 43 20 24 9 19 3 6 4 12 7 16 41 3 9 11 5 1 1 2 2 2 3 2 8 17 10 8 10 15 19 10 20 8 2 1 1 11 4 0 0 1 3 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 1 1 2 2 3 1 3 1 0 1 6 10 8 42 100 38 31 7 4 5 4 2 1 1 2 1 1 1 1 1 2 3 9 54 59 61 9 8 2 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 22 | 81 81 d 1H J 90 | 79 79 m 1H | 79 78 m 2H | 77 76 m 2H | 76 75 m 2H | 74 74 dt 2H J 9 86 | 41 40 dt 2H J 9 52 | 38 38 m 4H | 36 35 h 1H J 51 | 34 34 m 4H | 25 25 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)OCc1ccccc1
ir: 7 4 6 3 5 2 2 2 4 3 4 3 1 1 2 1 3 3 1 3 2 1 0 2 2 4 7 12 5 3 4 26 20 6 5 3 3 3 4 4 15 4 2 3 2 1 1 1 2 1 1 1 1 2 2 1 3 4 2 1 2 3 2 2 1 2 2 4 2 4 7 1 1 3 2 1 1 3 1 0 1 1 0 1 1 1 0 1 3 6 2 1 1 1 1 2 6 5 6 7 1 1 2 2 1 2 9 7 6 3 7 5 4 2 1 2 1 3 6 14 8 7 3 4 2 3 9 8 8 8 7 8 2 2 5 7 2 3 6 4 3 11 67 25 10 16 4 2 2 100 6 10 4 1 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 2 1 2 2 4 2 3 2 2 2 3 5 12 29 17 9 20 9 4 3 2 1 1 3 1 1 2 1 1 0 1 1 1 0 1 1 1 1 2 3 18 9 2 1 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 74 73 m 4H | 73 73 m 1H | 56 55 d 1H J 88 | 52 52 d 1H J 119 | 52 51 d 1H J 119 | 43 43 dt 1H J 77 88 | 20 19 dt 1H J 78 139 | 18 16 m 2H | 15 13 m 8H | 14 14 s 9H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1ccc(C2=CCC(C(C)(C)C)CC2)cc1
ir: 5 5 5 3 7 3 5 3 2 4 3 4 2 5 3 4 3 2 1 2 2 1 2 1 11 8 9 8 5 2 0 1 1 1 2 4 3 1 2 1 1 1 1 1 1 3 5 3 3 2 5 3 14 6 4 9 36 6 6 6 4 6 18 14 4 3 5 5 3 3 2 1 2 8 7 8 3 1 1 2 1 0 1 0 1 1 1 6 4 1 3 3 3 2 1 2 3 4 4 3 6 6 16 8 3 2 2 1 1 4 7 4 13 23 19 20 21 7 15 18 25 4 8 9 6 8 8 9 19 7 11 7 8 5 3 2 2 2 1 2 2 1 9 7 100 21 18 66 13 7 3 2 16 4 3 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 5 2 1 3 6 16 9 4 4 3 8 12 17 22 24 34 48 84 24 5 6 7 3 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 2H J 82 | 72 72 d 2H J 82 | 61 60 td 1H J 17 55 | 42 41 q 2H J 66 | 36 36 s 2H | 28 27 ddd 1H J 58 84 143 | 27 26 ddd 1H J 57 85 142 | 23 22 ddd 1H J 55 75 152 | 20 19 ddd 1H J 56 76 152 | 19 18 dddd 1H J 58 75 86 124 | 16 15 dddd 1H J 57 75 83 124 | 15 14 pd 1H J 17 75 | 13 12 m 3H | 9 8 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(NC(=O)NS(=O)(=O)c3cc(C)c(CCOC(C)=O)s3)sc2n1
ir: 5 2 2 3 2 7 23 5 3 4 3 4 4 3 1 4 2 3 5 7 5 3 4 7 8 3 9 2 3 2 5 4 1 2 3 1 0 4 2 9 5 3 1 2 2 4 15 16 36 12 9 2 6 7 25 4 3 3 2 1 7 4 3 2 10 11 6 6 6 4 3 1 3 2 1 2 2 1 1 1 2 7 5 7 2 2 16 6 6 4 18 2 0 1 1 1 1 2 1 1 2 8 2 2 1 1 0 1 1 2 2 3 4 17 3 4 3 2 1 3 3 5 1 6 4 4 1 3 2 3 3 2 2 1 5 8 26 18 5 3 2 3 2 1 14 4 1 1 2 2 49 11 100 12 2 0 1 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 2 1 2 1 1 2 3 4 2 5 9 12 3 8 3 1 1 1 0 0 1 0 1 1 2 1 1 1 2 3 3 5 8 17 28 20 12 3 3 5 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 s 1H | 83 83 s 1H | 77 77 d 1H J 75 | 71 71 s 1H | 67 67 d 1H J 75 | 43 43 t 2H J 55 | 39 38 s 3H | 31 30 t 2H J 55 | 24 23 s 3H | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2nc3ccc(Cl)cc3c3conc23)CC1
ir: 3 2 1 5 3 6 10 5 1 2 5 19 9 1 1 4 2 1 1 2 2 1 1 2 27 13 3 2 9 4 3 2 1 1 1 1 7 7 2 1 2 4 7 7 3 1 2 3 4 2 2 1 1 2 3 7 61 11 3 3 1 2 1 14 6 1 4 5 5 1 1 1 3 5 3 3 4 3 6 25 33 17 4 7 14 3 16 4 1 2 3 4 1 1 2 3 6 15 9 9 11 4 7 4 5 3 2 1 3 17 9 1 2 3 6 6 11 13 7 8 4 4 1 2 11 10 13 2 3 4 6 8 8 2 4 5 8 1 1 1 1 1 1 0 1 2 4 10 2 11 100 4 3 3 14 12 2 2 30 7 1 1 1 1 1 1 15 0 1 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 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 2 2 3 7 7 35 8 6 26 6 2 2 1 0 1 1 1 1 1 1 1 0 0 0 0 0 1 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 92 91 s 1H | 82 82 d 1H J 26 | 79 79 d 1H J 82 | 76 76 dd 1H J 25 82 | 37 37 m 4H | 29 29 s 2H | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Oc2ccncc2C(n2ccnc2-c2ccc(Cl)cc2)C1O
ir: 1 1 2 7 2 1 1 2 2 1 1 1 1 3 1 1 4 1 2 2 1 2 6 2 1 1 1 1 1 1 3 1 1 1 7 2 1 1 1 1 1 2 1 1 4 1 5 4 1 1 1 1 2 1 1 14 2 3 1 1 2 1 1 0 1 1 1 1 2 2 4 1 2 4 3 1 1 1 1 1 1 1 1 1 3 5 4 1 5 15 18 6 2 2 3 3 2 2 3 1 2 1 1 1 2 1 1 1 1 1 1 1 5 2 1 1 2 2 1 2 1 2 1 1 2 4 3 3 2 3 6 2 2 3 7 2 1 1 15 2 1 1 1 3 2 2 1 2 23 4 1 1 3 6 1 1 1 1 1 2 28 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 6 1 5 14 11 4 12 8 6 2 12 100 5 3 1 0 2 2 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 86 85 dd 1H J 14 45 | 85 85 t 1H J 10 | 78 78 m 2H | 75 74 m 2H | 74 74 d 1H J 42 | 73 73 dd 1H J 7 44 | 70 69 d 1H J 44 | 63 62 m 1H | 45 44 tp 1H J 15 57 | 37 37 d 1H J 57 | 14 14 d 3H J 15 | 14 13 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4C)C1
ir: 2 1 1 1 3 1 1 0 1 3 2 5 19 4 15 7 3 6 14 9 19 43 48 8 2 3 5 2 3 2 3 4 4 1 1 2 1 1 1 2 3 3 4 16 11 5 8 9 13 61 8 4 2 1 2 3 1 1 3 13 2 4 4 6 1 3 5 4 4 3 2 2 3 9 13 11 33 58 6 6 2 2 0 3 1 1 2 3 4 6 5 4 5 12 5 3 2 1 1 2 3 7 4 2 5 11 4 13 14 3 4 11 8 13 4 5 3 5 7 9 7 4 15 14 9 3 5 10 8 3 2 1 1 5 4 25 7 6 2 2 15 2 1 1 2 6 1 0 1 4 4 51 2 2 28 9 1 1 1 1 1 10 7 6 1 1 0 1 0 0 0 0 0 0 1 0 1 1 1 1 1 0 1 0 0 1 0 1 1 1 0 0 1 0 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 1 1 1 0 0 1 1 0 0 1 1 1 1 0 0 0 1 1 1 1 1 0 0 0 0 1 0 1 1 1 0 0 1 1 1 1 0 0 0 0 1 0 1 1 1 0 1 0 1 1 1 0 1 1 1 2 1 1 2 1 2 2 2 2 2 1 1 2 5 12 4 2 10 6 6 6 5 3 2 1 1 100 94 4 3 1 1 1 1 2 6 48 31 10 1 2 1 0 0 1 1 0 0 2 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 0 1 0 0 0 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 1 0 0 1 0 0; 1HNMR: 87 86 d 1H J 18 | 78 77 d 1H J 121 | 44 43 dd 1H J 51 99 | 43 42 qtd 1H J 18 51 72 | 41 40 dd 1H J 51 99 | 38 38 ddd 1H J 10 32 117 | 36 36 ddd 1H J 9 25 123 | 36 35 m 1H | 34 34 m 1H | 28 28 ddd 1H J 40 61 123 | 26 25 m 2H | 24 24 d 3H J 51 | 20 19 m 2H | 17 17 m 1H | 13 12 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1
ir: 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 2 2 2 2 1 1 2 4 3 4 2 2 1 1 1 1 1 1 2 2 1 1 1 2 2 1 2 4 14 15 8 4 3 2 2 1 0 1 3 2 9 6 2 3 1 1 1 2 3 3 3 1 0 1 2 1 2 2 1 2 1 2 2 1 1 14 8 1 1 1 1 1 1 4 42 5 3 1 2 6 1 1 1 1 1 2 4 2 2 2 1 1 1 1 2 5 1 3 1 1 2 1 11 5 2 3 3 2 1 2 1 1 1 1 1 1 2 1 1 1 2 4 2 1 1 1 1 1 2 2 1 1 1 6 2 1 1 2 5 7 2 2 1 1 0 2 1 1 1 8 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 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 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 1 1 1 1 0 1 1 1 2 1 4 3 16 2 6 2 0 1 4 1 100 3 2 2 2 0 0 1 2 1 2 28 10 4 3 1 2 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0; 1HNMR: 91 91 s 1H | 81 80 d 1H J 100 | 72 72 m 1H | 72 71 dt 2H J 8 72 | 70 70 d 1H J 86 | 69 68 m 2H | 60 60 d 1H J 99 | 53 53 t 1H J 69 | 51 50 m 1H | 39 39 d 1H J 44 | 38 38 s 2H | 32 31 ddd 1H J 40 69 132 | 30 29 m 2H | 30 29 s 2H | 12 12 d 6H J 95
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)C(Cc1ccc(Cl)cn1)c1cccc(Br)c1
ir: 2 2 3 6 8 5 1 1 2 2 2 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 2 1 1 2 4 3 5 6 2 4 8 1 1 1 1 0 0 1 1 1 7 3 5 2 2 8 22 22 5 2 3 1 1 1 0 1 1 2 1 3 4 5 3 3 1 1 2 2 4 4 3 2 2 4 5 4 3 3 5 44 10 10 33 19 13 4 3 3 3 7 6 3 3 2 2 2 1 3 2 3 5 5 3 1 1 2 2 2 0 2 1 2 24 3 4 4 3 2 2 1 1 3 2 1 3 2 4 3 2 2 2 2 11 15 22 3 1 1 1 0 1 8 8 5 2 1 1 2 7 1 1 2 9 15 2 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 2 1 3 2 2 2 2 1 3 2 2 2 0 2 4 3 4 14 5 36 52 16 14 7 1 5 3 23 100 10 6 2 5 2 1 3 1 3 2 1 1 2 1 2 1 1 1 1 1 1 1 0 2 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 19 | 75 75 dd 1H J 20 79 | 74 73 m 2H | 73 72 m 3H | 41 40 dqd 1H J 50 63 71 | 33 32 m 1H | 32 32 m 1H | 30 30 ddd 1H J 9 82 145 | 29 29 d 1H J 51 | 12 12 dd 3H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCSc1ncc(C(=O)O)c(N(C)C)n1
ir: 2 1 0 0 1 1 1 1 3 4 2 1 1 1 1 1 4 1 2 4 1 9 22 28 11 3 4 2 1 1 1 0 0 1 2 1 2 4 4 8 16 2 1 1 1 1 1 0 1 2 1 1 0 0 1 1 1 0 1 0 1 4 1 0 1 1 0 2 1 1 1 1 1 2 3 1 1 4 7 4 1 2 1 1 0 1 1 1 1 4 13 3 1 1 1 0 0 0 0 0 0 0 0 1 2 1 0 1 1 1 1 1 5 2 2 1 2 1 1 2 1 1 0 0 0 1 3 4 1 0 1 1 1 22 2 1 0 0 1 1 2 12 2 2 61 3 1 3 11 100 11 2 2 2 1 0 1 1 1 2 19 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 32 32 s 5H | 32 31 t 2H J 62 | 19 18 dtd 2H J 61 70 131 | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCCNCc1ccc(Cl)nc1
ir: 1 6 11 12 22 11 5 2 1 1 3 9 0 15 3 2 0 2 2 0 0 2 4 0 0 7 3 25 4 6 5 9 28 74 24 16 26 9 8 21 11 24 17 44 61 99 58 41 33 13 28 52 69 95 38 39 11 10 4 15 5 8 15 71 14 48 19 5 21 20 9 5 19 9 13 1 4 5 2 2 4 4 3 2 4 2 1 4 8 5 2 3 3 4 9 21 10 5 5 3 10 16 21 42 16 25 9 3 15 21 85 60 100 28 14 10 9 13 15 29 26 65 15 23 9 5 4 2 3 8 29 68 74 39 42 27 14 9 1 2 4 1 1 3 4 3 6 23 21 17 10 5 9 4 3 2 2 1 4 14 11 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 3 3 2 1 2 5 3 2 4 4 1 2 4 3 10 8 11 12 30 34 31 31 18 5 3 3 2 3 2 1 2 3 2 2 4 7 12 95 64 44 83 24 2 2 6 2 1 1 2 1 0 1 2 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 0 0 1 1 0 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: 85 84 dt 1H J 8 18 | 76 75 ddt 1H J 7 17 77 | 73 72 d 1H J 77 | 41 40 dt 2H J 9 62 | 29 28 q 2H J 43 | 26 26 t 2H J 44 | 23 23 tt 1H J 42 60 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(C(N)=S)ccc1OCc1ccccc1
ir: 1 2 1 1 2 3 2 1 1 3 5 2 3 4 1 2 1 1 1 1 3 2 6 6 9 22 47 28 7 6 4 4 1 1 2 4 5 4 7 17 10 5 2 1 1 2 1 1 1 1 1 1 3 6 12 3 2 7 0 1 1 1 2 2 4 3 3 4 2 3 1 1 1 1 1 1 1 2 2 2 2 1 2 1 2 2 1 2 6 4 1 1 1 1 1 1 3 6 2 1 1 1 5 2 0 1 1 8 3 1 2 1 2 1 2 2 2 8 7 23 3 3 3 1 1 1 1 1 2 4 1 1 1 2 4 15 7 2 1 1 1 2 7 59 8 1 2 1 2 3 4 6 5 6 4 9 12 100 21 4 3 3 2 2 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 2 1 1 1 0 0 2 2 2 4 9 5 17 39 25 9 4 2 1 2 1 0 1 1 0 0 1 1 1 3 9 58 4 2 2 3 1 0 0 1 2 2 13 48 16 7 18 5 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 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: 76 75 dd 1H J 20 92 | 74 73 m 4H | 74 73 s 2H | 73 73 m 1H | 73 72 dt 1H J 9 20 | 68 68 d 1H J 92 | 51 50 t 2H J 9 | 27 26 td 2H J 8 64 | 17 16 qt 2H J 64 75 | 10 9 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CCC2)[nH]c(=O)c1CN
ir: 4 2 0 1 3 2 0 2 3 1 2 2 2 1 0 2 3 1 1 2 5 3 2 6 5 4 3 2 2 1 1 2 2 0 1 4 4 2 2 3 2 1 3 3 2 0 3 9 46 94 9 7 5 2 2 2 2 2 3 11 8 8 6 4 3 2 4 15 7 4 21 35 17 9 15 8 17 22 9 6 4 2 6 6 3 1 2 2 3 2 2 2 1 1 2 2 1 4 6 6 2 4 11 13 6 6 6 4 1 2 2 2 0 1 2 1 1 2 4 5 1 3 3 3 3 4 8 5 2 5 16 28 30 15 4 6 5 9 5 6 2 2 1 3 4 11 5 2 1 1 1 1 1 1 1 1 1 2 14 18 26 100 9 3 2 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 2 1 2 2 2 2 2 5 2 2 2 4 3 2 3 3 3 7 5 2 2 1 2 2 2 1 3 2 7 16 9 9 6 2 4 10 9 80 53 14 15 22 10 4 2 3 2 2 1 1 2 1 1 1 2 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 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; 1HNMR: 92 92 s 1H | 57 57 dq 1H J 10 19 | 39 38 m 4H | 29 28 pd 1H J 18 51 | 21 21 d 3H J 11 | 20 19 m 2H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCSC=CCO
ir: 7 5 3 5 5 4 1 2 5 3 3 3 5 1 5 2 3 1 1 2 3 3 1 3 2 1 2 2 3 1 2 3 6 3 4 7 12 23 10 10 6 4 3 6 4 5 5 2 3 3 3 4 5 5 4 4 2 1 3 4 2 2 4 3 5 1 2 3 2 3 6 5 2 3 2 4 3 1 6 4 5 8 13 14 52 75 100 47 33 22 25 24 14 8 5 5 4 4 4 2 1 3 3 2 2 7 4 7 4 8 5 5 9 9 4 5 12 12 12 13 3 5 3 2 0 2 3 1 0 2 3 1 1 10 21 8 4 2 1 1 1 1 1 1 1 2 2 1 1 1 2 3 3 6 2 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 3 4 4 5 3 3 2 3 2 3 2 15 26 11 18 12 3 0 3 3 1 1 2 7 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 62 61 dp 1H J 11 144 | 59 58 dt 1H J 38 145 | 43 42 ddd 2H J 13 38 54 | 36 36 t 1H J 56 | 27 27 td 2H J 9 65 | 16 15 p 2H J 63 | 14 12 m 6H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)(CO)c1cccc(Br)c1
ir: 2 3 1 1 2 1 2 2 0 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 0 1 1 0 1 1 2 10 12 9 1 1 1 1 0 1 1 0 1 4 3 10 31 36 19 6 2 1 1 3 2 2 5 6 18 8 25 9 11 15 10 12 11 18 9 6 2 4 5 3 1 3 7 7 4 2 3 6 7 6 4 11 25 36 100 35 9 12 8 6 6 5 2 3 1 5 2 4 1 1 1 1 0 0 1 1 0 1 2 2 5 10 5 2 2 3 3 2 2 4 3 4 5 9 15 6 9 6 14 27 75 5 3 2 1 10 4 5 1 2 1 1 0 1 1 0 1 1 2 2 5 2 1 0 0 1 1 2 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 2 1 1 1 1 2 2 4 4 6 12 24 18 8 1 2 2 1 4 7 3 2 2 3 11 15 18 15 7 6 3 2 3 10 27 3 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H | 73 72 m 2H | 43 42 dd 1H J 59 124 | 40 39 dd 1H J 59 124 | 32 31 s 2H | 28 27 t 1H J 59 | 16 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2CC(C)c3ccccc32)cc1O
ir: 2 2 1 3 12 17 12 12 14 12 5 2 3 2 2 2 2 1 4 3 1 2 1 1 1 1 2 2 1 1 1 1 2 3 1 1 1 1 2 0 1 4 5 2 1 1 1 1 1 1 3 1 1 3 6 6 1 2 1 2 2 1 1 1 2 2 7 2 5 7 15 5 2 2 2 5 3 15 13 6 6 4 4 3 3 4 7 5 4 3 1 2 4 4 13 6 3 2 1 4 4 8 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 1 2 2 3 3 2 1 1 1 0 1 2 1 1 1 1 7 10 1 1 2 5 6 17 3 1 2 1 13 12 9 1 9 5 1 1 1 1 2 4 1 1 0 0 1 0 1 1 0 0 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 1 1 1 1 1 1 1 1 1 1 0 2 3 2 2 3 10 23 37 14 7 3 3 5 5 5 100 52 3 3 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H | 69 68 m 2H | 68 67 m 2H | 67 66 dd 1H J 14 77 | 59 59 s 1H | 46 45 m 2H | 39 39 dd 1H J 37 112 | 38 38 s 2H | 37 36 dd 1H J 37 112 | 30 30 qtd 1H J 7 37 63 | 13 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C
ir: 20 3 2 1 5 3 2 15 5 4 14 7 13 4 2 3 4 2 2 2 2 2 3 5 2 0 0 1 3 0 1 2 2 0 1 3 2 1 7 33 16 4 1 2 1 5 4 6 11 4 3 4 5 14 92 14 29 7 14 11 7 5 8 27 13 15 26 18 15 32 18 16 8 4 4 4 9 3 2 4 1 3 7 3 6 57 12 6 9 3 2 3 13 10 14 5 2 6 11 7 15 39 5 3 1 2 4 2 1 9 2 6 8 4 5 6 4 7 23 15 28 21 21 28 33 6 5 5 3 6 30 19 13 18 14 6 4 4 2 3 2 7 41 38 16 3 2 1 3 76 7 5 2 3 10 2 1 2 1 1 1 2 2 3 7 2 10 1 1 3 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 2 3 17 11 7 4 6 16 9 2 3 4 4 6 20 35 69 25 56 100 26 40 19 8 4 2 2 4 2 1 2 2 1 1 2 4 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 s 1H | 76 76 ddd 1H J 26 35 122 | 74 73 m 1H | 74 74 s 1H | 73 72 dddd 1H J 26 37 88 101 | 53 53 s 2H | 39 39 s 3H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Br)cc1C(C)(C)C(Cl)SC
ir: 2 1 1 1 1 1 1 1 0 3 3 2 1 0 1 1 0 4 6 2 1 1 1 4 2 6 1 0 0 1 1 1 2 12 2 1 2 4 2 2 6 13 6 1 2 0 1 2 3 7 1 7 6 100 23 14 3 5 5 3 2 6 16 23 9 20 10 19 7 0 3 1 2 2 1 1 2 2 2 1 3 2 1 1 3 3 3 2 3 9 11 7 2 1 0 3 3 4 4 4 5 5 2 1 1 0 0 2 2 1 1 1 1 2 4 36 8 8 16 6 11 8 4 3 7 2 3 4 3 2 2 1 3 5 2 2 1 1 1 1 2 2 1 17 13 2 1 1 3 40 4 1 5 3 8 27 9 2 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 1 2 3 4 1 3 4 4 2 2 3 5 4 3 9 22 64 30 18 40 34 11 7 11 2 0 2 2 1 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 d 1H J 21 | 74 73 dd 1H J 22 81 | 68 68 d 1H J 82 | 48 47 dh 1H J 15 29 | 38 38 s 2H | 21 21 d 3H J 14 | 16 16 d 3H J 14 | 15 15 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(-n2cc(C(=O)C(CC)CC)c3cc(-c4c(C)cccc4C)ncc32)nc(Cl)n1
ir: 4 2 2 9 13 13 8 3 10 12 13 5 4 2 1 2 3 3 2 2 5 5 8 4 3 4 8 5 7 2 3 4 5 13 8 11 13 36 23 28 21 23 12 18 10 10 17 5 3 3 2 4 5 4 4 4 2 2 2 1 5 10 11 10 23 39 28 39 17 3 6 11 6 1 3 4 3 2 14 7 3 1 3 3 1 1 4 4 4 12 11 20 2 3 3 4 9 9 12 15 2 2 3 4 4 4 10 16 7 3 4 2 0 12 24 23 12 7 15 12 6 9 8 6 9 5 28 14 13 11 15 11 9 10 20 7 8 9 12 23 22 64 100 93 19 17 18 7 6 24 24 4 2 5 8 8 15 10 5 5 36 7 7 13 23 3 2 1 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 3 4 3 0 4 6 4 3 2 5 7 2 9 14 9 12 13 72 27 18 23 14 10 5 4 3 3 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 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 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 2 1 0; 1HNMR: 94 94 s 1H | 82 82 d 2H J 75 | 72 72 m 3H | 70 70 t 1H J 9 | 30 29 dddd 1H J 15 31 68 97 | 28 27 qd 2H J 8 71 | 24 23 s 6H | 17 16 dp 2H J 71 126 | 15 14 dp 2H J 70 126 | 14 13 t 3H J 71 | 10 9 td 6H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)N1CCC2(CCC(C#N)CC2)C1=O
ir: 4 5 2 4 7 2 1 3 7 6 4 2 2 2 0 2 4 5 4 3 3 3 6 39 27 16 7 10 5 1 5 100 24 52 40 5 3 1 2 3 1 1 2 4 4 1 3 8 6 5 3 4 3 10 5 9 6 5 5 5 2 1 9 16 7 21 3 2 4 3 3 2 2 2 1 2 4 4 4 5 4 1 5 6 7 7 37 7 15 6 3 2 3 2 2 2 1 2 3 2 5 8 74 27 7 7 33 15 14 7 8 11 19 8 6 15 13 20 12 10 5 7 6 3 2 9 5 4 1 3 4 1 1 6 4 4 9 8 3 1 1 3 2 1 1 3 2 5 30 6 58 4 2 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 4 25 9 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 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 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 3 3 4 5 7 12 4 3 8 6 6 5 13 36 17 44 11 4 2 2 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 0 1 2 1 0; 1HNMR: 33 32 m 2H | 30 29 p 1H J 50 | 27 26 s 5H | 20 19 m 2H | 19 18 m 4H | 18 17 ddt 2H J 49 77 127 | 16 16 ddd 2H J 48 74 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H](Cc1cccc(OC[C@H](O)COc2ccc(Cl)cc2Cl)c1)OC(C)C
ir: 1 1 1 2 2 2 2 1 1 1 0 1 1 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 1 5 7 1 1 0 0 1 3 2 1 1 1 1 0 0 1 0 1 1 1 1 3 3 2 2 2 2 3 2 1 2 1 5 2 2 3 2 3 1 1 1 2 8 11 2 1 0 0 1 2 1 2 1 2 1 0 0 0 1 1 1 1 1 1 1 1 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 0 0 0 0 0 1 4 1 1 0 2 1 1 0 1 3 0 1 1 1 1 4 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 2 5 2 5 11 6 2 2 1 1 2 2 100 5 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; 1HNMR: 73 73 d 1H J 21 | 72 71 m 2H | 70 69 ddq 1H J 10 20 82 | 69 68 m 2H | 67 67 dq 1H J 10 21 | 43 42 dd 1H J 55 118 | 42 41 m 6H | 41 40 dd 1H J 55 119 | 40 39 dd 1H J 55 121 | 34 34 d 1H J 62 | 31 30 ddt 1H J 9 66 139 | 29 28 ddt 1H J 9 66 137 | 12 12 d 3H J 59 | 12 11 d 3H J 59 | 11 10 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(OC2CCN(C(=O)OC(C)(C)C)CC2F)ncnc1N1CCc2cc(C(=O)O)ccc21
ir: 2 2 6 5 4 12 4 3 1 5 6 22 5 2 7 5 5 5 2 4 1 61 100 9 6 1 3 4 4 2 2 2 3 3 7 4 3 2 51 7 2 4 13 7 2 2 2 4 3 2 1 1 2 3 2 2 33 1 1 5 3 5 2 3 2 2 1 1 1 15 3 2 2 3 1 2 6 49 5 5 3 2 2 1 15 5 2 10 12 8 2 3 6 20 0 2 4 3 3 3 2 5 3 2 3 4 4 2 3 2 2 1 2 4 3 11 13 5 10 8 2 14 8 7 5 5 1 4 13 17 13 9 11 3 3 4 3 4 2 3 4 1 7 65 5 5 1 4 10 6 47 70 13 8 4 6 30 4 1 0 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 1 1 1 1 1 0 0 1 1 1 1 1 0 1 0 1 1 0 1 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 4 3 2 1 2 2 4 4 6 20 4 14 12 9 1 2 2 1 1 1 3 8 73 4 1 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 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 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 s 1H | 80 79 dt 1H J 8 18 | 79 78 dd 1H J 20 77 | 71 70 d 1H J 77 | 52 51 q 1H J 43 | 51 50 q 1H J 43 | 47 46 dtd 1H J 44 55 123 | 42 41 t 2H J 50 | 39 38 ddd 1H J 42 132 172 | 38 37 ddd 1H J 70 97 123 | 37 36 ddd 1H J 41 131 172 | 35 34 ddd 1H J 70 97 123 | 31 30 m 2H | 25 24 m 1H | 24 24 s 3H | 22 21 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(Oc2ccc(Br)c(C=O)c2)ccc1C(N)=O
ir: 1 2 7 2 2 6 3 1 2 4 3 3 6 19 11 8 5 11 10 9 6 5 3 5 5 2 3 3 2 3 2 3 5 2 2 2 3 3 2 2 5 4 22 28 44 3 3 4 2 0 2 3 2 6 27 6 2 2 2 3 11 11 3 1 2 2 1 1 2 2 4 5 2 3 1 1 3 4 2 2 3 9 3 3 2 2 2 2 12 4 1 2 3 8 2 1 2 2 1 1 1 2 1 1 4 1 2 1 3 6 4 1 2 1 1 2 5 4 1 2 1 1 1 1 2 2 1 19 6 11 1 2 1 1 2 13 5 2 2 1 1 2 25 2 2 2 2 10 2 4 2 5 61 10 7 6 6 6 12 40 5 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 4 3 5 48 2 3 2 1 1 1 1 1 1 1 1 3 1 1 2 2 25 1 1 2 3 1 1 1 3 1 1 6 8 100 10 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 d 1H J 86 | 76 76 d 1H J 88 | 74 74 dd 1H J 28 88 | 74 74 s 2H | 74 74 d 1H J 28 | 62 61 d 1H J 86 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2ccccc2C(=O)O)n(-c2ccncc2)n1
ir: 2 2 4 2 1 1 1 5 9 5 5 7 3 3 2 4 20 4 5 5 3 7 76 40 5 1 2 2 4 4 4 17 2 3 17 19 2 0 3 5 14 6 5 100 14 19 5 2 3 4 2 0 1 2 1 1 1 2 1 2 4 2 2 4 1 1 3 1 1 4 6 3 7 23 8 33 15 2 8 85 12 5 2 2 2 3 1 1 3 2 13 1 1 1 1 1 1 1 1 1 1 1 4 6 2 1 0 1 1 1 1 6 0 5 15 1 2 7 3 22 4 5 2 2 3 2 0 1 4 2 13 3 51 1 1 2 5 1 2 6 17 3 6 4 12 16 6 20 3 1 7 5 3 13 1 2 1 0 1 3 12 2 23 98 12 4 2 1 1 1 1 0 1 0 1 0 1 1 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 1 2 3 5 10 57 29 19 5 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 7 20 23 68 10 18 4 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 95 95 s 1H | 87 87 m 2H | 80 79 dd 1H J 16 80 | 77 76 td 1H J 16 79 | 75 74 m 2H | 72 72 dd 1H J 14 79 | 67 67 td 1H J 14 80 | 57 57 s 1H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2ccnc3ccccc23)n1
ir: 0 8 4 3 6 14 4 5 5 4 9 8 19 16 11 4 9 16 4 1 7 15 10 2 0 1 1 0 3 1 1 3 2 20 31 8 4 2 2 0 1 1 4 36 39 8 2 1 14 43 16 18 29 33 19 6 2 2 2 1 1 3 3 6 23 36 11 4 10 7 4 2 2 2 16 8 8 3 6 5 4 14 7 5 17 100 21 4 2 3 1 3 12 11 15 27 7 5 0 1 6 1 0 1 1 1 0 1 1 1 0 1 1 1 1 3 13 4 2 3 13 4 1 5 16 4 5 9 6 9 2 3 3 3 1 1 1 4 3 11 9 3 28 10 17 14 9 5 14 16 6 5 8 32 62 11 14 2 1 2 11 1 2 3 3 1 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 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 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 0 1 1 1 0 2 4 3 8 18 12 36 85 62 24 11 25 12 6 4 4 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 0 1 1 1 1 0 0 0 1 0 0 1 0 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 87 d 1H J 22 | 86 86 d 1H J 51 | 83 83 dd 1H J 13 88 | 82 81 dd 1H J 21 83 | 81 81 dd 1H J 15 81 | 79 79 d 1H J 51 | 77 77 m 2H | 76 75 m 2H | 73 72 d 1H J 40 | 26 26 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1CCOCC1)c1cc(COCc2ccc3ccccc3c2)on1
ir: 5 7 4 3 3 4 5 6 1 8 31 45 3 4 7 24 15 2 2 1 1 1 1 2 2 3 70 20 15 16 15 2 1 3 2 10 3 32 3 2 6 11 54 4 30 91 16 14 49 11 5 19 5 14 25 35 7 1 1 3 12 11 3 2 2 13 4 9 24 10 10 5 18 23 56 33 8 3 15 2 4 6 1 5 1 1 1 1 1 1 1 3 4 16 6 7 9 6 2 2 22 3 4 98 74 14 11 7 34 5 5 1 5 3 2 3 6 4 4 8 16 13 7 15 17 11 15 19 8 16 5 18 5 16 33 17 1 4 4 2 2 4 6 10 6 25 77 99 47 7 7 45 18 5 2 7 3 31 8 0 0 1 1 0 1 0 1 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 6 8 3 8 4 3 3 3 7 5 5 48 35 84 100 46 89 8 7 20 4 1 1 1 2 1 0 1 1 1 1 2 3 7 7 9 5 11 90 21 7 5 9 4 3 2 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 m 2H | 78 78 m 1H | 77 76 m 2H | 76 75 ddd 1H J 15 69 83 | 75 74 ddd 1H J 11 70 84 | 74 73 m 1H | 69 69 t 1H J 8 | 49 48 d 2H J 7 | 45 45 t 2H J 9 | 37 37 ddd 2H J 29 57 110 | 35 34 ddd 2H J 30 57 112 | 34 33 dd 2H J 44 64 | 21 20 pt 1H J 43 60 | 19 18 dtd 2H J 29 58 145 | 16 15 dtd 2H J 29 59 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1c(Cl)c(-c2ccc(Cl)cc2F)nn1C
ir: 0 4 6 6 3 11 8 10 4 6 8 6 5 6 24 4 4 4 5 3 3 7 9 24 9 12 5 14 3 6 6 7 5 15 7 6 5 5 11 5 6 10 5 2 2 4 3 1 3 5 3 1 3 12 24 56 18 4 13 6 4 5 10 2 4 7 7 29 11 5 8 4 4 4 3 2 4 4 3 2 3 4 2 12 7 3 4 4 6 6 9 7 4 3 2 3 3 3 2 3 7 4 2 3 6 12 4 6 5 10 5 11 10 5 11 12 11 8 4 9 6 7 6 4 15 6 6 5 10 58 69 98 11 9 2 5 4 3 8 23 8 15 5 5 4 3 4 9 40 8 6 13 14 9 4 5 4 3 3 4 5 100 3 5 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 3 3 4 3 3 3 8 5 3 3 5 4 3 4 6 7 5 9 6 13 22 34 23 62 86 45 19 6 9 5 4 3 1 4 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 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 4; 1HNMR: 77 77 dd 1H J 51 85 | 73 72 m 2H | 39 39 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.
CCOC(=O)C(F)=C(CF)NC(=O)Nc1cc(C(=O)OC(C)C)c(Cl)cc1F
ir: 2 5 2 4 5 2 5 6 3 4 5 2 3 4 3 2 1 2 1 2 2 5 3 2 2 2 4 3 3 2 2 1 2 4 4 1 2 5 3 1 1 5 8 2 34 39 18 7 3 0 2 4 1 0 2 3 1 0 1 2 1 0 1 1 1 1 3 6 11 4 2 2 1 0 2 3 1 1 2 2 1 2 2 2 15 2 1 2 1 1 1 1 1 2 4 1 1 1 1 3 0 1 4 5 2 4 24 13 6 1 1 2 1 2 2 2 1 2 2 3 2 3 7 2 2 2 1 2 4 3 4 3 9 5 3 2 2 4 6 2 0 3 2 1 1 3 6 15 55 8 19 19 3 3 13 2 1 14 100 5 4 0 1 2 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 6 3 6 32 9 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 5 5 4 12 19 20 11 10 2 2 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 31 | 84 83 d 1H J 47 | 74 73 d 1H J 121 | 55 55 d 1H J 44 | 54 54 d 1H J 44 | 50 49 hept 1H J 58 | 44 43 q 2H J 71 | 14 13 d 6H J 59 | 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.
CSc1ccc(CBr)cc1
ir: 7 3 4 3 2 2 1 2 3 18 22 9 4 2 1 1 1 1 1 1 1 1 1 5 7 10 3 2 2 1 3 4 5 3 30 33 21 9 5 6 4 2 1 2 2 4 3 2 1 3 2 1 13 35 68 60 21 5 7 4 2 0 1 2 1 0 1 2 4 10 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 3 7 8 7 12 100 19 4 4 2 0 3 4 3 1 1 2 2 2 2 12 19 7 8 7 4 3 6 6 11 10 5 9 5 4 6 4 9 18 12 6 4 2 2 2 1 1 2 2 1 1 1 2 1 1 1 3 5 13 30 21 28 14 5 2 5 7 6 2 2 1 3 2 1 1 2 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 2 4 10 5 3 3 2 3 5 6 31 23 15 43 93 44 19 18 13 4 4 3 8 1 1 2 2 1 0 2 2 1 0 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 73 72 dt 2H J 9 72 | 72 71 m 2H | 45 45 d 2H J 9 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CCCOCCCCCCCCOC2CCCCO2)cc1
ir: 2 1 0 1 2 2 2 12 4 6 11 5 2 3 2 6 2 1 0 1 1 1 0 5 1 1 0 2 2 6 15 13 5 4 1 2 2 3 7 16 18 25 10 7 3 3 3 3 4 4 2 2 1 2 3 4 7 4 5 3 3 2 5 5 8 2 6 13 32 7 7 10 6 3 9 37 14 15 24 21 5 2 2 1 1 1 1 1 1 7 4 2 1 3 10 1 1 5 8 3 1 3 3 6 18 11 4 2 7 11 10 9 5 5 4 7 7 10 6 10 10 5 7 11 4 3 3 3 6 2 4 3 3 6 6 45 9 5 2 1 1 2 4 25 5 10 3 2 1 2 2 7 5 2 2 1 1 1 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 0 0 1 1 0 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 2 1 2 3 7 7 9 11 11 5 4 4 4 8 6 19 32 42 19 100 24 10 2 1 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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: 73 72 m 5H | 46 45 t 1H J 34 | 38 37 m 2H | 36 35 m 1H | 35 34 dt 4H J 62 76 | 34 33 dt 1H J 63 113 | 27 26 m 2H | 19 18 m 2H | 18 17 m 1H | 17 16 m 1H | 16 14 m 8H | 14 12 m 4H | 13 13 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Cl)cc1C(F)(F)F
ir: 11 11 10 4 2 4 6 2 1 3 16 27 23 17 16 6 5 14 18 5 3 6 4 2 1 4 4 1 1 3 4 1 2 5 4 1 2 5 4 1 2 5 3 0 2 6 4 2 4 7 4 1 26 20 27 14 3 3 3 5 3 3 3 3 3 16 58 20 6 4 2 3 23 26 4 13 6 20 10 4 5 4 2 2 3 3 1 3 8 4 4 9 16 5 4 2 4 3 18 78 45 8 2 4 6 9 8 17 43 7 4 11 33 55 84 13 8 8 10 23 22 21 20 7 7 4 3 4 5 2 1 3 4 2 3 5 9 15 15 6 11 12 69 100 36 12 14 18 11 2 8 10 9 5 7 7 8 4 3 5 4 3 13 6 3 1 2 4 2 1 2 4 2 1 2 4 3 1 3 4 2 1 2 4 2 1 3 3 2 1 3 4 2 1 3 3 1 2 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 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 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 2 4 4 7 6 12 17 27 29 51 21 10 4 5 4 3 2 3 4 3 2 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 79 79 d 1H J 82 | 77 77 dq 1H J 10 19 | 74 73 dd 1H J 22 82 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2ccc(F)cc2[nH]c2cc(N3CCOCC3)cc(O)c12
ir: 5 3 1 8 8 5 2 4 14 11 3 5 8 4 6 6 8 11 22 77 49 18 13 21 17 18 33 6 10 5 9 6 5 3 2 2 5 2 3 3 3 3 3 4 8 18 69 23 5 0 8 6 3 1 4 6 6 3 4 5 3 2 4 5 4 5 16 28 14 7 4 15 20 30 4 3 2 2 2 4 2 3 6 4 5 3 15 6 5 5 5 27 14 11 6 11 16 10 7 6 4 7 9 34 19 5 82 8 3 4 3 9 4 8 5 2 1 4 6 5 2 2 4 3 4 3 3 2 2 4 5 2 7 8 18 10 2 2 3 11 2 2 2 2 3 11 17 3 3 4 6 2 6 11 2 14 9 5 51 28 3 3 17 14 14 100 8 2 3 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 3 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 1 2 2 2 1 2 2 2 3 3 2 2 2 2 4 2 1 10 14 12 29 26 8 10 9 99 86 16 5 3 1 3 3 2 1 2 2 1 2 2 4 3 6 4 8 45 39 31 15 8 5 4 3 1 2 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 99 98 s 1H | 80 80 dd 1H J 50 83 | 72 71 dd 1H J 21 121 | 71 71 ddd 1H J 21 82 103 | 66 66 d 1H J 22 | 63 62 d 1H J 22 | 39 38 m 4H | 34 34 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(=O)NC2CC2)nc1
ir: 9 16 8 16 3 3 2 2 5 16 5 2 2 2 1 2 3 1 2 1 2 1 1 2 2 2 2 1 3 7 2 1 2 9 54 100 13 9 2 14 16 6 25 7 15 6 3 3 2 1 2 4 3 3 12 16 3 1 4 3 1 0 2 3 1 0 2 3 3 3 13 1 2 2 5 4 7 3 4 2 1 2 3 4 3 1 2 4 2 9 6 11 3 2 2 2 1 2 4 5 0 4 21 1 2 1 2 1 1 1 2 1 1 3 1 7 9 12 10 3 2 2 3 1 5 2 3 1 1 7 23 51 11 5 2 6 12 61 15 6 4 6 4 56 23 4 11 3 6 4 22 34 8 8 11 8 2 3 2 1 3 11 7 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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 1 1 1 1 1 1 1 1 1 2 1 2 2 3 2 5 4 5 55 10 14 16 15 11 5 2 1 2 2 1 2 2 2 2 2 2 2 2 1 3 2 6 4 33 60 60 14 4 4 1 1 2 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 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; 1HNMR: 92 92 d 1H J 19 | 83 82 dd 1H J 20 82 | 81 80 d 1H J 82 | 76 75 d 1H J 81 | 39 39 s 2H | 29 28 dp 1H J 47 82 | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1cc(Cl)c(C#N)cc1Cl
ir: 0 4 2 1 1 1 4 1 1 2 3 3 3 4 6 7 4 3 1 3 2 3 2 2 3 3 3 2 3 3 3 2 2 8 2 2 3 3 4 6 10 7 3 1 2 2 1 1 1 2 1 0 1 3 2 1 2 4 2 1 4 7 5 9 6 15 3 20 100 2 11 22 7 19 5 6 1 2 2 2 2 1 3 5 2 1 2 1 2 2 3 8 10 6 4 1 1 1 4 4 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 6 10 2 2 2 2 2 1 1 1 2 1 1 1 3 1 2 8 7 9 18 4 5 4 2 2 2 2 1 2 2 5 6 7 7 3 2 2 2 2 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 3 7 4 4 12 9 7 22 46 16 7 4 11 5 11 6 6 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 s 1H | 71 71 s 1H | 61 59 ddt 1H J 55 113 170 | 54 53 m 1H | 53 52 ddt 1H J 13 24 168 | 46 45 dt 2H J 14 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(Oc2c[nH]c(=O)[nH]c2=O)c1
ir: 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 5 2 4 1 1 0 1 1 1 1 4 12 10 2 2 5 0 0 1 1 1 1 2 2 10 3 4 5 6 22 4 5 54 9 1 2 1 2 8 45 18 25 6 2 2 1 1 1 1 1 2 2 2 3 1 1 1 4 1 1 0 1 1 2 1 1 2 1 1 4 12 7 3 8 4 2 1 5 3 0 1 1 1 1 1 1 1 0 1 1 1 0 2 2 1 1 1 3 6 1 2 1 1 0 1 1 1 1 1 1 0 1 1 2 1 5 3 1 1 1 3 8 6 2 1 4 1 1 1 1 0 1 2 3 0 12 35 36 15 11 47 15 4 2 2 3 2 3 3 3 100 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 7 12 8 5 4 4 2 1 1 1 1 1 1 1 1 1 9 2 2 1 2 3 8 9 32 79 32 45 17 14 5 10 6 3 2 2 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 72 72 m 1H | 69 69 m 3H | 68 67 dd 1H J 18 25 | 66 66 dtd 1H J 7 14 81 | 23 23 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2oc(C(=O)C=Cc3ccccc3)c(N)c2c1Cl
ir: 1 1 0 1 1 1 1 4 3 4 4 4 5 7 25 20 6 5 11 6 5 1 2 3 3 2 2 3 4 8 4 11 2 2 1 2 3 2 3 2 1 5 3 39 22 10 5 1 2 0 1 3 2 14 10 3 2 2 3 5 2 1 1 3 4 3 3 3 3 4 1 1 2 2 2 2 3 7 5 13 20 6 5 2 1 1 2 2 1 1 1 2 3 1 1 1 0 0 1 2 1 2 4 4 1 3 2 2 1 1 1 1 0 1 2 1 1 1 1 1 2 2 4 3 0 1 1 1 3 1 11 6 5 3 6 4 4 3 3 1 9 18 4 6 10 7 5 1 7 2 12 17 6 22 4 1 1 11 46 33 27 4 2 1 2 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 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 1 1 1 0 1 1 1 1 1 2 2 3 2 2 3 4 6 10 17 12 21 45 20 11 5 4 1 2 2 2 1 1 2 1 2 1 1 2 23 9 86 1 1 1 1 2 1 2 1 3 4 27 100 4 2 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 m 1H | 76 76 m 2H | 74 73 m 3H | 73 72 m 2H | 70 69 m 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(Br)cnc(NC)c1Br
ir: 2 6 8 17 14 4 3 1 4 2 2 2 2 2 2 2 2 3 3 2 1 2 5 7 14 4 1 1 1 2 4 2 2 1 1 1 1 2 2 1 12 10 4 2 2 4 1 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 2 2 5 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 3 3 2 1 1 2 2 3 8 4 1 3 2 2 2 2 2 1 1 5 6 13 17 5 2 1 1 1 2 1 7 5 2 2 15 5 1 2 1 0 100 80 3 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 3 2 4 14 13 15 9 3 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 65 64 q 1H J 48 | 33 32 q 2H J 74 | 31 30 d 3H J 48 | 14 13 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=CCc1ccc(Br)cc1
ir: 5 4 8 4 6 4 1 4 6 21 17 12 16 12 4 7 11 11 7 4 3 2 1 3 3 1 2 5 3 2 1 4 5 4 2 5 4 3 4 5 12 12 73 65 9 6 4 5 6 24 5 25 31 25 81 43 46 13 6 6 4 1 3 17 2 1 3 4 6 1 5 7 5 21 11 15 9 1 3 4 1 1 3 4 2 11 7 6 8 5 6 16 81 43 17 20 23 6 7 7 7 4 5 16 36 8 7 4 2 2 4 4 7 12 6 9 15 45 22 18 5 5 12 15 18 5 4 5 4 4 3 2 3 3 4 6 16 10 38 100 51 8 9 8 9 23 61 79 5 11 6 9 6 7 5 1 14 30 7 2 3 6 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 4 2 3 7 4 5 7 8 5 5 7 9 5 13 9 1 44 78 53 48 32 40 25 11 3 3 3 6 3 2 3 4 2 1 3 3 2 1 3 3 2 2 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 75 74 m 2H | 73 72 dq 2H J 9 79 | 67 66 dt 1H J 64 158 | 58 57 dt 1H J 13 158 | 42 41 q 2H J 61 | 35 34 dq 2H J 9 65 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C2(c3ccnc(Br)c3)N=C(N)c3c(F)cccc32)c[nH]c1=O
ir: 4 9 9 23 46 21 27 9 7 11 3 8 10 9 32 21 6 9 4 5 12 8 4 3 4 2 7 3 5 9 27 5 3 4 5 6 3 5 4 8 5 1 16 11 6 3 13 89 76 15 3 7 1 2 1 1 1 3 1 1 3 3 1 1 4 9 24 24 3 2 3 2 2 1 8 16 12 20 3 1 3 4 3 6 8 2 1 1 2 1 2 2 3 2 1 1 1 0 1 1 1 1 2 5 1 5 5 1 1 3 22 3 2 7 29 17 3 18 6 3 3 3 3 2 3 5 17 6 4 1 2 2 7 10 1 5 1 2 3 22 54 26 2 3 2 4 3 7 6 7 33 2 100 61 55 11 56 18 13 4 22 5 1 13 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 2 4 3 3 10 48 51 15 9 14 1 1 1 1 1 1 1 1 1 1 1 1 2 4 6 3 3 4 1 16 58 5 3 4 7 22 87 8 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 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 0 0 0 1 0 0 0 1 0 0; 1HNMR: 99 99 d 1H J 60 | 86 85 d 1H J 36 | 80 80 dd 1H J 13 60 | 77 77 m 2H | 75 74 ddd 1H J 52 70 77 | 74 73 dd 1H J 21 38 | 72 71 ddd 1H J 13 77 103 | 70 69 dd 1H J 12 68 | 60 59 s 2H | 26 26 qd 2H J 13 76 | 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@@H]1CC[C@@H](C)C[C@H]1OC(=O)/C=C/c1ccc(F)c(F)c1
ir: 3 3 6 15 23 5 21 11 20 10 11 15 27 7 7 5 5 5 5 3 3 3 2 4 2 1 1 2 2 1 3 4 2 1 1 2 2 2 2 2 3 0 3 3 2 0 1 2 2 3 6 10 13 70 34 10 16 8 8 3 3 11 6 8 9 8 10 14 20 5 8 6 2 1 10 26 30 46 14 77 100 37 18 3 3 2 12 24 7 6 2 1 2 2 2 2 8 14 76 14 8 8 10 14 19 15 22 21 19 8 16 8 3 5 7 6 2 7 6 3 4 6 17 13 2 5 4 2 5 4 4 16 13 17 17 11 12 13 6 5 12 18 3 0 1 65 38 77 48 46 6 2 4 7 5 2 3 2 3 1 1 2 1 1 1 3 2 1 1 2 1 0 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 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 2 1 1 2 2 3 3 5 4 2 9 9 9 7 4 7 8 9 26 19 36 34 40 28 47 12 7 5 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 m 1H | 74 74 m 1H | 74 73 dt 1H J 22 121 | 73 72 ddd 1H J 47 93 102 | 63 62 d 1H J 161 | 49 48 dddt 1H J 26 35 61 88 | 20 19 dpd 1H J 25 67 82 | 18 17 m 1H | 17 16 ddd 1H J 34 58 136 | 16 15 ddt 1H J 53 79 130 | 15 14 m 2H | 14 13 ddd 1H J 61 85 137 | 13 12 dtd 1H J 52 80 127 | 12 11 m 1H | 9 8 ddd 6H J 15 68 110 | 8 8 d 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(CC(=NO)c2ccccc2)cc1
ir: 21 30 21 73 14 45 3 19 19 4 31 32 7 25 6 15 8 7 5 6 4 4 8 10 3 4 3 6 5 5 9 11 11 7 6 7 4 4 4 7 27 46 32 6 3 4 2 1 4 3 3 9 3 18 30 57 19 5 5 3 3 2 2 4 2 4 4 8 8 12 15 9 4 2 3 7 7 9 9 9 10 26 12 8 4 2 3 3 2 2 3 5 23 15 12 10 5 13 14 34 100 17 9 4 5 3 3 1 2 2 1 3 3 3 2 4 4 6 6 6 9 7 4 5 5 13 8 4 5 5 8 5 1 2 13 3 2 2 1 3 8 16 17 11 16 16 23 24 14 7 4 9 5 3 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 0 1 2 1 1 2 1 1 2 2 2 2 4 9 8 30 37 99 31 10 10 3 6 5 8 89 68 32 4 3 2 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 76 76 m 2H | 75 74 m 3H | 73 72 dt 2H J 9 76 | 72 71 m 2H | 40 39 t 2H J 9 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1CCN(CC2(O)Cn3c(=O)c(F)cc4ncc(F)c2c43)CC1
ir: 11 5 0 14 6 3 7 5 6 4 8 5 8 6 4 2 8 8 4 1 2 28 12 3 5 4 10 19 32 23 41 19 16 3 7 3 3 6 6 4 10 3 13 13 18 4 4 2 2 2 9 9 21 4 2 4 2 2 2 4 3 2 4 6 6 2 3 5 7 3 3 3 2 3 3 3 5 6 13 21 17 7 14 36 14 14 8 3 4 6 14 25 19 10 6 5 4 5 5 7 7 4 3 3 5 8 3 16 14 3 4 6 22 8 3 11 6 8 10 5 7 5 8 5 7 8 10 7 22 9 3 7 4 2 3 2 14 2 2 2 2 1 2 8 29 54 100 11 10 68 5 7 2 2 1 2 2 1 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 2 2 3 3 3 2 3 2 4 6 3 5 18 4 7 6 2 15 2 4 2 3 7 48 21 3 5 3 2 3 2 1 3 2 3 3 2 3 7 18 20 16 2 7 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; 1HNMR: 83 82 d 1H J 141 | 73 72 d 1H J 132 | 46 46 d 1H J 123 | 45 44 m 2H | 44 43 d 1H J 123 | 37 36 dp 1H J 44 71 | 32 32 d 1H J 124 | 30 29 d 1H J 125 | 29 28 m 5H | 20 16 m 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)(N)C(=O)Nc1nc(C(F)(F)F)c(C(=O)c2ccc(F)cc2)s1
ir: 11 9 7 7 5 6 7 7 5 7 13 6 6 6 7 6 6 7 9 8 6 8 7 6 9 9 9 8 8 9 8 7 6 7 7 18 11 9 16 11 31 48 17 15 10 13 32 9 8 6 7 9 8 5 11 52 30 100 42 0 9 17 6 4 8 27 54 19 14 13 7 7 8 8 7 17 8 7 6 6 7 7 10 13 10 18 8 9 12 13 7 6 8 8 19 20 9 9 10 12 32 15 8 7 9 7 16 9 8 7 7 8 10 6 7 7 7 7 10 8 13 19 9 8 11 30 15 12 24 13 17 11 15 45 24 10 10 24 8 8 7 6 6 12 62 10 19 63 47 21 29 9 7 7 7 7 7 7 6 7 6 6 8 7 6 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 7 7 6 6 6 7 6 6 7 6 6 6 7 6 6 6 6 6 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 6 7 6 5 6 7 6 5 6 6 6 6 6 7 6 6 6 7 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 7 7 6 8 7 6 6 7 6 5 6 8 7 8 10 9 14 71 14 9 7 6 7 8 7 7 7 8 7 6 11 81 44 20 9 14 9 8 8 48 46 11 40 47 8 9 7 7 7 6 6 6 6 6 7 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 5 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 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 7; 1HNMR: 77 76 m 3H | 73 72 ddt 3H J 17 86 100 | 33 33 s 2H | 14 14 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1
ir: 7 6 10 10 18 12 8 11 8 9 6 7 20 24 5 2 3 2 2 3 2 11 17 14 2 2 1 4 12 13 5 3 3 3 4 9 9 11 8 9 68 78 43 17 10 3 7 2 3 2 2 3 6 25 48 10 32 3 4 2 2 4 4 2 2 10 35 33 20 9 5 4 6 2 6 6 1 1 4 3 2 2 4 13 3 8 7 3 1 2 3 4 37 29 8 10 3 4 6 3 1 2 2 4 2 1 2 2 6 17 14 12 12 11 6 11 21 14 12 8 6 7 8 5 34 40 19 8 5 21 10 5 5 8 13 72 63 44 6 3 3 3 53 15 15 100 92 12 71 13 6 17 13 7 4 1 15 76 6 0 3 5 9 17 3 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 5 3 2 2 2 2 5 4 3 5 5 8 8 17 34 0 30 23 64 9 8 14 6 1 2 5 2 1 1 2 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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: 91 90 d 1H J 16 | 83 83 d 1H J 16 | 73 73 dd 1H J 6 16 | 72 71 d 2H J 17 | 56 56 d 2H J 7 | 44 43 q 2H J 64 | 25 25 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCCCCN(CCc1ccccc1)Cc1ccccc1
ir: 3 3 5 6 4 4 4 6 6 3 4 25 2 3 3 1 2 1 1 0 1 1 1 1 2 2 3 5 2 4 5 5 6 3 1 4 3 4 11 36 26 5 6 2 4 2 2 1 2 2 1 1 1 1 2 3 1 2 1 3 2 3 4 4 2 2 1 7 6 5 2 1 1 2 0 1 2 2 3 3 3 4 7 11 2 3 5 8 2 34 5 3 2 2 2 1 3 8 5 9 4 4 6 3 3 3 6 3 5 2 4 3 4 6 4 3 6 3 3 8 2 4 4 1 1 1 2 3 3 3 3 3 2 5 6 39 8 3 5 3 4 6 16 55 28 17 9 5 1 1 2 6 3 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 2 1 2 4 5 2 1 4 2 3 3 4 12 19 11 31 100 17 15 4 0 1 2 2 1 2 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 10H | 37 36 s 2H | 36 35 s 2H | 28 27 m 4H | 26 25 t 2H J 60 | 23 22 t 2H J 85 | 15 14 m 4H | 14 13 m 2H | 13 12 hept 6H J 27
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CC=CC(O)C1
ir: 4 3 2 3 4 3 2 3 5 3 4 5 6 8 4 4 8 5 4 14 27 17 39 12 0 14 6 1 1 4 4 2 2 6 5 3 7 3 3 2 2 3 3 2 2 3 3 2 3 3 3 4 4 3 3 1 2 3 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 5 4 3 9 11 12 12 9 8 10 10 16 11 15 4 4 4 2 3 3 3 3 3 3 5 4 3 3 3 2 2 3 3 2 3 4 3 3 5 4 4 6 10 6 5 5 4 4 3 2 3 3 3 2 2 3 3 2 3 3 3 4 3 7 6 4 4 4 2 6 7 7 10 3 3 3 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 3 3 3 3 2 3 4 3 3 3 4 3 3 4 5 5 3 4 5 5 3 4 4 2 1 4 8 100 13 79 15 6 5 2 2 3 3 2 2 3 3 3 4 3 3 2 3 3 3 3 2 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 58 57 qd 2H J 10 33 | 43 42 dddd 1H J 24 46 55 86 | 27 26 tddd 1H J 11 62 74 83 | 26 25 m 1H | 24 23 d 1H J 51 | 23 22 m 1H | 22 21 ddd 1H J 67 84 129 | 20 19 ddd 1H J 67 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2nc(N3CCOCC3)sc2c1
ir: 3 3 5 4 3 7 5 12 8 14 7 11 10 3 4 5 3 3 1 2 1 1 2 1 2 1 2 4 3 3 3 2 2 4 1 2 2 1 2 0 1 1 2 1 1 4 3 2 1 1 1 2 2 5 8 13 8 5 1 2 1 1 1 2 1 6 8 10 6 3 1 2 10 2 7 1 1 2 7 12 27 6 12 28 15 2 2 5 1 4 6 2 3 2 3 2 1 2 1 2 1 2 2 4 1 1 2 5 2 2 4 8 4 1 4 6 7 6 6 4 7 2 2 2 3 3 2 1 2 4 4 7 3 2 1 2 1 3 4 5 2 1 1 4 31 2 1 0 0 6 100 1 4 1 1 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 3 2 2 2 1 1 1 2 4 5 4 13 4 15 3 1 1 2 3 22 15 19 1 2 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 71 71 d 1H J 22 | 68 67 dd 1H J 22 82 | 39 38 m 4H | 36 35 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)c1ccc2c(c1)C=Cc1ccc(CO)cc1S2(=O)=O
ir: 7 3 3 2 2 4 1 6 12 4 1 5 100 4 6 8 12 8 4 12 16 6 3 1 0 4 2 1 1 1 2 13 2 2 2 4 1 11 7 2 1 2 6 6 2 2 1 1 3 3 2 2 4 12 38 13 5 3 5 2 2 2 4 3 32 26 7 10 10 3 2 2 1 1 2 2 2 2 4 3 4 17 6 13 45 21 58 34 29 4 37 31 6 12 1 2 8 2 18 5 3 2 1 4 19 3 1 12 18 6 1 2 3 3 1 2 2 4 6 3 10 11 5 2 2 2 1 5 3 1 2 2 2 1 1 2 2 1 1 2 2 11 13 4 2 1 1 22 5 2 2 4 8 8 3 2 8 1 1 2 1 1 1 1 4 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 1 1 1 1 2 2 4 2 2 1 0 1 2 2 1 1 5 4 2 14 13 30 79 11 5 4 3 3 4 5 74 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 m 2H | 80 80 dt 1H J 9 20 | 78 78 m 2H | 77 77 dd 1H J 7 84 | 75 75 d 1H J 103 | 74 74 ddt 1H J 9 20 84 | 47 47 dt 2H J 8 55 | 27 27 s 2H | 25 25 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1ccc(CNC(=O)C2CCC3(CC2)CC(c2ccccc2)=NO3)cc1F
ir: 1 7 5 6 7 6 4 4 4 4 3 4 6 4 3 2 1 5 5 5 8 7 5 3 3 4 2 6 4 10 10 5 5 5 7 4 5 17 17 13 25 18 15 3 10 6 5 8 7 5 2 6 5 5 4 5 32 12 11 2 8 2 1 2 1 2 3 7 14 34 6 4 1 2 2 1 1 2 5 2 2 2 1 2 6 5 5 6 18 14 4 3 1 2 0 3 16 46 6 2 3 5 9 30 10 5 4 1 2 5 7 4 2 11 23 12 6 9 7 20 7 12 14 9 3 6 3 10 8 2 6 3 1 3 6 3 2 1 1 3 58 5 4 77 31 24 20 29 11 6 10 3 2 6 2 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 3 2 1 2 3 4 2 3 2 3 6 5 5 8 12 10 19 37 33 8 3 2 2 2 2 1 1 1 1 0 1 2 1 1 1 2 1 2 3 8 7 12 12 19 100 11 9 3 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 76 m 2H | 75 74 m 1H | 74 74 m 4H | 72 71 m 2H | 71 71 ddt 1H J 9 17 121 | 44 44 dt 2H J 9 59 | 32 32 s 2H | 30 30 s 2H | 24 23 p 1H J 57 | 21 20 ddd 2H J 61 86 139 | 19 17 m 4H | 17 16 ddt 2H J 58 84 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(O)c1ccsc1
ir: 1 3 3 3 2 18 12 2 3 3 2 2 1 2 1 3 5 2 2 1 1 1 1 1 1 1 1 4 18 6 3 6 3 2 1 1 1 1 1 1 1 2 3 4 5 7 3 3 2 2 2 3 2 1 3 5 2 2 5 8 1 1 1 3 2 0 2 2 1 1 1 2 4 1 1 1 2 0 1 2 2 2 4 8 16 48 100 77 55 52 2 3 18 8 10 11 7 10 2 1 1 1 0 0 1 1 0 0 1 1 0 1 3 3 6 11 4 3 2 5 3 2 1 1 1 1 2 2 1 1 0 1 3 15 13 5 1 0 0 1 1 0 2 4 6 4 1 0 0 1 1 1 6 2 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 2 3 2 3 2 2 5 2 5 3 5 56 21 32 5 4 5 15 28 3 2 1 1 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dt 1H J 10 21 | 74 74 dd 1H J 18 51 | 72 72 ddd 1H J 7 16 51 | 51 51 m 1H | 40 40 d 1H J 51 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(=O)CC1(CCN(NCCc3cc(=O)n(C)c(=O)n3C)CC1)O2
ir: 3 2 10 31 15 11 8 5 9 7 17 4 5 7 3 5 4 9 9 5 3 3 6 10 5 9 17 7 14 10 8 8 4 4 8 19 14 6 9 2 24 19 12 5 5 5 14 26 12 4 4 3 3 26 17 7 4 7 4 6 3 4 4 15 19 18 8 21 100 52 3 7 12 12 2 1 2 3 2 1 2 2 6 1 3 4 7 5 12 14 8 11 10 5 5 11 9 11 7 4 5 4 4 5 15 21 5 4 4 3 4 1 13 4 4 4 4 3 9 8 43 30 19 15 9 17 12 11 31 24 6 13 17 7 9 15 10 10 4 5 8 3 6 2 2 2 3 70 14 1 3 6 6 7 6 69 34 2 1 4 6 0 29 7 4 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 1 1 1 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 2 1 1 1 3 4 2 2 3 6 3 3 4 3 4 6 7 4 25 25 7 15 50 30 21 8 3 3 3 1 1 3 3 4 3 4 3 5 9 10 12 30 73 27 5 4 5 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 d 1H J 27 | 71 70 d 1H J 86 | 70 69 dd 1H J 27 85 | 56 55 t 1H J 13 | 47 47 t 1H J 53 | 38 38 s 2H | 33 33 d 5H J 154 | 30 29 m 2H | 29 29 s 2H | 29 27 m 5H | 27 26 td 2H J 13 52 | 22 22 ddd 2H J 39 67 141 | 20 19 ddd 2H J 39 66 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(OC)c(CC)c1CC1=NCCN1
ir: 2 3 1 5 4 5 3 6 11 4 8 7 14 5 8 15 2 7 5 2 2 3 7 3 3 4 9 7 2 4 3 3 3 2 2 2 2 2 2 1 1 2 2 1 2 2 1 1 3 2 4 3 3 14 7 2 2 3 3 3 2 3 2 2 2 13 4 0 27 3 3 4 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 2 1 2 3 1 3 7 6 2 1 1 1 2 2 2 1 2 1 4 4 3 5 7 6 1 3 2 1 2 8 3 2 3 2 4 3 1 5 4 9 26 100 26 6 8 3 6 6 8 5 9 14 11 4 4 2 2 7 1 2 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 3 2 3 3 2 2 3 3 11 8 4 7 8 7 3 1 1 2 1 1 1 1 2 1 1 2 2 1 1 1 1 1 2 4 3 9 73 21 3 4 3 5 6 2 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 69 dt 1H J 9 86 | 67 66 d 1H J 86 | 62 61 t 1H J 37 | 39 38 s 2H | 36 36 dd 2H J 34 47 | 36 35 m 2H | 34 34 s 2H | 28 28 q 2H J 76 | 27 26 qd 2H J 9 75 | 12 11 dt 6H J 76 161
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCOc1cc(Br)cc2c1C(C)(C)CCC2(C)C
ir: 0 1 2 1 2 1 3 2 2 2 2 1 0 1 2 9 1 13 2 2 1 2 1 1 1 2 1 0 1 2 2 0 0 1 1 0 0 1 1 0 0 2 5 1 2 2 1 0 1 3 3 12 5 2 1 6 1 3 2 2 3 9 13 6 7 31 80 11 47 34 100 63 19 20 13 11 60 8 13 5 3 0 2 2 1 2 4 2 3 2 3 4 0 3 5 7 3 3 2 2 1 1 2 1 1 1 2 3 3 9 2 2 1 9 3 7 26 5 13 12 6 8 17 16 10 5 2 2 9 7 7 43 8 7 6 3 2 1 1 2 23 3 2 1 1 0 1 0 4 1 1 0 0 2 2 0 19 7 2 3 5 81 5 6 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 1 0 0 1 0 1 1 1 0 1 0 1 0 0 1 1 1 1 1 1 1 1 2 7 5 3 4 4 11 9 4 3 5 5 8 9 27 39 27 48 23 25 9 6 8 4 2 2 2 1 2 2 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 d 1H J 22 | 69 69 d 1H J 22 | 51 51 s 2H | 37 36 q 2H J 74 | 19 19 m 1H | 19 19 s 3H | 14 13 s 5H | 13 13 s 5H | 12 11 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1-c1ccccc1C(=O)N(C)CC(=O)O
ir: 2 2 2 1 2 2 3 2 1 2 2 2 7 5 4 3 3 3 2 4 6 21 40 6 5 4 3 1 2 2 2 2 6 5 3 2 3 2 2 4 17 2 22 27 5 4 3 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 7 2 2 3 3 5 7 9 3 3 2 2 2 2 2 3 4 2 2 2 2 1 1 4 2 2 2 3 3 2 1 1 1 1 1 1 1 2 2 1 2 3 2 2 2 2 3 3 4 7 6 5 2 1 2 2 3 2 3 5 3 3 8 12 7 6 2 4 3 9 14 22 6 8 7 13 8 2 2 2 1 2 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 3 3 1 7 5 9 20 11 5 3 2 2 3 3 8 80 100 18 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; 1HNMR: 79 78 dd 1H J 13 78 | 78 77 ddd 2H J 14 77 120 | 76 76 td 1H J 16 77 | 75 75 td 1H J 12 76 | 74 74 dd 2H J 67 78 | 73 72 m 1H | 41 40 s 2H | 31 31 s 3H | 25 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Cn2cc(C(=O)Cl)cn2)cc1
ir: 1 2 3 2 2 2 3 2 24 31 10 7 1 5 7 6 4 3 3 1 1 2 3 1 1 3 2 2 2 5 5 5 100 31 13 1 2 3 9 5 2 4 3 0 2 4 4 2 7 7 5 4 5 5 15 6 6 8 3 1 4 4 2 0 2 4 5 4 15 15 2 7 9 4 1 0 2 3 1 0 3 3 1 0 3 4 1 2 6 6 54 44 5 7 24 29 8 7 3 3 3 2 0 1 5 4 1 3 6 7 31 25 3 3 1 2 4 3 2 3 5 4 5 5 16 10 6 3 5 2 1 2 3 2 2 3 3 2 5 31 51 7 3 5 3 1 2 36 30 7 14 5 5 2 2 3 3 1 5 4 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 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 3 2 0 1 3 2 0 1 3 2 0 2 3 2 1 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 3 2 1 2 3 2 1 2 3 2 2 2 5 3 0 7 7 43 44 10 12 10 11 7 4 4 3 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 80 80 s 1H | 79 79 q 1H J 8 | 73 72 dt 2H J 9 72 | 71 70 m 2H | 54 54 q 2H J 9 | 23 23 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(Cl)c2cnc(C3CCOCC3)n2n1
ir: 4 3 15 11 3 3 4 3 3 9 6 4 12 3 4 11 3 3 4 5 7 10 7 5 2 3 3 2 2 4 4 4 3 26 18 26 15 6 4 14 17 11 5 31 49 27 6 2 5 27 6 0 7 10 8 3 5 7 8 2 6 5 4 2 4 5 7 8 16 10 11 6 4 7 19 12 4 13 6 0 8 10 3 2 5 8 3 2 4 4 2 3 13 12 11 66 70 8 6 7 6 11 10 15 25 21 69 40 44 23 31 83 63 52 33 19 12 18 3 11 16 27 16 6 6 8 9 10 7 6 2 5 4 3 2 4 8 4 2 4 4 3 5 5 4 2 2 3 3 2 3 3 3 2 2 3 3 5 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 3 4 2 2 3 4 3 2 3 3 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 4 2 2 4 3 2 3 5 4 3 8 5 7 5 6 23 37 13 41 31 12 19 25 33 21 11 55 55 11 5 47 100 13 3 3 5 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 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3; 1HNMR: 70 70 s 1H | 38 37 ddd 2H J 33 60 110 | 36 36 ddd 2H J 34 60 110 | 32 31 p 1H J 53 | 25 24 dddd 2H J 33 52 60 146 | 22 21 dddd 2H J 34 53 60 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1[C@@H](NC(=S)Nc2ccc3c(=O)n(CCc4ccc(Cl)cc4Cl)cnc3c2)C[C@H]2C[C@@H]1C2(C)C
ir: 2 3 15 5 4 4 3 3 2 3 4 4 3 3 5 5 5 3 3 3 2 3 3 2 4 5 10 11 3 5 4 25 8 9 64 60 23 12 7 5 7 9 5 1 8 26 46 63 5 8 5 6 9 18 12 4 7 3 3 1 2 3 5 2 3 5 9 20 9 12 7 7 2 3 2 1 3 3 2 2 3 4 2 2 3 9 3 2 4 7 8 9 24 6 2 2 9 6 4 6 6 12 7 4 5 15 3 3 3 4 5 2 3 3 1 3 4 2 5 4 6 4 5 9 9 4 5 3 7 11 7 21 13 9 6 5 3 5 12 10 6 15 6 10 7 15 42 49 24 3 15 8 8 14 7 7 4 0 4 86 4 5 2 4 100 6 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 3 2 2 3 2 4 2 2 2 3 5 7 5 9 15 16 42 30 3 2 4 3 2 2 1 2 3 1 1 2 2 2 3 2 3 2 2 6 3 10 77 90 27 5 3 4 3 3 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 85 85 t 1H J 10 | 82 81 d 1H J 83 | 77 76 d 1H J 21 | 76 76 dd 1H J 22 82 | 76 75 d 1H J 75 | 74 73 m 1H | 72 71 d 2H J 11 | 42 42 td 2H J 9 57 | 37 36 tdd 1H J 37 64 75 | 32 31 t 2H J 57 | 20 19 m 2H | 19 18 m 2H | 17 16 ddd 1H J 53 64 135 | 15 14 m 2H | 10 9 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c[nH]c2cc(OC)c(Br)cc2c1=O
ir: 7 5 4 6 5 4 4 4 2 2 2 2 2 2 1 3 3 2 1 4 8 5 22 15 8 3 2 3 4 2 2 4 10 8 2 6 18 48 5 4 4 1 2 2 2 2 1 5 33 17 3 4 2 0 2 3 2 1 2 9 1 7 2 3 4 6 14 8 14 1 2 4 4 2 8 4 2 0 2 2 1 1 2 2 1 1 2 2 0 1 2 1 1 1 2 1 0 1 5 12 2 2 7 18 2 1 2 2 0 1 3 2 5 2 4 4 4 4 7 6 3 18 6 2 2 2 3 2 8 9 17 2 1 2 2 1 2 11 3 2 4 10 3 29 8 7 3 2 27 5 2 0 8 82 14 0 2 4 2 3 10 4 2 4 21 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 1 0 1 2 1 1 1 2 2 2 2 2 7 3 15 13 8 4 8 6 2 1 2 2 1 1 2 2 2 1 2 2 1 1 4 3 2 3 4 10 38 100 23 13 11 7 6 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 92 92 d 1H J 66 | 85 85 d 1H J 64 | 82 81 s 1H | 66 66 s 1H | 43 42 q 2H J 71 | 39 39 s 3H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCCN1C(=O)c2ccccc2C1=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ir: 5 3 4 4 2 6 7 15 13 13 19 13 5 7 17 4 5 6 5 4 2 5 7 4 7 5 4 5 2 3 3 8 4 6 8 16 5 4 36 34 42 8 5 16 8 8 5 7 3 4 7 4 4 1 2 2 1 2 3 5 2 6 1 3 2 1 3 6 5 2 6 3 6 3 7 7 18 3 2 5 10 3 7 5 2 2 3 13 9 4 10 36 30 8 6 11 2 3 2 5 6 5 3 2 2 1 0 1 2 2 7 5 2 1 1 1 3 3 10 6 8 4 3 5 2 2 1 2 4 3 3 2 12 6 2 2 2 1 19 2 2 1 3 2 2 2 4 10 6 21 21 40 16 7 70 5 24 41 5 4 3 2 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 4 3 1 2 8 9 1 1 1 1 1 36 5 6 2 1 0 2 2 1 1 2 7 41 3 2 1 1 2 1 1 2 2 3 6 100 8 3 1 1 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 s 1H | 82 82 s 1H | 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 70 70 s 2H | 61 60 ddt 1H J 8 15 61 | 54 54 d 1H J 60 | 49 48 d 1H J 49 | 47 47 qd 1H J 7 61 | 43 42 dttd 1H J 9 18 46 58 | 42 41 dtt 1H J 10 35 57 | 39 39 t 2H J 60 | 29 29 ddd 1H J 17 35 117 | 27 26 m 3H | 24 23 s 2H | 20 19 p 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21)c1ccccc1
ir: 6 5 4 16 18 5 4 5 12 10 5 4 4 6 4 4 6 6 31 9 4 4 7 7 5 4 4 7 5 4 7 7 9 22 56 31 5 7 6 14 5 29 8 5 5 5 4 3 6 4 5 4 6 3 4 4 3 3 3 4 3 3 4 10 4 17 13 30 47 13 8 6 4 4 3 4 3 4 8 6 4 3 4 3 3 3 3 5 7 25 9 4 8 8 5 5 5 3 5 7 8 42 5 6 5 22 0 4 7 7 3 5 7 5 4 4 5 8 4 19 28 10 15 12 12 14 9 7 4 8 11 5 5 5 7 5 7 31 10 10 28 10 12 19 17 32 12 5 5 3 10 7 6 38 8 5 4 3 3 4 5 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 5 5 12 8 6 4 3 4 7 7 9 20 26 14 100 58 8 11 10 5 3 5 5 3 2 4 5 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 79 m 2H | 76 75 m 4H | 75 74 s 1H | 55 55 s 2H | 32 31 q 2H J 99
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCN1CCc1ccc(Br)nc1
ir: 9 10 12 20 10 10 10 10 9 10 13 10 10 11 11 10 13 15 10 10 18 25 15 11 10 11 14 10 10 11 11 10 10 12 34 30 11 11 11 10 10 11 11 12 14 12 11 10 12 15 11 10 12 27 54 29 13 16 11 10 10 10 10 15 10 12 11 12 9 100 9 8 10 14 9 9 10 10 10 9 10 12 10 16 10 11 9 10 12 11 10 10 10 10 10 11 13 15 10 10 10 11 10 11 12 11 9 10 10 11 11 11 11 11 14 12 16 14 11 14 28 22 17 15 14 12 10 12 11 10 9 64 13 16 10 11 10 10 10 10 9 10 10 9 9 13 13 0 38 26 9 14 17 9 9 12 10 8 10 44 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 11 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 10 10 10 9 10 10 10 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 11 10 9 9 10 10 9 9 10 10 9 10 11 11 13 12 11 10 10 10 11 10 13 15 14 13 67 16 13 10 10 10 10 10 9 11 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 10 10 10 9 10 10 10 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 10 10 10 9 10 10; 1HNMR: 83 82 dt 1H J 8 17 | 74 73 ddt 1H J 9 18 81 | 72 72 d 1H J 80 | 38 37 m 2H | 35 34 m 2H | 30 29 tt 2H J 9 66 | 25 24 t 2H J 57 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)c1ccc(C2=CC(=O)C(C)(C)O2)cc1
ir: 3 2 6 6 3 2 1 2 3 2 1 3 3 2 1 2 2 2 1 2 2 1 13 6 2 1 1 2 3 4 3 14 3 1 1 2 2 2 3 2 2 0 1 2 2 0 1 3 2 1 2 4 2 4 100 91 3 4 3 2 3 1 1 4 3 1 5 9 3 3 2 2 1 2 2 7 8 5 8 7 2 3 4 3 11 23 10 4 1 1 2 2 1 1 2 2 1 2 3 3 1 1 2 1 1 1 2 8 8 5 4 3 5 9 3 3 1 5 10 8 2 2 2 1 1 2 3 7 6 27 34 5 2 1 2 1 1 2 3 2 1 2 2 1 2 5 17 20 5 3 2 2 4 4 3 3 8 17 8 3 1 2 2 3 5 2 1 1 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 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 2 1 1 2 1 1 1 2 1 1 4 3 3 1 2 2 2 1 2 2 3 4 2 9 16 16 48 63 12 6 3 5 3 1 3 3 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 m 2H | 77 76 m 3H | 62 62 s 1H | 28 28 s 3H | 15 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2ccc(Cl)c(Cl)c2)c1
ir: 3 5 3 10 7 11 5 20 12 4 3 11 22 11 2 12 10 5 5 6 10 26 9 14 7 4 4 5 4 8 10 26 21 18 28 21 15 21 30 51 100 64 10 13 8 5 8 52 15 19 14 7 9 5 6 8 9 5 15 6 4 1 5 47 20 5 11 20 13 19 12 6 5 3 7 4 6 15 5 6 4 5 17 4 17 5 6 4 2 8 14 7 32 7 9 20 18 10 10 7 11 3 2 2 5 6 12 29 2 7 7 4 2 7 4 5 2 4 6 7 9 6 11 4 5 6 24 27 21 22 15 2 3 6 6 26 7 16 7 15 39 17 19 74 37 46 22 51 54 17 9 10 7 7 6 15 2 4 3 3 2 4 4 0 2 3 2 0 1 3 1 0 2 3 1 0 2 3 1 1 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 4 3 1 2 4 5 3 5 5 3 7 6 19 8 20 40 63 79 13 5 12 8 4 3 3 3 2 3 3 5 3 2 3 4 5 5 5 14 15 20 75 33 20 6 4 2 4 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 79 79 d 1H J 22 | 77 76 m 2H | 75 75 d 1H J 82 | 75 74 m 2H | 72 72 m 1H | 71 70 t 1H J 61 | 42 41 dt 1H J 31 53 | 39 39 dd 1H J 13 108 | 38 37 ddd 1H J 32 62 123 | 36 36 dd 1H J 32 108 | 36 35 ddd 1H J 32 62 123 | 29 29 s 2H | 24 24 m 2H | 15 14 dtd 1H J 44 53 66 | 12 11 m 2H | 9 8 ddd 1H J 53 61 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ccc2c1CCc1c-2n(C)c2ccc(O)cc12
ir: 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 4 2 3 3 2 1 2 2 1 2 2 2 3 5 7 3 2 2 2 2 1 1 3 2 1 2 3 2 1 2 4 3 1 6 15 8 10 15 6 2 1 2 3 2 1 2 3 2 1 7 7 4 0 2 3 2 1 4 4 1 0 3 6 0 81 84 6 7 4 2 2 2 4 2 2 2 2 3 3 5 4 3 2 2 2 3 3 2 2 2 2 2 2 3 2 3 3 3 2 2 3 5 3 2 5 5 3 3 4 3 2 2 2 2 2 3 3 2 2 1 2 2 2 2 2 3 2 2 4 5 2 2 4 4 3 5 3 4 2 2 2 2 2 2 2 3 4 2 2 2 1 2 3 3 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 1 1 2 2 1 2 2 2 2 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 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 2 3 3 4 3 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 3 6 5 3 8 15 11 9 11 8 6 3 10 100 69 13 3 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 83 83 s 1H | 71 71 d 1H J 83 | 70 69 d 1H J 22 | 68 68 m 1H | 68 67 dd 1H J 20 82 | 57 57 d 1H J 49 | 38 37 s 3H | 36 35 d 3H J 7 | 31 30 m 2H | 30 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc(NC(=O)Cc2cccc(OC)c2)cc(N)c1C#N
ir: 6 22 15 9 13 11 10 4 3 4 6 2 1 2 2 2 2 1 1 1 2 2 1 2 1 1 2 2 3 5 3 2 11 14 9 8 5 4 9 2 3 5 5 4 10 14 3 6 3 2 1 1 4 4 7 3 1 1 1 1 1 1 1 5 5 7 7 13 3 2 1 1 1 1 0 1 4 1 1 2 4 2 2 1 0 0 0 1 1 4 14 11 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 2 1 0 1 1 1 5 2 3 3 2 1 1 0 1 1 1 1 1 2 1 1 2 1 1 3 1 0 0 0 0 1 2 11 4 1 1 1 3 20 18 4 3 11 15 11 7 7 26 41 5 1 2 4 53 8 4 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 2 1 1 1 1 2 4 1 7 4 2 7 6 5 3 1 1 1 1 1 0 1 0 1 1 0 1 0 1 2 7 10 3 1 1 2 7 18 8 1 2 1 13 100 8 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 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; 1HNMR: 72 72 m 2H | 69 68 m 2H | 68 67 s 1H | 47 46 s 2H | 44 43 q 2H J 66 | 38 38 s 3H | 38 37 t 2H J 8 | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(CC(C)(C)O)(OCC)OCC
ir: 7 11 11 10 6 9 8 15 17 25 13 13 0 12 19 18 14 21 7 6 6 9 12 11 4 4 5 3 2 3 3 2 2 4 3 2 2 3 3 2 2 4 3 2 3 4 3 2 2 3 3 2 3 3 2 1 5 8 4 2 10 13 5 6 8 5 3 3 3 4 5 4 10 7 10 9 11 6 7 5 7 16 29 59 10 8 4 9 7 12 11 8 14 7 8 48 31 15 14 20 8 12 59 34 73 66 32 8 6 7 4 5 6 6 6 7 7 7 6 10 7 4 3 4 6 3 2 9 17 18 11 8 6 8 21 26 8 4 4 3 2 3 3 3 3 2 2 3 2 2 2 3 2 2 2 2 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 6 5 4 3 4 3 3 5 8 3 2 4 4 10 27 15 11 6 2 4 6 5 7 84 100 44 7 4 3 3 3 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3; 1HNMR: 37 36 q 7H J 62 | 35 34 s 1H | 20 19 s 2H | 14 13 s 5H | 12 11 t 10H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCCN(C)c1ccccn1
ir: 2 4 3 6 7 5 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 2 2 1 0 1 1 1 2 2 1 1 2 5 4 1 2 5 21 25 6 3 3 2 9 9 3 3 3 1 25 16 17 23 26 14 7 2 2 1 5 3 37 28 6 6 4 2 7 3 2 3 2 8 5 5 3 3 7 4 8 2 7 5 1 1 3 4 5 8 2 1 1 1 2 3 4 2 1 2 10 10 3 1 2 2 0 2 9 15 97 89 10 12 17 6 3 3 1 5 3 2 2 4 3 3 4 2 6 9 7 7 14 12 14 6 4 26 21 17 31 9 1 7 4 2 1 3 5 7 5 2 3 3 6 4 3 5 18 33 10 4 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 4 8 34 13 11 2 3 2 2 2 2 1 1 1 1 1 1 1 1 3 13 64 100 46 14 4 3 1 1 1 1 1 1 0 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 16 45 | 76 76 td 1H J 17 72 | 68 68 dd 1H J 14 71 | 67 66 ddd 1H J 14 45 73 | 37 36 t 2H J 61 | 31 31 s 2H | 29 28 td 2H J 40 61 | 25 25 d 3H J 50 | 22 21 dtd 1H J 40 50 89
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccc(F)cc2)nc1CCO
ir: 1 2 2 2 2 2 2 2 4 13 9 1 4 2 3 3 7 5 5 1 1 9 3 2 2 1 0 4 6 2 1 2 13 9 16 2 8 9 2 1 2 1 2 2 1 1 2 1 2 9 3 5 4 3 6 79 56 13 16 14 4 3 3 7 6 2 2 1 16 24 2 3 3 3 2 1 1 2 6 13 3 2 5 2 20 12 17 16 11 27 99 72 22 8 2 6 2 3 2 3 1 10 5 5 13 6 4 3 4 6 8 7 2 2 2 2 4 11 10 18 19 14 8 4 2 11 40 27 3 3 3 9 13 2 1 1 1 0 1 1 1 1 0 2 11 7 1 100 72 21 4 6 15 4 1 2 1 1 1 0 1 3 3 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 4 4 3 2 3 3 3 3 4 4 4 2 4 7 17 12 5 86 23 19 6 15 14 5 3 23 19 5 1 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 81 80 m 2H | 74 74 m 2H | 39 38 m 3H | 29 28 m 2H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(c1ccccc1)N1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)CC1
ir: 5 11 9 6 10 13 11 11 2 8 7 4 4 5 3 3 2 5 4 1 3 3 7 10 4 3 7 6 5 12 11 23 17 27 8 5 6 3 10 17 56 100 71 49 38 18 7 4 7 8 4 2 4 3 2 4 5 6 2 5 15 28 4 8 4 8 14 4 11 19 3 3 2 1 2 11 7 12 7 6 4 10 23 43 40 13 11 4 10 10 6 5 8 5 1 3 7 8 3 13 8 12 14 40 17 3 2 1 2 2 2 5 8 5 0 3 9 8 8 11 6 3 1 3 5 4 1 3 4 4 0 3 5 5 2 26 15 3 2 5 5 13 8 41 41 48 83 13 6 8 10 24 51 16 13 3 2 3 2 3 18 3 1 5 20 2 1 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 2 2 3 2 4 4 19 17 98 59 56 22 5 1 5 6 3 0 2 4 1 0 2 3 3 0 2 2 2 4 5 9 7 42 36 7 2 2 1 3 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 83 83 s 1H | 78 78 m 2H | 77 77 m 2H | 74 73 m 7H | 72 71 tt 1H J 13 69 | 69 69 m 2H | 46 45 s 1H | 37 37 s 2H | 33 32 m 6H | 32 31 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cn1c(=O)sc2ncc(Cl)cc21
ir: 3 3 2 3 6 2 2 7 12 8 6 14 27 25 9 8 12 11 15 65 49 100 18 25 26 12 3 8 3 2 2 3 8 3 2 4 23 25 2 4 4 3 4 8 5 1 7 14 5 2 3 4 2 1 2 4 2 0 2 3 2 1 2 5 2 1 3 6 10 1 3 5 2 1 4 6 8 24 65 92 58 3 8 9 8 14 11 14 9 3 5 3 2 2 6 9 5 5 5 4 2 2 4 3 1 2 3 2 2 3 40 36 0 3 11 6 3 5 6 12 16 6 3 1 1 2 6 56 46 7 9 5 9 6 10 4 1 3 3 2 0 6 11 28 50 10 7 2 3 3 3 3 3 14 9 2 1 2 2 4 1 2 2 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 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 3 2 2 3 3 2 2 3 2 2 2 7 11 6 6 4 35 3 2 3 3 0 3 2 7 21 15 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 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 85 85 d 1H J 16 | 82 82 d 1H J 16 | 50 49 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCN2c3ccccc3Cc3ccccc3[C@H]2C1
ir: 4 4 4 5 3 10 16 19 4 8 17 8 5 2 3 10 3 1 1 4 1 1 1 1 4 1 4 2 1 0 0 2 1 0 1 1 1 1 0 3 5 7 51 20 2 3 2 4 1 2 1 2 1 2 1 0 5 2 1 0 1 2 13 2 1 2 1 1 2 6 6 5 5 7 13 2 1 2 6 1 1 2 2 5 4 2 0 2 7 16 17 16 1 2 2 6 8 3 4 3 3 3 1 1 6 2 1 1 1 1 3 3 5 10 4 3 15 5 14 18 6 7 5 9 4 3 1 3 4 13 15 6 7 3 2 1 3 39 17 9 3 4 14 7 31 8 2 3 21 14 8 47 2 1 1 2 1 1 1 3 3 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 2 3 1 1 1 2 2 3 3 2 3 4 3 3 6 5 11 21 100 41 15 4 3 1 1 1 0 1 1 1 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 71 m 2H | 71 71 m 1H | 70 70 ddt 1H J 9 18 80 | 70 69 td 1H J 13 78 | 67 66 dd 1H J 14 76 | 49 48 ddd 1H J 7 33 61 | 42 42 dd 1H J 33 110 | 41 41 d 1H J 66 | 41 40 m 2H | 40 40 dd 1H J 60 110 | 40 39 m 2H | 39 38 m 1H | 39 39 s 0H | 37 36 m 2H | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCN/C(=C\C)C(=O)OC
ir: 2 5 5 4 2 7 8 30 100 20 15 15 11 7 6 7 4 5 5 5 4 1 1 2 2 2 2 4 5 5 13 6 4 4 1 1 3 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 3 3 4 2 2 1 2 4 2 2 2 2 5 6 9 4 4 5 3 2 1 1 1 1 1 1 1 1 1 1 3 14 16 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 3 2 3 3 3 6 3 4 3 6 3 5 6 2 17 29 16 12 14 8 6 14 6 3 2 1 1 1 2 4 11 7 4 7 2 62 80 19 27 16 8 4 2 2 0 1 1 1 0 1 2 1 1 2 9 2 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 3 1 1 2 2 1 2 1 2 3 10 5 5 2 5 9 9 8 2 2 3 2 3 6 3 4 1 1 1 2 1 1 1 2 3 2 2 11 14 10 23 15 36 22 27 10 14 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 68 68 t 1H J 36 | 63 62 q 1H J 58 | 58 56 m 1H | 52 51 ddt 1H J 12 23 161 | 50 49 m 1H | 38 38 s 2H | 33 32 tdd 2H J 9 36 57 | 23 22 dtt 2H J 14 57 71 | 17 17 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)C(=CNc1ccccc1OC)C(=O)OCC
ir: 3 3 4 6 9 5 2 4 2 2 3 4 2 3 2 2 1 2 2 1 2 1 2 1 1 1 1 2 1 2 2 3 8 7 8 3 12 4 3 8 7 5 24 100 28 24 6 8 5 12 12 22 6 2 2 3 1 2 3 3 2 2 4 3 2 2 2 1 2 3 7 3 2 2 4 4 7 1 1 1 1 1 2 1 1 1 1 5 2 1 0 0 1 1 1 1 1 1 10 1 1 1 1 1 2 2 1 3 2 2 2 15 16 10 3 4 3 2 2 9 5 4 2 3 1 2 2 4 3 6 4 4 7 18 11 16 10 11 28 3 2 3 43 6 4 1 1 15 4 1 72 26 3 1 1 3 1 1 1 3 1 1 1 1 1 2 13 18 9 3 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 1 0 0 0 1 0 1 1 1 1 1 1 2 2 1 2 1 1 2 3 2 10 8 4 8 28 23 10 3 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 1 2 14 9 18 13 18 24 18 16 15 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 87 86 d 1H J 75 | 82 82 d 1H J 77 | 73 73 dd 1H J 13 80 | 70 70 td 1H J 11 79 | 69 69 dd 1H J 13 82 | 68 67 td 1H J 13 80 | 43 43 q 2H J 71 | 40 39 s 2H | 29 29 t 2H J 67 | 17 16 h 2H J 71 | 13 12 t 3H J 71 | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOCc1ccccc1
ir: 2 1 1 2 1 1 1 0 3 1 0 0 1 0 0 0 1 0 1 0 1 6 2 4 1 3 1 1 2 2 9 10 3 3 1 2 3 1 1 29 32 4 2 1 4 0 1 1 1 0 1 1 8 1 1 1 2 2 1 2 2 3 2 5 4 16 13 14 11 14 8 4 9 6 2 2 1 2 6 1 0 1 0 1 1 1 0 1 7 6 1 3 1 1 1 1 0 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 3 6 1 2 1 0 1 1 1 1 0 1 1 0 2 5 16 5 14 7 3 2 4 6 20 2 3 3 2 1 0 1 9 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 3 3 2 3 4 8 4 11 8 8 100 16 10 6 12 4 5 4 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 58 57 m 1H | 53 52 m 1H | 52 51 ddt 1H J 13 24 170 | 45 44 d 2H J 9 | 41 41 dt 2H J 15 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)NC(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ir: 2 1 0 2 2 3 2 2 1 0 1 2 3 2 1 1 13 5 4 4 3 4 1 6 3 4 1 11 22 8 2 5 1 4 5 8 75 6 7 9 29 9 26 2 24 2 4 2 2 0 2 6 2 3 2 3 2 1 2 4 3 8 7 3 6 1 4 1 4 1 5 3 2 2 6 16 29 26 20 2 2 18 1 1 2 1 1 5 2 5 2 5 2 4 2 4 2 1 2 3 4 4 4 9 6 8 8 6 7 4 19 9 5 8 18 18 6 8 12 10 8 8 7 8 4 4 5 6 1 18 5 11 8 7 6 7 6 3 8 19 25 4 4 19 46 9 6 11 42 4 1 1 2 1 1 1 1 1 2 3 73 4 1 1 1 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 0 0 1 1 0 0 0 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 1 0 1 1 0 1 1 1 1 3 11 2 6 5 12 8 11 9 7 4 9 6 32 100 21 39 12 2 2 2 1 1 1 1 1 1 0 1 1 2 1 1 1 0 0 1 1 3 3 10 90 12 3 2 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 63 63 s 1H | 57 57 p 1H J 9 | 27 26 m 1H | 25 22 m 4H | 21 20 m 2H | 19 16 m 5H | 16 13 m 7H | 13 13 s 7H | 13 12 dddd 1H J 51 64 82 131 | 11 10 m 8H | 10 9 dddd 1H J 26 44 71 82 | 8 8 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(O)C1CC2COCC(C1)N2
ir: 8 4 6 6 3 5 6 10 11 7 2 4 3 4 2 3 2 3 2 3 3 2 1 3 4 4 2 3 4 4 4 2 2 1 1 1 1 1 6 4 1 3 11 4 2 2 4 2 2 2 3 2 3 7 17 9 11 95 80 10 1 0 6 3 1 0 2 3 4 6 4 2 1 2 16 20 9 5 2 2 4 3 4 1 5 5 7 13 88 100 27 10 4 3 6 12 9 5 3 3 1 1 3 3 1 7 11 9 13 32 14 23 26 8 7 4 3 3 7 17 10 3 14 11 7 4 6 13 3 3 2 1 1 1 1 1 2 2 2 1 1 5 3 0 28 11 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 3 2 2 2 4 3 4 3 9 7 2 2 2 1 1 2 3 2 1 33 40 6 1 2 2 1 1 1 2 1 0 20 30 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; 1HNMR: 39 39 dd 1H J 51 84 | 38 37 m 5H | 35 34 dd 2H J 29 114 | 34 34 d 1H J 53 | 31 31 dtt 2H J 29 61 71 | 29 28 t 1H J 71 | 24 23 dp 1H J 77 85 | 20 19 ddd 2H J 61 78 139 | 18 17 ddd 2H J 61 77 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C)C(=O)OC(C)(C)C
ir: 0 2 2 2 2 2 2 2 2 2 5 9 7 3 2 3 2 3 2 2 6 4 7 2 4 4 4 4 9 18 31 6 6 7 12 6 6 4 7 12 32 5 1 1 1 1 1 1 1 2 2 4 2 1 1 1 1 0 2 1 1 4 2 1 1 2 6 1 1 3 4 2 2 1 1 2 2 2 1 2 4 1 1 1 1 0 1 1 1 2 2 1 1 4 6 7 3 39 4 6 4 2 2 2 3 3 3 2 2 6 5 3 2 2 1 2 2 4 11 3 1 6 9 3 3 2 3 4 4 5 4 5 5 2 3 9 3 1 1 1 2 1 11 32 67 59 12 21 6 41 3 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 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 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 5 3 1 1 3 7 3 6 3 12 7 6 32 10 5 13 100 9 5 3 1 1 1 1 1 1 1 1 1 1 1 1 2 4 6 10 18 15 20 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 86 | 74 73 m 5H | 54 53 d 1H J 82 | 51 51 s 2H | 46 45 d 1H J 51 | 45 44 dq 1H J 63 86 | 40 39 tdd 1H J 50 63 71 | 38 37 dq 1H J 69 82 | 26 25 dd 1H J 73 173 | 24 23 dd 1H J 72 173 | 18 16 m 2H | 14 14 s 7H | 14 13 m 4H | 10 9 d 3H J 65 | 9 9 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)Nc1c(-c2ncc(C#Cc3ccccn3)s2)nc2sccn12
ir: 4 3 2 4 10 21 23 7 4 4 5 6 11 9 4 4 7 8 6 3 5 29 8 2 4 5 4 2 6 9 4 8 6 9 18 21 19 6 10 18 6 7 13 17 16 8 33 9 14 9 21 7 6 4 6 7 8 14 22 15 11 44 35 100 27 3 5 4 3 3 3 3 3 4 13 6 8 19 6 10 21 3 3 4 4 5 10 12 5 8 5 4 10 8 7 9 12 11 4 6 5 4 4 12 1 8 3 2 5 23 11 7 4 11 13 6 9 5 6 24 34 13 9 3 4 5 7 9 10 21 23 16 38 15 44 4 18 5 3 3 3 4 4 10 11 13 23 14 5 22 6 4 3 4 2 3 2 3 2 2 2 3 6 16 4 2 2 2 2 3 5 5 6 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 0 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 3 3 3 3 4 5 9 4 4 3 3 3 4 6 3 7 12 14 22 44 37 38 72 57 17 23 37 5 2 4 5 3 3 3 4 3 3 4 3 4 7 9 28 31 11 2 4 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 dd 1H J 17 40 | 82 82 s 1H | 77 77 td 1H J 16 64 | 75 74 dd 1H J 13 65 | 74 74 d 1H J 60 | 73 73 m 2H | 61 61 s 1H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC[C@@H](COC2CCCCO2)N1
ir: 4 2 3 6 8 4 6 3 4 5 3 4 6 3 4 7 5 5 4 4 14 20 30 31 29 7 11 11 5 4 3 2 2 1 3 1 1 2 1 2 2 0 3 2 4 5 4 2 4 7 2 1 2 4 1 1 2 3 3 1 3 3 2 1 1 2 2 2 3 4 11 7 7 6 8 12 8 4 3 3 8 7 4 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 4 6 4 3 4 3 7 5 4 14 9 1 2 5 2 2 4 5 2 12 9 5 4 4 3 3 4 1 3 3 2 1 1 1 0 0 1 1 0 0 1 1 1 1 2 3 2 28 100 17 17 5 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 1 1 2 2 2 3 4 3 3 3 2 3 13 15 7 3 2 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 1 2 3 2 4 11 18 5 30 18 13 3 2 2 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 66 d 1H J 67 | 47 47 t 1H J 32 | 38 37 m 3H | 36 35 m 2H | 25 24 dddd 1H J 17 51 70 150 | 24 23 ddd 1H J 52 71 149 | 22 21 dddd 1H J 31 52 72 137 | 18 17 m 2H | 17 16 m 1H | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CCC#Cc2ccc(-c3ccc(Cl)cc3)cn2)nn1
ir: 15 12 11 19 15 9 7 9 6 6 4 3 2 3 3 19 11 5 2 0 0 1 2 1 1 2 3 6 8 7 10 20 10 5 3 3 3 4 3 7 1 1 1 1 2 2 3 6 6 3 3 12 42 45 100 11 11 4 4 1 3 6 2 1 1 3 6 4 10 8 18 9 3 3 1 3 4 5 1 2 14 4 1 1 1 2 3 21 3 4 6 4 6 5 8 12 6 3 2 1 2 1 1 1 2 2 5 23 58 9 8 11 5 7 6 7 3 5 6 14 10 9 39 9 6 3 12 6 7 10 9 7 7 4 4 11 70 17 3 5 8 16 3 7 5 42 10 6 14 7 9 27 14 9 4 2 4 20 29 4 1 2 2 4 12 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 0 2 6 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 3 4 2 2 2 1 3 2 4 3 9 20 37 28 37 60 29 12 9 5 6 4 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 m 2H | 80 79 dd 1H J 19 69 | 77 76 d 1H J 81 | 76 75 m 2H | 75 74 d 1H J 69 | 74 73 m 2H | 38 38 s 3H | 30 29 d 1H J 26 | 30 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCC(Nc2cc(Nc3cccc(Cl)c3)nc3c(C=C4NC(=O)NC4=O)cnn23)CC1
ir: 6 7 5 5 6 5 5 7 7 6 8 9 7 5 4 5 5 9 5 5 7 5 4 10 19 23 12 9 6 5 5 7 9 5 6 5 6 4 6 6 5 9 12 8 28 12 11 17 10 7 20 100 7 6 5 3 4 5 4 4 4 5 4 4 5 6 8 13 5 9 8 39 11 14 5 6 5 6 5 6 4 6 6 5 5 9 4 4 4 5 4 4 4 4 4 5 4 8 23 9 4 6 5 5 4 8 12 5 7 5 4 6 6 9 7 8 7 10 24 7 10 13 6 10 6 5 6 6 4 6 4 5 6 6 5 5 5 5 4 11 15 10 7 7 10 6 6 8 4 5 7 11 7 10 4 8 21 6 4 3 4 11 5 64 39 0 5 10 4 3 4 5 4 3 4 5 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 8 6 6 12 10 10 6 5 5 5 5 5 5 5 4 4 5 5 4 9 4 5 5 6 7 12 11 69 34 21 15 6 6 5 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 90 90 s 1H | 85 84 s 1H | 84 83 s 1H | 79 79 s 1H | 75 74 t 1H J 21 | 74 73 ddd 1H J 14 21 80 | 73 72 m 1H | 72 71 ddd 1H J 13 22 77 | 68 67 d 1H J 68 | 56 55 s 1H | 41 40 dt 1H J 37 68 | 29 28 ddd 2H J 54 81 126 | 28 27 ddd 2H J 54 82 126 | 26 25 q 2H J 70 | 21 20 m 2H | 18 17 m 2H | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(N1C(=O)c2ccccc2C1=O)C(F)(F)CCC=O
ir: 3 2 3 1 4 3 1 0 1 1 1 1 2 2 2 3 3 2 0 1 0 0 0 1 1 1 0 4 7 27 4 1 1 0 3 8 2 6 73 67 48 100 22 1 2 3 5 8 2 2 1 1 2 3 2 0 13 12 16 3 3 7 4 5 6 6 8 12 1 2 3 7 9 6 12 8 8 3 1 1 1 0 4 3 1 0 1 2 3 6 5 1 4 3 1 0 0 0 2 1 1 1 2 2 5 2 5 3 1 1 3 1 1 2 7 8 14 25 11 10 12 20 21 17 6 3 2 1 4 4 23 7 47 11 7 3 7 14 17 8 3 1 1 1 2 1 2 6 9 12 2 2 5 4 20 16 13 2 3 5 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 2 1 1 2 3 6 3 3 1 2 4 5 15 4 6 8 10 18 46 10 4 7 4 4 4 5 2 4 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 97 tt 1H J 9 75 | 79 79 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 58 57 dddd 1H J 26 52 106 153 | 54 53 ddd 1H J 16 24 154 | 53 52 ddd 1H J 16 23 99 | 48 47 tdt 1H J 24 81 124 | 24 23 m 2H | 23 22 m 1H | 22 21 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(=O)NC(C)(C)C)c4)c(Cl)c3)c21
ir: 3 1 0 2 4 5 2 6 5 3 2 10 7 4 1 5 9 6 0 6 8 10 4 7 5 8 7 12 7 1 4 5 9 7 5 14 11 5 4 79 84 16 9 32 11 7 4 0 7 5 3 2 2 5 9 5 6 3 3 2 2 1 5 3 3 3 4 10 5 2 3 3 2 3 2 2 2 2 6 3 2 4 3 2 11 3 2 2 2 2 3 3 2 3 4 7 5 3 5 4 7 16 16 8 9 24 7 2 1 4 3 3 1 8 3 4 2 9 7 7 5 4 4 3 2 2 7 3 3 4 4 6 2 2 2 2 2 3 6 32 15 8 7 7 44 12 12 50 14 8 9 13 6 10 9 47 28 21 13 1 2 3 10 10 4 4 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 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 4 2 1 2 2 2 1 3 3 3 1 4 10 10 4 16 54 56 21 10 3 6 3 2 2 2 2 2 2 2 3 5 6 2 4 3 2 3 8 7 31 100 32 14 15 4 3 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H | 82 82 s 1H | 75 75 ddd 1H J 11 20 80 | 75 73 m 5H | 73 73 dd 1H J 22 86 | 71 71 ddd 1H J 11 18 80 | 70 69 d 1H J 86 | 66 65 s 1H | 64 64 d 1H J 51 | 42 42 td 2H J 9 40 | 29 28 t 2H J 39 | 20 20 s 3H | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(-c2cncnc2)nn(-c2cccc(OC(F)(F)F)c2)c1C1CC1
ir: 10 9 4 4 6 4 2 4 6 5 5 5 4 3 4 6 3 2 3 3 3 3 3 5 7 11 18 4 9 5 4 9 7 4 17 100 49 9 6 5 15 20 6 4 4 6 4 10 18 3 4 4 4 2 2 3 2 4 4 3 7 1 2 3 2 3 3 6 36 3 3 3 4 1 6 5 21 4 4 9 10 5 2 6 2 11 10 21 5 2 3 4 4 8 30 11 6 20 26 36 19 45 23 4 2 2 3 3 4 4 5 30 32 30 8 6 3 5 3 3 2 2 4 3 4 12 7 3 2 2 2 2 2 16 4 2 14 10 4 2 16 14 4 3 4 3 6 3 2 4 9 12 17 6 28 33 18 10 4 30 49 13 9 2 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 3 2 4 6 4 3 5 11 62 20 5 8 8 6 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 93 93 d 2H J 16 | 92 91 t 1H J 17 | 76 75 t 1H J 21 | 75 75 ddd 1H J 13 22 73 | 75 74 dd 1H J 66 73 | 73 72 ddd 1H J 12 21 66 | 43 42 q 2H J 64 | 21 21 p 1H J 60 | 14 14 t 3H J 64 | 9 8 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC(C)(C)CBr
ir: 3 2 2 2 2 3 2 2 2 2 1 2 3 3 2 2 2 2 2 2 2 3 10 3 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 9 3 3 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 3 4 3 3 3 1 4 4 2 2 2 4 3 3 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 3 3 3 4 2 9 8 6 2 2 2 2 2 3 4 5 4 5 4 5 15 11 4 5 4 7 7 7 3 2 2 2 1 2 2 2 1 2 3 0 21 100 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 4 2 3 3 3 2 3 9 13 6 2 2 2 2 2 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 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 35 35 s 2H | 20 20 s 3H | 15 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(N)ccc2cn[nH]c12
ir: 12 20 11 4 2 4 6 5 5 17 17 19 24 26 15 20 20 11 7 6 8 12 11 5 7 6 4 2 3 4 5 3 4 5 7 6 3 5 5 2 4 6 13 7 25 22 16 7 6 4 3 2 5 6 8 10 8 5 4 3 3 5 3 2 3 4 7 2 4 5 3 3 4 4 4 2 5 6 3 2 5 6 11 6 5 8 39 7 5 10 11 4 34 22 2 3 3 3 2 3 4 4 2 8 25 11 1 4 5 3 0 13 5 4 2 4 4 3 2 3 5 3 2 3 4 3 2 6 4 3 4 6 4 3 2 4 9 7 5 5 8 23 0 4 4 3 2 3 4 3 3 4 4 7 9 11 39 27 11 8 5 3 14 47 9 2 3 4 3 2 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 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 3 3 5 5 3 3 4 4 3 4 7 10 9 6 9 8 2 3 4 3 2 3 4 2 2 3 4 2 2 6 75 81 4 3 3 3 5 11 27 28 13 23 14 100 26 6 4 2 3 4 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 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; 1HNMR: 85 84 d 1H J 20 | 80 80 dd 1H J 19 87 | 67 66 d 1H J 88 | 64 64 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=CSCC12)c1csc(N)n1
ir: 9 8 5 14 12 10 4 17 5 19 9 10 19 27 10 25 15 11 11 12 14 19 43 18 2 23 22 28 19 13 9 7 5 9 13 16 25 10 11 37 22 14 16 43 13 13 4 10 10 4 8 4 5 4 6 4 8 3 3 2 5 8 4 2 6 4 4 3 4 4 14 9 18 7 6 3 5 7 40 12 8 5 4 12 22 11 4 4 5 7 5 11 8 4 4 3 5 4 3 5 5 3 6 3 3 7 3 2 4 4 0 27 5 7 10 43 22 7 6 7 5 2 4 3 3 3 4 5 21 26 12 17 11 5 2 37 3 4 5 7 22 37 8 23 8 2 1 11 25 92 18 34 100 27 6 2 2 6 8 1 3 3 3 4 3 4 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 2 3 2 2 2 3 3 2 2 3 2 6 15 4 8 7 4 12 5 2 3 19 6 2 2 3 6 11 37 3 2 5 6 5 9 4 9 55 24 10 9 13 49 19 13 5 6 26 58 17 4 7 5 4 3 6 5 3 6 7 4 3 3 3 2 2 2 3 2 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 82 d 1H J 68 | 70 70 s 1H | 69 68 t 1H J 9 | 61 61 s 2H | 51 50 dd 1H J 46 66 | 46 45 q 1H J 42 | 40 39 s 3H | 34 34 ddd 1H J 9 41 126 | 32 31 ddd 1H J 9 41 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(=N\O)c1cccn1C
ir: 5 12 18 24 10 14 46 17 7 8 2 6 7 12 3 3 0 2 1 1 0 2 2 6 8 3 1 1 1 5 10 9 3 1 4 7 7 2 2 1 2 2 16 21 11 16 10 4 7 3 1 0 1 2 1 1 1 1 1 0 1 2 1 2 4 2 1 1 1 5 6 2 6 21 12 11 15 7 3 2 6 8 4 4 12 3 2 2 1 1 2 1 6 4 1 2 4 9 3 11 8 3 1 1 1 1 0 1 1 1 2 4 5 3 4 1 2 2 1 1 3 1 1 1 1 0 1 2 3 2 1 4 11 100 22 6 1 3 3 2 2 0 11 32 2 1 1 1 1 1 4 6 3 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 2 1 2 5 11 3 3 3 11 9 10 11 6 4 4 44 15 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 70 70 ddd 1H J 9 18 50 | 68 67 dd 1H J 16 60 | 63 62 dd 1H J 50 60 | 44 43 q 2H J 71 | 39 38 d 3H J 7 | 14 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nnc(C)n1-c1ccccc1C
ir: 3 6 11 23 36 5 18 18 11 9 7 13 12 8 4 3 4 2 2 7 19 7 4 3 3 2 4 2 2 1 1 3 6 6 5 10 14 36 5 5 6 20 100 14 6 2 3 4 2 0 1 2 2 0 2 3 2 1 2 3 1 2 4 8 5 8 4 5 7 10 12 7 8 5 21 12 4 4 4 3 1 2 3 5 3 3 4 19 21 9 6 5 1 2 2 2 1 1 3 2 1 4 15 38 6 15 36 17 10 6 5 4 5 10 13 10 4 6 5 3 1 2 3 3 3 3 5 7 14 10 17 15 46 6 3 1 3 12 33 30 21 20 6 11 29 39 20 4 7 13 4 1 2 9 5 1 1 2 2 3 4 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 5 4 5 3 2 3 5 6 3 4 11 4 8 9 9 18 13 53 35 38 11 11 6 4 3 4 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 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 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 2 1 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; 1HNMR: 75 75 dd 1H J 14 64 | 74 73 td 1H J 13 67 | 73 73 td 1H J 15 70 | 73 72 dp 1H J 8 69 | 45 44 q 2H J 64 | 25 25 s 2H | 23 23 d 3H J 7 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1CC=NC(C#N)=C(N)C#N
ir: 4 9 1 4 6 7 9 8 4 2 1 3 1 1 1 2 1 1 0 1 2 3 1 1 2 3 10 4 2 2 1 2 1 1 1 1 1 1 1 2 3 6 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 0 1 1 1 0 2 2 18 16 2 1 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 1 2 4 1 1 1 1 1 1 1 1 6 2 5 8 1 0 1 1 1 1 0 1 1 1 2 3 2 9 5 2 2 1 1 2 2 1 1 3 1 17 2 1 1 1 9 3 5 1 0 0 1 1 1 0 0 0 1 6 1 12 1 1 1 1 1 3 11 30 3 3 3 29 13 2 2 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 1 3 1 1 1 2 2 1 1 1 1 3 4 2 7 7 2 1 1 0 0 1 2 0 0 1 1 0 0 1 1 1 30 22 0 1 1 0 0 1 1 1 1 1 10 100 4 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 t 1H J 67 | 78 78 q 2H J 9 | 57 57 s 2H | 37 36 d 2H J 67 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(CCc2nc3c(C)ncc(C)n3n2)nc1N1CCCC1
ir: 3 4 7 4 4 5 6 3 0 2 4 1 1 3 5 5 3 3 5 2 0 2 3 1 2 3 4 1 1 3 5 2 3 3 4 3 7 7 11 7 6 9 15 3 16 14 6 6 3 7 2 2 7 5 4 8 13 8 5 5 7 23 10 4 5 9 7 9 8 8 8 11 7 6 3 3 4 4 7 10 13 25 9 6 8 7 5 3 5 14 5 4 10 8 6 5 8 7 4 7 9 15 30 22 17 55 21 21 36 17 18 51 40 36 20 16 17 36 55 32 31 11 13 16 21 8 3 14 11 20 24 14 7 7 9 7 10 7 2 3 4 2 2 7 21 11 1 3 2 0 1 3 2 1 2 3 2 0 1 2 2 1 2 4 2 0 1 3 2 1 9 18 2 0 2 3 2 1 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 0 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 3 2 2 6 4 5 4 11 8 14 6 21 18 20 13 22 32 11 20 15 37 100 85 41 50 17 30 14 10 7 7 8 6 1 3 3 2 1 2 2 1 1 3 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 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 83 q 1H J 16 | 41 40 q 2H J 57 | 38 37 m 4H | 33 32 dd 2H J 58 65 | 31 31 m 2H | 27 26 s 2H | 26 26 d 3H J 15 | 20 20 p 4H J 21 | 17 16 t 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cnc(N)c(-c3ccc(N)cc3)c2)cn1
ir: 27 9 14 9 8 4 19 13 6 4 8 5 3 6 6 14 5 5 2 4 4 3 3 5 2 3 3 3 3 3 2 2 3 6 4 5 3 5 16 33 2 4 5 2 4 4 3 2 2 2 2 1 2 2 8 28 16 7 3 3 2 3 2 4 2 4 3 2 5 3 2 2 2 4 2 2 2 3 8 2 2 3 1 1 1 1 2 2 11 3 17 3 3 1 1 1 5 6 3 5 2 1 1 1 2 2 16 1 1 1 2 4 1 1 2 1 3 2 1 7 5 2 2 1 2 1 2 1 2 2 2 3 7 2 1 2 1 1 1 1 2 1 1 2 5 5 2 12 6 24 18 50 23 11 28 6 14 100 17 3 2 2 3 10 4 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 4 8 12 13 4 2 3 2 2 1 1 1 1 1 1 1 1 1 2 4 19 30 4 2 1 2 1 1 2 1 2 4 31 89 7 4 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 83 83 d 1H J 16 | 79 79 s 1H | 77 77 d 1H J 16 | 75 75 s 1H | 74 74 m 2H | 68 67 m 2H | 65 65 s 2H | 45 44 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C)cc2c(c1C)Cc1c-2[nH]c2c(C)cc(C)cc12
ir: 6 6 2 2 2 3 5 2 3 2 2 6 14 6 3 3 5 11 47 2 4 11 56 10 13 8 6 7 9 2 4 2 2 7 5 19 50 2 17 13 22 4 3 2 2 5 2 2 2 1 1 1 1 1 1 2 3 4 3 3 9 14 12 10 8 7 7 7 4 5 9 4 9 8 6 2 2 1 2 4 2 1 10 3 2 2 2 2 2 2 31 7 21 2 1 1 2 3 3 7 14 34 23 3 4 4 2 7 4 2 2 2 4 6 7 4 6 5 4 2 5 5 37 9 13 4 6 5 2 5 22 26 3 2 11 2 2 1 8 19 2 1 1 19 0 2 3 9 3 2 2 0 7 60 9 5 2 15 3 2 1 3 4 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 4 2 2 2 7 7 3 3 3 4 9 4 16 28 20 22 19 18 16 13 4 3 2 3 2 2 2 2 1 1 1 1 1 2 2 2 1 2 2 7 11 17 43 100 15 4 4 2 3 5 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H | 76 75 d 1H J 24 | 72 71 s 1H | 69 69 m 1H | 45 45 s 2H | 37 37 s 3H | 24 23 s 3H | 23 23 s 3H | 23 22 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
On1c(-c2cncc(F)c2)nc2cc(F)c(F)cc21
ir: 6 8 7 6 9 8 10 18 9 9 12 9 17 8 5 5 5 5 6 5 6 7 17 7 5 5 6 9 6 6 11 6 19 75 15 7 16 10 7 6 6 15 30 11 6 4 5 6 5 4 5 7 10 9 7 6 5 6 7 8 5 4 6 6 6 6 7 19 29 11 5 5 7 12 29 10 10 6 17 17 6 5 7 5 8 11 19 29 31 57 10 8 7 7 15 9 6 25 11 7 13 5 5 13 30 22 8 5 4 5 7 7 5 42 25 24 6 7 8 6 13 20 5 6 18 13 7 5 3 6 8 0 44 4 4 8 5 5 5 13 35 5 16 8 5 5 6 5 5 6 7 20 75 9 6 4 6 21 11 5 5 5 19 6 5 5 5 4 4 5 4 4 4 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 5 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 6 5 4 5 6 7 7 11 62 22 7 6 6 6 5 15 100 6 6 5 5 4 4 5 5 5 5 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 88 87 t 1H J 18 | 83 82 dt 1H J 16 141 | 78 77 dt 1H J 17 121 | 74 74 ddd 2H J 43 105 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccnc(CCl)n1
ir: 7 6 13 5 7 6 5 5 3 3 10 5 6 10 9 8 5 4 5 9 13 13 5 2 2 4 2 1 1 3 3 2 2 19 39 6 25 8 12 5 3 4 4 8 25 11 7 3 5 4 5 3 4 5 2 3 2 7 3 2 2 3 2 1 3 4 4 1 2 2 2 4 8 12 4 4 5 3 1 1 3 3 2 1 2 3 2 1 2 2 1 3 5 3 1 1 3 2 1 1 3 2 2 3 3 1 1 2 2 4 4 2 3 2 1 2 3 1 1 1 2 1 1 2 4 3 2 2 3 3 2 3 2 3 12 27 16 2 1 2 2 2 6 9 4 4 7 40 22 36 28 11 8 7 5 4 54 50 13 6 5 2 3 4 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 3 3 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 3 1 1 3 3 6 5 5 10 17 7 6 9 3 2 3 3 2 3 3 3 2 3 3 3 5 8 27 45 32 3 5 2 1 2 2 2 4 10 100 47 44 2 1 4 2 2 3 2 3 2 2 2 1 2 2 1 2 3 2 2 2 2 1 0 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 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; 1HNMR: 83 83 d 1H J 40 | 62 62 d 1H J 42 | 58 57 s 2H | 47 47 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(C)OS(=O)(=O)c1ccc(C)cc1
ir: 6 9 10 4 1 8 5 9 32 21 39 38 65 10 7 4 2 3 4 2 1 4 3 5 3 4 5 4 6 4 3 4 5 5 3 2 2 3 3 2 6 12 19 5 7 7 5 2 4 6 5 1 21 22 5 1 5 10 3 6 8 12 9 7 9 68 42 10 10 10 13 13 14 10 9 4 9 7 6 5 7 28 11 19 100 16 6 13 88 17 4 4 17 74 71 5 5 4 1 4 6 3 1 2 4 3 1 2 4 2 1 2 4 3 0 2 4 8 8 6 10 7 2 10 30 13 9 9 9 4 4 4 3 3 1 4 5 6 6 6 4 1 2 4 4 1 7 16 11 6 3 3 4 3 2 4 2 1 3 4 7 6 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 4 3 2 4 3 4 4 4 4 4 5 19 11 13 5 15 35 47 26 19 14 10 9 7 10 8 5 6 7 3 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 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3; 1HNMR: 77 77 m 2H | 75 74 dq 2H J 8 82 | 58 56 ddtd 1H J 17 80 108 160 | 51 51 ddt 1H J 13 24 163 | 50 50 m 1H | 47 46 m 1H | 25 24 m 1H | 24 24 s 3H | 24 24 s 1H | 23 22 m 1H | 14 13 d 2H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.