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CC(C)Oc1cc(Cl)ccc1CO
ir: 2 4 2 5 3 3 5 4 1 2 2 1 1 1 2 3 3 4 1 1 2 2 2 2 1 1 1 1 1 1 1 0 0 1 1 2 2 2 1 1 1 1 3 2 1 1 1 1 1 3 2 2 6 6 5 4 2 2 1 0 1 3 2 3 2 2 5 15 7 1 1 1 1 2 2 5 2 5 4 4 4 6 6 8 20 13 21 13 17 10 4 7 10 5 7 4 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 1 1 1 2 5 3 2 2 3 1 1 0 0 1 0 0 0 1 1 1 5 3 2 0 0 1 25 10 3 1 3 4 4 1 0 1 0 0 6 3 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 2 2 1 2 2 3 2 3 4 3 2 2 7 5 11 19 21 29 2 12 7 10 21 33 100 71 14 7 12 4 4 3 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dt 1H J 9 80 | 71 70 dd 1H J 21 80 | 69 69 d 1H J 21 | 46 46 m 2H | 46 45 d 1H J 8 | 27 26 t 1H J 58 | 14 13 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)(C)CCOS(C)(=O)=O
ir: 4 8 16 25 5 8 6 5 11 4 3 3 0 1 2 1 2 1 1 1 0 1 1 0 0 1 1 1 1 2 2 2 2 6 4 4 2 2 4 2 2 1 2 3 1 1 1 1 3 5 5 3 2 1 1 0 3 12 11 4 2 4 3 4 3 8 4 8 18 17 19 23 55 75 46 9 6 2 3 1 2 5 3 4 3 14 26 77 100 46 4 3 2 2 1 1 1 3 1 8 39 15 11 2 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 7 10 17 9 8 3 1 0 1 2 1 2 2 1 2 5 4 5 9 15 23 7 4 3 1 2 0 1 1 1 0 0 1 0 0 0 1 0 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 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 1 0 2 9 5 3 1 1 1 2 1 2 2 4 8 12 13 32 23 30 17 12 9 3 4 2 5 3 5 7 2 1 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 57 56 dddt 1H J 9 19 116 170 | 51 50 dd 1H J 24 172 | 49 48 dd 1H J 24 117 | 41 40 t 2H J 82 | 30 30 s 3H | 16 15 td 2H J 9 81 | 10 9 d 6H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=NNC(N)=O)C(C)(C)C
ir: 2 3 2 2 2 2 2 2 3 3 3 3 3 6 5 8 22 17 4 4 9 3 2 3 4 6 2 2 4 3 3 3 3 4 4 7 17 40 8 5 5 4 13 10 5 2 2 3 2 2 3 7 4 6 4 5 2 2 2 3 2 3 4 2 2 2 3 3 4 2 3 2 2 2 3 6 6 4 4 3 2 3 3 2 2 2 2 2 2 2 2 3 3 4 4 3 2 3 3 3 2 6 7 3 2 2 2 2 2 2 3 3 3 2 4 2 3 3 3 2 3 3 3 3 2 3 3 4 5 4 5 3 3 4 9 4 5 3 3 2 2 3 8 12 23 3 3 3 7 6 4 2 3 6 5 3 5 19 100 8 4 0 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 2 2 2 2 2 3 3 3 4 7 5 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 11 8 5 4 6 6 5 13 8 6 7 8 6 8 11 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; 1HNMR: 87 87 s 1H | 63 63 s 2H | 19 19 s 3H | 12 12 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(=O)N2CCN(C(=O)c3ncn(-c4cccc(Cl)c4)n3)[C@@H](C)C2)n1
ir: 3 2 2 2 5 3 2 2 3 2 1 1 2 1 3 3 4 2 3 4 2 5 2 1 1 6 4 2 1 2 1 9 4 1 1 1 3 1 1 1 2 8 15 6 3 4 10 22 13 6 4 5 2 3 1 0 1 1 1 1 1 2 2 3 16 5 2 3 6 3 2 2 1 5 1 2 3 4 3 21 6 1 1 4 4 5 6 3 19 26 4 2 6 7 6 3 10 6 5 7 9 4 1 3 4 3 1 4 1 2 1 1 2 12 3 9 3 6 9 9 6 4 13 6 4 5 14 13 6 6 7 2 2 1 2 2 2 2 3 8 14 30 5 3 3 15 7 34 5 2 3 28 3 1 8 14 4 1 2 4 3 1 4 12 3 1 1 1 1 1 1 9 1 0 1 1 1 0 5 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 2 5 3 5 3 6 2 10 4 7 15 41 12 25 81 31 100 11 5 2 6 5 6 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 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 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 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0; 1HNMR: 85 85 s 1H | 77 77 t 1H J 80 | 76 76 t 1H J 21 | 75 75 ddd 1H J 9 20 79 | 75 75 dd 1H J 13 81 | 73 73 t 1H J 80 | 72 72 ddd 1H J 9 20 81 | 67 67 dd 1H J 13 79 | 43 42 dqt 1H J 28 57 81 | 41 41 dd 1H J 29 108 | 40 39 s 2H | 39 39 m 1H | 39 37 m 4H | 14 13 d 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCc2c1cncc2N1Cc2cc(Cl)ccc2C1=O
ir: 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 0 1 1 0 1 0 0 1 0 5 1 1 0 0 0 0 1 1 1 2 1 2 2 5 3 1 1 1 2 0 0 0 0 0 1 1 2 9 2 2 1 1 3 2 3 1 10 1 3 1 4 5 1 0 1 1 2 7 1 0 2 6 2 2 1 1 0 1 1 1 2 1 2 1 0 0 0 1 1 2 1 0 0 2 0 0 0 1 1 1 2 1 1 2 8 0 1 1 1 1 1 4 2 1 1 1 4 3 2 1 1 6 11 1 23 18 9 3 11 5 1 1 1 0 0 1 0 0 0 1 0 0 0 2 1 0 10 2 4 1 2 1 7 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 1 1 0 1 1 0 1 0 1 2 1 2 7 3 1 1 0 1 0 1 1 1 1 1 1 2 6 12 7 2 1 2 2 1 100 10 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 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; 1HNMR: 85 85 d 1H J 16 | 84 83 dd 1H J 7 16 | 80 80 d 1H J 89 | 74 74 dd 1H J 25 89 | 73 73 dt 1H J 9 24 | 50 49 d 2H J 10 | 40 39 m 1H | 31 30 ddd 1H J 59 77 161 | 30 29 ddd 1H J 59 77 161 | 28 28 d 2H J 51 | 23 22 dddd 1H J 40 58 77 136 | 21 20 dddd 1H J 41 59 77 138
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)c1cccc(C(=O)O)c1
ir: 1 1 2 8 2 9 6 10 2 2 10 5 14 3 4 8 26 11 6 4 11 100 53 5 4 2 2 2 5 4 3 4 34 14 16 4 3 1 1 1 1 0 1 1 1 0 3 7 8 1 1 1 1 0 2 4 1 1 1 1 1 2 2 1 17 18 5 3 4 4 1 2 5 1 3 23 5 2 43 3 2 7 4 3 6 14 12 9 5 4 27 3 1 1 1 0 1 1 0 1 7 3 2 3 11 3 3 3 26 3 2 1 1 1 2 2 19 6 1 2 3 2 2 4 2 14 1 1 1 1 1 1 1 0 0 1 1 1 1 2 5 1 2 4 5 46 4 3 2 1 1 1 1 1 1 1 1 0 0 1 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 1 0 1 1 0 1 1 1 2 3 1 3 4 11 2 4 23 15 1 2 1 1 1 1 1 2 36 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 t 1H J 22 | 82 81 ddd 1H J 13 22 81 | 80 80 ddd 1H J 11 22 88 | 76 75 dd 1H J 79 88 | 33 32 h 1H J 86 | 13 13 d 6H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N2CC[C@](C)(O)[C@@H]2C)ccc1C#N
ir: 35 18 23 13 7 19 19 26 87 18 20 18 21 10 8 7 8 6 6 5 5 7 10 4 14 9 9 15 3 6 7 7 25 29 9 12 9 5 12 13 14 18 8 7 5 8 8 6 8 8 5 2 7 16 19 94 30 7 8 9 12 18 27 6 20 22 26 32 37 23 15 10 17 51 26 31 26 100 83 40 11 12 9 4 9 9 21 20 42 26 37 42 75 24 36 56 13 9 5 9 17 9 6 7 6 7 14 17 13 14 14 25 59 13 7 14 8 6 18 12 12 10 7 15 28 17 5 6 15 33 11 16 14 6 5 6 5 4 4 5 6 39 9 8 6 3 3 5 5 4 49 11 10 10 26 16 8 5 5 6 5 9 60 17 6 3 4 5 4 2 4 5 3 2 4 5 3 2 4 6 3 0 50 1 4 4 4 4 3 4 3 4 3 4 3 4 3 3 3 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 4 4 3 3 3 4 4 3 4 4 3 2 4 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 5 3 4 5 4 4 4 5 6 5 4 8 17 6 7 6 6 10 5 10 5 4 5 5 14 39 94 18 30 64 73 20 13 5 6 8 5 21 13 6 6 4 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 76 75 d 1H J 81 | 66 66 dd 1H J 21 81 | 65 65 d 1H J 21 | 39 39 s 2H | 36 36 qt 1H J 18 70 | 36 35 ddd 1H J 33 52 124 | 34 34 m 1H | 34 33 s 1H | 20 19 ddd 1H J 33 52 127 | 18 17 dddd 1H J 17 33 51 126 | 13 12 s 2H | 12 11 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCC(/C=C/Br)OC(c1ccccc1)(c1ccccc1)c1ccccc1
ir: 1 1 1 1 1 1 1 2 1 3 2 4 2 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 2 4 5 16 8 43 29 9 3 3 4 2 21 100 20 10 4 1 1 3 1 0 1 2 2 0 1 2 1 1 2 2 1 1 2 3 2 1 3 6 11 3 17 8 4 3 5 5 5 10 11 10 6 3 7 6 2 2 2 1 1 1 2 1 1 1 2 3 1 2 2 1 1 1 4 6 5 9 4 3 2 2 3 3 8 3 14 7 2 5 12 23 15 4 4 9 7 6 6 4 3 4 4 3 3 5 4 25 16 4 3 1 1 3 7 18 38 15 6 4 2 1 1 2 7 33 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 3 1 2 2 3 1 4 5 5 6 17 59 39 82 50 24 5 4 4 3 2 3 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 15H | 64 63 dd 1H J 8 124 | 63 63 ddt 1H J 9 51 125 | 43 42 qd 1H J 9 54 | 20 18 dtdd 1H J 9 54 79 132 | 17 16 dtdd 1H J 9 54 81 133 | 15 14 m 1H | 14 12 m 9H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cccc(-c3c[nH]nc3-c3cc(Cl)c(O)cc3O)c2)cc1OC
ir: 10 3 2 2 3 1 1 0 1 1 0 1 1 1 0 2 1 1 1 2 1 1 1 1 1 1 0 1 1 1 1 2 2 3 6 4 4 1 2 1 2 1 3 3 1 1 4 12 67 8 4 4 2 5 12 14 3 5 1 2 3 3 1 3 5 6 4 26 19 6 5 4 4 6 2 2 3 2 2 4 3 5 31 18 5 3 2 4 1 2 2 2 1 2 1 2 1 1 1 7 3 2 1 2 1 0 5 10 1 1 1 1 1 1 5 1 2 6 10 7 3 8 4 4 5 4 9 10 5 10 13 10 2 1 2 4 3 8 3 2 11 4 3 6 1 1 1 2 2 17 7 3 6 22 4 4 1 1 1 0 2 2 2 1 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 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 1 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 3 6 9 15 8 34 100 30 38 14 4 3 4 13 20 7 14 10 3 2 2 3 2 3 2 2 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; 1HNMR: 93 92 d 1H J 35 | 79 79 d 1H J 35 | 76 75 m 2H | 75 75 m 2H | 74 74 t 1H J 21 | 72 71 dd 1H J 18 84 | 69 69 d 1H J 84 | 68 68 d 1H J 18 | 66 65 s 1H | 65 64 s 1H | 39 38 d 6H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc2c(C(C)(C)O)c(C)oc12
ir: 4 3 1 4 4 3 3 4 6 3 2 3 3 1 7 10 6 1 2 4 2 2 1 4 3 2 3 3 2 2 3 5 6 11 23 11 9 12 9 4 4 2 2 2 3 4 4 13 18 4 8 8 3 5 3 4 2 0 2 3 2 0 2 5 2 1 2 4 5 9 5 4 2 2 5 4 2 2 9 10 15 17 11 3 3 3 3 3 1 1 2 2 2 3 4 3 3 4 3 4 4 3 10 9 2 2 4 5 11 5 4 2 1 11 12 3 2 3 4 2 2 3 3 2 1 5 4 1 1 5 5 2 1 4 6 3 10 9 3 2 3 12 27 12 5 26 34 1 12 2 2 4 15 3 3 1 1 2 3 4 23 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 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 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 3 6 4 3 5 3 3 3 3 2 2 3 3 3 5 11 8 11 6 32 23 5 3 6 4 2 16 100 56 3 4 3 2 2 3 2 2 1 4 5 6 13 15 26 42 19 4 4 3 2 4 3 2 2 3 3 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 1 1 1 1 1 1 1 1 1 1 1 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 0; 1HNMR: 92 92 s 1H | 77 76 dd 1H J 12 94 | 76 75 dd 1H J 12 83 | 73 72 dd 1H J 83 94 | 46 45 s 1H | 23 22 s 3H | 22 22 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.
CC(=O)OCC1Cc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2CN1C(=O)OC(C)(C)C
ir: 3 6 12 7 4 11 14 8 5 16 24 13 25 35 18 8 6 14 7 5 3 9 36 19 5 6 6 3 6 12 13 10 5 10 8 3 11 16 14 14 28 22 7 5 4 8 5 0 4 10 6 0 4 8 9 0 4 8 4 0 7 11 13 13 13 13 11 10 11 13 4 3 5 10 4 2 7 10 6 4 6 10 4 1 21 100 38 14 8 7 2 3 6 6 2 4 10 14 22 14 12 10 12 8 8 6 4 5 8 5 1 4 8 6 4 10 13 13 4 10 20 16 19 39 15 11 4 7 14 7 6 12 11 7 30 24 8 3 3 8 16 6 13 18 10 4 4 7 10 8 11 29 18 2 3 6 5 2 3 6 5 1 3 6 4 1 3 7 4 0 3 7 4 0 4 6 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 5 1 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 4 2 3 6 7 3 5 7 6 2 6 7 6 3 5 12 9 16 33 28 15 48 47 12 8 5 5 6 4 2 4 6 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 6; 1HNMR: 81 81 d 1H J 22 | 80 80 d 1H J 22 | 79 78 dt 2H J 12 79 | 76 75 m 4H | 50 49 m 2H | 46 45 tt 1H J 53 66 | 45 45 dd 1H J 53 108 | 43 42 dd 1H J 53 108 | 32 31 dd 1H J 66 141 | 30 29 dd 1H J 66 141 | 21 20 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCCc1ccccc1OS(C)(=O)=O
ir: 9 18 16 16 20 10 16 17 12 5 1 7 8 1 2 2 1 1 1 4 2 2 1 2 2 0 0 1 1 0 0 2 2 2 3 10 3 1 4 6 3 5 71 2 3 10 10 3 2 5 6 3 4 18 6 1 2 10 4 2 2 2 1 2 3 5 4 6 7 9 12 22 30 21 19 8 13 4 6 3 2 1 6 11 4 9 30 65 100 86 29 14 4 2 2 2 3 5 10 14 19 20 16 10 8 3 0 1 2 1 0 1 3 1 1 2 3 4 3 6 12 20 19 13 8 3 1 1 1 1 1 2 1 1 1 2 4 17 3 2 4 2 15 10 1 2 1 1 7 2 1 1 1 1 1 1 1 0 1 2 2 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 0 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 0 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 2 2 2 2 3 4 6 2 1 2 2 2 3 1 3 3 5 5 12 32 42 9 11 50 14 5 3 2 1 1 2 2 1 0 1 1 1 1 1 2 1 1 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 71 m 3H | 71 70 dd 1H J 14 76 | 43 42 t 2H J 68 | 32 32 s 3H | 31 30 td 2H J 9 68 | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)OCCNC(=O)OCCCCCCOc1ccc(C=CC(=O)OC)cc1
ir: 19 12 19 3 1 3 4 3 2 1 1 1 1 2 2 2 3 14 3 2 4 2 4 1 0 1 1 1 1 3 3 4 3 5 2 8 44 20 6 9 5 2 5 2 3 6 5 4 4 3 2 3 2 7 7 5 15 3 1 7 7 6 6 4 8 6 3 9 4 2 2 2 1 1 4 3 2 1 1 1 0 0 0 0 1 3 2 1 1 2 2 1 2 11 4 6 14 6 1 1 1 1 2 1 2 3 4 8 4 2 2 5 3 5 3 1 2 3 3 4 8 8 1 2 3 6 8 3 2 4 4 2 4 1 0 2 4 3 2 1 1 2 2 2 10 5 38 19 100 18 6 2 4 1 1 1 2 10 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 2 1 2 1 1 5 2 2 9 20 10 14 15 16 8 2 9 2 1 1 1 1 2 1 0 1 1 0 0 0 0 0 0 1 4 13 6 8 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 1H | 75 75 m 2H | 71 70 m 2H | 64 63 d 1H J 163 | 59 58 dq 1H J 8 16 | 56 56 dq 1H J 15 28 | 55 54 t 1H J 58 | 44 44 t 2H J 47 | 41 40 t 2H J 64 | 40 40 t 2H J 63 | 38 37 s 2H | 35 35 dt 2H J 47 58 | 20 19 t 3H J 11 | 18 17 tt 2H J 63 74 | 17 16 tt 2H J 64 77 | 14 12 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1c(C)cc2c(c1C)C(C)CN2C(C)=O
ir: 8 11 8 11 4 4 1 2 2 2 5 13 1 7 2 3 3 10 9 35 11 8 20 25 10 11 34 37 11 5 4 2 6 4 3 1 8 19 3 1 2 2 2 2 2 2 2 1 1 2 3 1 1 0 2 3 1 1 2 3 3 5 8 15 33 31 16 7 12 17 77 34 12 4 2 3 4 7 3 2 3 4 7 4 5 2 1 0 3 1 1 1 2 5 0 2 4 5 2 2 7 10 66 49 4 17 15 10 21 8 19 6 5 4 5 6 1 18 22 15 10 22 23 57 65 16 14 14 6 14 24 8 4 32 26 14 5 15 11 42 6 8 8 9 92 7 8 77 100 9 0 4 7 53 2 2 2 1 1 2 3 8 36 7 2 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 2 2 2 8 9 11 11 7 6 11 5 13 18 17 13 16 12 21 39 61 20 25 20 57 34 8 6 4 5 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 s 1H | 43 42 dd 1H J 37 110 | 40 40 dd 1H J 37 110 | 36 35 qt 1H J 37 61 | 23 23 s 3H | 21 21 s 3H | 21 21 s 3H | 21 20 s 3H | 14 13 d 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOC(=O)c1sc(Cl)nc1C(=O)NCCOC
ir: 4 3 4 4 5 4 5 5 38 20 18 18 25 17 3 12 7 5 4 2 3 5 4 11 5 3 3 1 1 2 2 2 2 1 1 1 0 1 1 1 1 2 2 2 1 1 1 1 1 0 2 2 1 1 1 1 2 3 3 2 6 5 5 6 8 4 5 12 3 5 9 14 5 6 5 2 1 1 3 2 2 1 1 2 2 1 2 2 7 3 2 2 3 8 9 1 1 2 2 6 10 6 6 4 3 2 2 1 0 1 2 3 4 8 8 4 3 3 5 8 11 8 6 4 4 8 1 4 3 2 1 1 1 1 4 6 10 18 12 14 11 5 12 18 10 33 23 18 19 7 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 12 9 1 1 0 0 1 1 1 1 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 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 2 3 1 2 1 2 3 3 3 5 3 3 12 4 2 2 4 6 5 4 4 1 1 1 1 1 1 1 1 0 1 1 1 1 6 7 7 100 25 3 3 2 2 1 1 1 1 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 t 1H J 56 | 61 60 ddt 1H J 55 114 171 | 54 53 ddt 1H J 13 25 170 | 53 52 m 1H | 49 48 dt 2H J 14 57 | 37 36 dt 2H J 45 56 | 36 36 t 2H J 43 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc(I)cc1C(=O)OC
ir: 17 25 16 4 2 3 7 5 5 10 4 2 2 2 3 2 2 2 2 2 1 1 2 1 1 1 2 1 3 2 6 2 1 2 2 3 18 2 2 1 2 4 2 1 1 2 1 1 1 3 3 1 4 20 11 4 1 1 2 8 2 10 3 2 2 7 9 20 3 2 1 2 3 2 2 4 10 3 2 10 3 2 6 1 1 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 3 3 13 10 9 4 2 3 5 11 16 17 4 4 2 3 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 0 5 4 5 17 100 1 3 32 4 2 2 2 2 2 1 1 1 1 2 2 3 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 3 1 1 1 1 2 2 2 1 2 2 2 2 15 8 0 14 56 18 10 3 0 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 1 1 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 d 1H J 22 | 77 77 dd 1H J 21 85 | 69 68 d 1H J 85 | 41 41 t 2H J 54 | 39 39 s 2H | 20 19 qt 2H J 53 79 | 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)Nc1nc2ccccn2c(=O)c1-c1ccc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1
ir: 5 8 11 12 34 9 16 12 9 27 17 28 19 32 24 12 21 13 14 12 7 10 5 7 10 5 7 8 14 8 4 5 4 1 4 4 3 4 6 5 4 0 3 60 66 18 6 3 4 7 4 4 3 4 11 15 5 15 4 2 4 10 9 3 2 3 3 2 5 14 9 4 4 3 4 6 3 3 2 5 3 2 2 3 14 7 3 6 6 4 4 4 3 3 3 3 2 2 3 2 3 11 4 9 20 5 7 21 30 73 34 7 7 13 7 13 8 8 20 10 7 17 7 8 12 8 7 3 8 11 5 13 15 11 4 5 8 4 2 6 20 16 3 6 5 6 13 100 62 15 16 55 83 9 5 14 22 6 3 4 100 24 24 3 6 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 2 2 1 1 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 2 2 2 4 5 3 2 4 4 4 5 4 2 3 3 6 20 24 14 17 30 26 26 73 20 7 5 3 3 4 2 3 3 2 2 2 4 5 6 7 6 14 29 49 49 94 55 46 16 6 4 4 3 2 2 3 3 3 3 3 2 2 2 1 1 2 2 1 1 2 1 2 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 dd 1H J 14 72 | 77 76 m 3H | 75 75 dd 1H J 9 72 | 72 71 d 1H J 75 | 71 70 td 1H J 8 71 | 69 69 m 2H | 50 50 d 1H J 81 | 41 40 m 2H | 38 37 ddd 1H J 7 14 120 | 36 35 m 2H | 35 34 m 1H | 21 20 dddd 1H J 21 52 73 124 | 19 18 dddd 1H J 42 52 69 124 | 15 14 s 7H | 13 12 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC1CCCn2c1cc1c(C(C)C)cc(F)cc12
ir: 6 22 8 10 4 5 6 6 3 2 3 4 2 4 5 3 1 3 5 2 2 3 2 3 1 2 2 10 4 10 7 1 1 2 3 1 2 8 2 7 3 2 2 2 3 5 9 18 9 8 5 2 3 19 7 12 2 3 1 3 9 2 5 9 100 12 22 17 12 5 2 1 5 3 2 5 10 4 1 3 2 1 1 2 2 1 1 1 1 2 1 2 1 9 8 3 5 4 3 8 10 15 40 11 5 7 8 10 28 9 5 8 7 4 4 9 11 25 14 19 3 11 23 10 2 8 7 7 8 10 23 9 8 7 3 5 3 3 4 5 3 3 8 17 48 42 11 4 6 3 2 2 2 0 3 56 1 3 25 3 1 8 57 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 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 2 3 4 3 3 3 6 4 6 8 5 7 9 6 13 12 62 29 41 91 24 39 11 2 6 3 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 70 69 m 1H | 69 68 dd 1H J 21 122 | 67 67 d 1H J 7 | 41 40 m 2H | 38 37 heptd 1H J 9 67 | 36 35 s 2H | 33 32 m 1H | 29 28 dd 1H J 73 159 | 26 25 dd 1H J 73 159 | 21 20 m 2H | 19 18 m 1H | 18 17 m 1H | 14 13 dd 6H J 9 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(-c2ccc(C=O)cc2)c(C#N)c(CC)n1C
ir: 0 19 41 20 3 20 37 17 3 24 37 14 4 25 34 13 10 27 34 20 11 61 63 17 27 40 31 11 13 32 31 8 10 31 27 10 13 35 26 10 20 33 28 7 15 37 27 4 20 38 28 7 29 51 20 4 27 45 34 0 19 43 20 2 21 35 15 3 43 51 28 13 35 36 27 25 32 38 23 15 27 28 11 9 29 31 16 10 31 37 17 12 31 33 10 16 31 30 11 17 36 24 5 23 43 24 4 21 51 52 8 34 89 100 78 40 61 39 43 44 43 40 15 27 55 50 49 68 58 26 9 33 38 15 9 26 30 11 10 27 29 12 10 53 43 13 16 31 26 9 14 37 27 12 14 31 22 5 16 34 21 3 15 33 20 2 27 36 19 2 17 35 18 2 18 33 16 3 20 32 15 4 21 31 14 5 22 29 13 6 23 28 12 7 24 27 10 9 25 26 9 10 26 25 8 11 27 24 7 12 28 22 6 14 30 21 5 15 31 20 4 16 31 19 4 17 33 18 2 18 33 17 3 20 31 16 5 20 30 15 6 21 29 14 7 22 28 13 9 24 27 13 9 24 26 11 10 26 25 11 12 27 25 9 13 29 24 9 17 37 43 43 17 33 25 10 28 41 29 17 29 42 54 93 85 47 78 57 69 39 22 12 21 30 17 10 20 29 15 8 22 27 14 9 22 26 13 9 23 25 12 10 24 24 11 11 25 23 10 12 26 22 9 13 26 21 8 14 27 20 7 15 28 20 7 16 29 19 6 17 30 18 5 18 29 17 6 19 28 16 7 19 27 15 8 20 27 14 9 21 26 14 10 22 25 13 11 23 24 12 12 23 23 11 12 24 22 10 13 25 21 10 14 26 21 9 15 27 20 8 16 27 19 8 17 28 18 7 17 28; 1HNMR: 100 99 s 1H | 79 78 m 2H | 78 77 m 2H | 44 43 q 2H J 64 | 38 38 s 2H | 28 28 q 2H J 60 | 14 13 t 3H J 64 | 12 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c2c(C#N)cc(F)c(Cc3ccc(Cl)nc3)c2c1C
ir: 0 1 1 8 1 2 1 2 1 1 2 4 3 1 1 1 0 0 0 1 0 2 2 1 1 1 3 1 12 5 8 13 19 8 5 4 4 9 4 1 3 5 7 6 2 3 1 1 3 1 3 2 9 14 6 4 3 1 0 1 1 1 1 3 3 2 4 17 7 11 2 2 1 1 1 1 1 2 1 2 1 1 0 0 1 1 1 1 3 10 1 1 1 0 1 2 1 2 1 1 2 4 4 9 2 5 10 6 3 0 0 1 1 1 1 1 2 2 2 1 1 3 3 2 1 2 2 1 1 4 7 15 28 2 1 2 1 1 5 1 1 1 1 1 1 1 1 6 17 1 1 2 3 2 1 1 22 20 1 4 15 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 1 3 3 8 5 15 16 6 2 1 2 2 1 1 1 1 0 1 1 1 1 2 2 2 1 2 2 1 1 1 3 26 100 5 2 1 1 2 1 0 1 1 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 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dt 1H J 9 19 | 75 74 ddt 1H J 9 19 79 | 73 72 m 3H | 40 40 dt 2H J 9 27 | 24 23 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC1CCCN(c2ccc(C#N)cn2)C1C(=O)O
ir: 1 2 2 7 4 4 3 6 5 6 6 8 20 26 8 10 8 11 22 9 48 68 35 2 4 7 4 9 8 6 3 3 4 5 3 2 3 14 25 9 2 4 2 0 2 3 2 4 4 6 5 5 6 15 15 8 5 7 5 3 4 3 3 3 2 4 2 0 3 6 10 6 8 10 6 10 18 24 52 14 11 5 6 4 5 7 4 3 6 8 5 4 3 4 7 4 5 3 3 5 9 5 2 3 5 6 4 4 4 7 6 5 13 6 2 3 4 4 1 4 4 3 6 18 7 4 4 6 6 3 6 4 3 1 4 3 3 3 2 13 18 13 10 11 4 2 1 4 7 24 9 3 3 1 2 2 2 5 6 64 11 3 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 7 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 1 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 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 1 2 1 1 1 2 2 0 1 2 2 1 1 2 2 1 1 4 3 3 3 3 4 5 3 8 5 8 5 8 7 9 8 5 2 1 3 5 2 1 85 100 35 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 d 1H J 20 | 78 77 dd 1H J 20 77 | 70 69 d 1H J 77 | 45 44 dt 1H J 45 75 | 43 43 d 1H J 77 | 41 40 m 1H | 37 36 dq 1H J 61 112 | 36 35 m 2H | 20 19 m 2H | 19 18 m 1H | 17 16 m 1H | 12 11 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc(C(C/C=C/c2ccccc2)C(=O)c2cncc(Br)c2)cc1
ir: 2 1 1 1 3 1 2 1 1 1 1 2 3 1 1 1 2 0 4 1 1 0 0 1 1 0 0 1 2 2 8 4 20 3 4 3 31 0 9 19 79 9 6 2 2 1 1 1 1 1 2 18 2 5 18 38 3 4 5 1 1 0 0 1 1 1 2 6 5 12 2 1 1 1 7 6 5 17 13 2 1 2 4 2 0 1 2 2 0 1 2 6 11 3 1 0 0 0 1 1 1 7 1 1 1 1 0 1 1 0 0 2 13 35 6 1 3 2 3 7 11 6 13 1 12 2 4 3 1 1 1 2 4 3 2 3 4 2 1 1 1 3 32 18 3 3 2 12 3 1 3 7 6 2 2 1 6 6 2 2 3 7 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 1 2 2 1 2 4 6 10 4 14 100 14 9 8 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 t 1H J 17 | 88 87 t 1H J 17 | 87 86 t 1H J 16 | 74 72 m 8H | 72 71 m 2H | 66 65 m 1H | 61 60 dtd 1H J 17 66 150 | 47 46 dddd 1H J 8 17 76 83 | 30 29 dddd 1H J 14 66 77 156 | 27 27 dddd 1H J 13 65 77 156 | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(N)n(Cc2ccccc2Cl)n1
ir: 37 27 12 13 5 7 3 14 17 25 33 12 6 5 4 2 2 2 2 2 3 1 1 2 2 3 2 2 2 2 2 4 3 3 2 4 5 4 8 6 8 29 9 17 11 3 1 2 1 2 2 1 1 2 2 1 1 1 0 1 1 0 1 2 1 1 1 1 3 2 1 4 4 14 21 11 6 15 4 2 1 1 2 1 0 2 6 10 14 7 6 3 0 1 1 1 1 1 0 2 0 0 0 0 0 1 0 3 1 1 1 1 2 7 5 11 19 8 4 2 1 2 1 1 1 1 1 3 16 16 2 1 0 1 1 2 19 14 50 2 1 5 5 3 1 1 1 3 3 1 10 9 1 4 15 8 2 3 4 2 4 22 14 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 2 2 1 1 1 2 1 2 2 5 7 7 6 18 26 15 10 0 2 2 1 0 1 1 1 0 0 0 0 0 1 17 38 5 1 0 0 1 1 1 1 2 3 100 89 10 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 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: 74 73 m 1H | 73 72 m 2H | 69 68 m 1H | 67 66 s 1H | 54 54 d 2H J 9 | 53 53 s 2H | 44 44 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
ir: 7 6 3 4 3 7 4 8 8 6 5 7 5 5 14 3 3 2 1 2 3 2 4 4 5 3 2 3 4 4 5 15 19 17 13 13 25 24 14 8 11 6 4 4 6 3 4 12 23 7 2 4 3 1 3 7 5 3 8 8 3 1 3 6 5 4 17 21 10 12 8 4 4 4 4 3 1 1 3 2 3 3 3 4 2 2 8 3 3 2 4 3 2 2 3 4 13 12 54 86 30 5 6 4 4 3 4 4 4 16 18 26 60 7 17 9 2 13 17 8 12 13 23 24 38 12 23 34 11 8 9 3 5 8 14 30 4 4 5 6 27 15 6 15 100 81 22 51 57 24 7 2 3 5 4 2 3 3 2 1 1 6 4 1 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 4 3 2 6 10 5 4 6 6 4 3 5 9 26 34 28 41 42 9 4 4 3 2 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 80 80 t 1H J 22 | 77 76 m 2H | 76 75 dd 1H J 78 105 | 38 37 m 4H | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc(COCC(F)(F)F)nc(Cl)n1
ir: 12 11 15 8 6 6 5 6 6 18 9 9 11 8 6 6 6 5 5 7 13 12 13 10 21 11 12 7 7 6 6 6 6 5 8 19 39 57 13 4 7 7 6 5 5 6 6 4 5 6 6 8 7 6 7 6 7 6 6 5 6 8 7 6 15 16 36 46 8 4 6 8 13 6 5 5 5 5 5 5 5 5 6 7 7 14 11 40 18 28 9 12 7 17 11 16 9 6 5 6 9 15 12 7 7 27 12 20 13 6 4 5 6 5 4 5 6 5 5 7 14 6 6 6 6 6 14 18 10 6 5 6 7 4 3 6 7 3 2 8 20 20 68 4 3 7 6 6 6 6 5 6 5 4 4 10 12 100 10 0 4 8 6 3 5 7 5 3 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 10 8 6 5 5 5 6 6 8 11 11 19 21 9 5 5 6 5 6 11 17 7 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 71 71 p 1H J 8 | 47 46 m 4H | 42 40 q 2H J 130 | 36 35 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC/C(C)=C/Cc1c(C)c(OC(C)=O)c(C)c(C)c1OC(C)=O
ir: 1 6 8 3 2 1 2 2 1 3 2 2 2 2 2 4 2 3 2 2 4 2 1 1 2 1 1 2 2 1 2 3 2 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 5 4 8 14 10 10 2 5 1 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 7 2 1 20 13 7 4 3 1 3 1 1 2 2 6 5 2 2 3 5 4 14 11 6 9 14 31 9 11 5 10 4 5 9 14 8 3 2 2 3 3 4 2 2 1 2 5 16 100 6 1 2 2 2 1 1 1 0 0 1 1 0 0 2 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 2 1 2 2 3 6 2 5 4 3 4 9 12 8 14 18 12 6 4 3 3 5 2 3 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 55 54 ddp 1H J 13 53 81 | 45 45 q 2H J 11 | 34 33 ddq 2H J 10 20 67 | 23 23 s 6H | 22 22 m 9H | 21 20 s 2H | 18 17 q 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccccc2)oc2c(CNC(=O)CCl)cccc2c1=O
ir: 7 5 2 3 8 2 0 2 3 3 6 8 4 3 1 4 6 5 2 5 5 4 4 7 10 8 14 16 14 9 15 26 41 9 14 9 7 2 9 15 8 0 100 24 29 23 9 5 4 7 6 6 3 3 2 2 2 2 2 3 3 1 2 5 1 2 3 8 13 4 6 4 2 2 2 2 4 7 2 2 1 2 2 2 1 2 6 2 1 1 2 3 4 3 4 2 8 17 13 17 5 3 3 2 1 2 4 3 3 5 4 3 1 2 4 2 2 3 6 14 8 5 8 4 5 6 7 8 2 3 5 4 10 48 14 18 2 4 6 13 65 6 22 46 23 26 57 12 12 5 4 11 5 4 29 6 2 3 6 56 3 36 2 2 2 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 3 2 4 5 6 3 2 3 3 3 4 7 6 12 21 100 25 2 6 4 3 2 3 4 2 2 2 3 2 2 2 3 3 3 5 15 7 8 20 66 27 30 8 4 3 2 2 2 1 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 79 dd 1H J 11 82 | 77 75 m 4H | 75 74 m 2H | 74 74 dq 1H J 9 81 | 72 71 t 1H J 82 | 48 47 dd 2H J 9 57 | 41 40 s 2H | 22 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(C#N)cc1C
ir: 0 1 2 2 1 5 8 5 2 5 4 2 1 3 10 2 1 2 3 1 1 3 3 1 1 2 3 1 1 2 2 1 1 2 2 3 3 5 2 0 1 3 2 1 1 2 2 1 1 3 2 0 1 4 4 0 2 3 2 1 2 3 2 1 2 2 3 2 3 3 4 6 6 10 13 8 4 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 8 2 3 2 1 1 3 2 1 3 3 2 4 3 4 4 2 3 8 2 1 2 3 7 8 5 3 2 2 5 3 1 2 3 9 4 6 8 2 1 2 2 2 1 1 2 2 1 1 2 2 2 9 20 3 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 4 2 1 3 3 4 11 7 8 5 0 9 100 17 3 2 1 1 1 1 2 1 1 2 2 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 61 60 s 1H | 39 39 q 2H J 49 | 22 22 s 3H | 15 14 t 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(C(C)(C)C)c3)cc2)CC1
ir: 1 1 3 4 4 2 1 1 2 6 10 6 2 1 0 1 1 4 1 2 2 1 2 1 1 1 1 1 2 1 1 2 3 0 1 1 1 1 1 4 5 7 4 2 1 1 11 3 3 2 1 1 1 2 1 1 5 1 1 2 2 2 3 1 1 0 2 3 3 2 4 2 1 1 1 1 1 1 1 0 0 0 1 1 1 2 3 1 1 2 1 1 0 2 2 3 4 4 4 4 1 1 1 4 12 1 0 1 0 1 1 2 7 4 1 4 0 2 5 9 5 3 6 2 1 1 2 3 2 3 4 7 7 2 1 1 1 2 4 2 1 1 4 7 11 5 16 5 3 2 11 100 9 10 4 0 2 6 9 2 1 1 1 1 37 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 1 1 1 1 1 1 2 1 6 4 4 14 32 15 2 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 1 1 1 2 1 3 9 11 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 78 78 m 2H | 77 77 t 1H J 21 | 77 76 ddd 1H J 13 22 77 | 73 72 t 1H J 75 | 71 71 ddd 1H J 13 22 75 | 69 69 m 2H | 36 35 m 5H | 33 33 m 5H | 15 14 s 8H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(CCC)C(=O)OCCC(=O)O
ir: 4 3 3 4 4 2 1 12 46 9 10 13 7 16 12 5 8 6 9 17 30 65 100 73 9 13 5 2 4 2 1 0 2 1 1 1 1 1 1 2 4 3 8 7 6 3 3 3 2 2 5 2 1 1 1 1 2 2 1 1 2 1 1 3 2 2 5 1 2 1 2 7 5 3 6 7 4 11 29 32 10 5 1 2 1 3 2 3 4 2 2 2 1 1 2 2 4 6 5 5 3 5 5 3 2 12 9 10 0 9 10 30 22 5 11 5 9 7 7 10 5 5 3 4 3 3 2 2 1 2 2 8 17 20 5 5 1 2 3 1 5 13 54 71 31 9 36 12 3 2 1 1 1 0 1 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 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 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 3 2 3 3 4 5 3 5 2 4 4 3 7 7 12 34 9 3 1 2 2 1 2 3 2 2 5 77 65 7 1 2 3 2 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 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: 44 44 t 2H J 67 | 27 27 t 2H J 67 | 24 23 p 1H J 73 | 17 16 m 2H | 15 12 m 6H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCOc2ccccc2C1
ir: 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 7 0 0 4 0 4 0 0 0 0 5 1 0 0 2 6 0 1 1 0 0 0 1 0 0 1 1 1 1 4 1 0 0 1 1 0 13 1 0 1 1 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 3 5 1 2 7 3 2 4 1 0 0 1 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 2 10 4 1 0 0 0 0 0 0 0 0 0 0 1 6 8 1 1 1 1 0 1 100 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 0 0; 1HNMR: 72 71 m 2H | 71 70 ddd 1H J 11 75 83 | 68 68 dd 1H J 13 81 | 42 41 m 1H | 40 40 m 1H | 32 31 m 1H | 30 29 ddd 1H J 9 61 159 | 28 27 ddd 1H J 9 60 159 | 25 24 d 2H J 62 | 21 20 dq 1H J 55 148 | 18 17 dq 1H J 57 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C(=O)CSc2cc(-c3ccc(C(F)(F)F)cc3)ccc21
ir: 3 2 3 2 2 4 4 4 2 4 3 3 4 8 4 2 1 2 3 2 8 4 6 2 1 0 0 0 0 2 3 3 2 3 1 1 1 1 6 1 1 1 3 5 2 1 0 1 1 1 4 3 7 59 65 7 5 5 1 1 1 3 2 2 2 19 2 9 2 1 0 0 0 7 0 0 1 0 0 0 0 0 1 2 1 3 6 3 0 0 1 1 1 0 2 2 7 6 8 6 16 3 0 1 13 0 1 1 0 1 1 3 47 5 1 1 0 6 4 3 4 3 5 7 3 2 3 1 3 14 7 6 2 0 0 0 1 0 0 1 8 2 1 2 1 5 22 10 40 9 9 11 8 15 100 6 1 0 0 1 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 1 2 1 1 1 1 1 1 2 9 15 4 4 32 24 9 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 4H | 77 77 d 1H J 76 | 77 76 dq 2H J 14 109 | 76 75 dd 1H J 22 75 | 39 39 s 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1ccc(Br)cc1F)C(=O)OC(C)(C)C
ir: 5 8 21 10 11 32 24 8 12 8 32 27 17 10 9 7 6 2 2 1 1 1 2 1 1 3 7 4 4 4 2 1 1 2 5 1 1 6 9 4 2 1 3 4 3 5 1 2 4 5 9 7 4 4 34 1 6 5 4 4 3 5 2 3 2 8 5 21 11 3 1 0 1 1 1 1 1 2 3 3 3 4 1 1 1 1 2 4 4 2 5 7 54 21 7 4 5 3 3 1 4 4 2 4 4 2 2 1 1 1 1 3 3 5 3 2 7 10 42 12 50 13 38 26 15 14 26 16 5 6 33 18 11 19 10 6 4 2 2 2 2 3 11 8 6 3 3 9 30 16 25 100 26 8 3 3 2 0 1 7 2 1 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 2 3 3 4 4 1 2 2 1 3 4 2 4 4 11 14 21 84 7 34 41 58 10 8 5 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 1H | 73 72 m 2H | 47 46 m 2H | 30 30 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nn1cccc1C(=O)c1ccc[nH]1
ir: 5 3 4 2 2 4 5 4 17 4 5 2 1 3 4 2 2 3 4 3 2 3 3 2 2 3 5 3 2 3 4 2 2 4 3 3 50 42 0 6 3 10 3 7 8 4 3 3 3 3 3 4 4 4 13 13 50 10 5 5 4 7 5 3 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 5 6 5 5 6 34 4 4 4 2 2 4 7 2 2 4 3 1 2 4 4 6 7 5 3 1 3 9 5 2 3 5 3 1 2 5 3 1 17 7 7 5 3 5 3 2 5 6 3 0 5 15 100 12 3 3 6 10 31 21 7 12 5 9 62 87 11 13 11 8 16 12 5 4 3 4 3 4 8 7 4 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 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 3 4 6 4 4 9 28 25 30 10 7 4 2 3 4 3 2 3 4 3 5 6 17 17 3 5 4 5 5 5 14 19 5 34 16 3 3 4 4 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 75 74 dd 1H J 16 68 | 73 73 dd 1H J 16 49 | 72 71 m 2H | 69 69 dd 1H J 16 64 | 65 64 dd 1H J 37 64 | 62 61 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccc2c(=O)[nH]c3cc(C(F)(F)F)ccc3n12
ir: 3 3 4 2 3 2 3 3 1 3 1 4 1 1 1 1 1 2 4 1 2 3 5 2 4 11 2 1 1 2 9 2 2 2 2 5 6 3 1 5 4 1 100 8 4 5 3 0 1 2 2 0 4 3 11 8 4 3 3 2 6 3 2 2 1 2 3 14 5 1 1 1 2 5 4 4 2 1 1 1 1 1 1 4 1 1 1 1 2 1 1 1 2 3 6 4 4 9 5 14 5 4 6 10 3 2 2 4 2 1 1 2 5 24 6 4 6 4 2 2 6 7 5 2 5 16 3 9 2 2 2 3 7 9 4 3 4 1 1 1 1 2 2 7 33 8 5 8 1 1 1 4 2 11 8 16 5 4 1 45 6 2 1 1 1 11 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 2 3 2 2 2 1 1 1 2 3 4 5 1 4 10 15 9 5 6 3 5 3 2 1 1 1 1 1 1 1 1 1 1 1 2 2 5 21 16 9 11 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 3H | 76 75 d 1H J 70 | 67 66 dt 1H J 9 70 | 42 41 q 2H J 66 | 31 30 td 2H J 9 81 | 27 27 t 2H J 80 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Cc1cc(Cl)cc([N+](=O)[O-])c1
ir: 11 5 5 3 1 4 2 2 2 7 16 5 2 5 3 3 4 4 6 6 2 2 10 14 4 3 2 3 10 11 18 17 16 23 15 5 3 6 20 1 1 1 1 0 1 1 1 1 4 5 2 5 4 2 2 1 1 2 3 1 1 4 8 4 7 58 48 36 12 11 4 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 2 1 2 3 19 39 18 27 7 3 4 4 3 8 6 2 2 1 2 3 17 16 9 3 1 1 3 3 1 2 2 8 17 51 20 14 32 27 18 19 30 24 20 25 29 26 9 6 1 2 2 1 1 1 2 1 2 32 43 47 27 6 2 1 2 2 1 1 1 1 6 48 2 3 10 11 2 2 1 0 1 2 1 0 1 1 1 0 1 2 2 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 3 4 4 3 3 3 3 5 13 3 2 1 2 6 9 29 61 41 67 100 53 6 11 7 4 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 82 81 m 2H | 76 75 tt 1H J 9 21 | 37 37 d 2H J 9 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CBr
ir: 1 2 3 2 1 3 6 4 2 13 26 12 22 16 13 18 11 8 6 2 3 3 7 6 5 9 17 2 1 5 3 7 12 4 4 3 4 8 13 12 6 6 4 1 8 7 6 1 4 5 3 1 2 4 3 4 16 7 4 9 4 9 4 1 5 11 3 1 4 5 2 0 2 3 2 0 2 2 1 0 2 2 1 1 2 4 3 2 5 9 23 6 5 5 2 2 5 10 4 10 16 10 4 6 4 8 13 15 4 26 97 10 13 15 16 11 7 9 9 9 10 8 6 5 5 11 10 22 28 19 17 43 33 14 6 4 3 1 0 3 3 2 4 12 24 10 59 100 13 4 2 1 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 0 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 2 4 4 2 4 4 9 14 11 8 5 3 5 26 14 14 81 4 3 2 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 45 45 tt 1H J 18 59 | 40 39 m 2H | 37 36 m 1H | 36 35 m 1H | 23 22 m 1H | 21 18 m 4H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NOCC(O)CO)c1cc2ocnc2c(F)c1Nc1ccc(I)cc1F
ir: 4 4 3 4 3 14 17 18 9 11 5 7 6 6 9 3 3 2 9 14 9 4 18 10 11 11 12 12 13 15 8 4 10 11 6 0 3 4 4 4 12 7 7 9 4 5 3 2 7 7 1 2 3 9 23 30 11 9 1 1 1 1 1 0 1 0 7 15 3 3 1 1 3 6 1 2 3 3 1 1 6 10 1 14 10 8 25 11 4 9 6 7 12 5 12 11 13 22 29 9 4 6 5 2 2 3 4 2 6 9 1 2 1 1 1 9 7 2 1 3 2 2 5 2 2 2 14 3 3 5 0 2 2 0 1 2 2 1 4 3 7 1 0 4 11 19 16 76 16 26 12 9 8 7 4 2 7 11 2 0 1 4 3 6 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 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 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 3 4 32 16 14 6 24 44 20 9 27 9 6 1 0 1 1 1 1 2 4 3 5 11 12 6 23 100 29 12 5 2 4 2 1 1 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 t 1H J 40 | 83 83 s 1H | 77 76 s 1H | 75 74 m 2H | 71 70 dd 1H J 47 71 | 40 39 m 2H | 38 36 m 4H | 36 35 m 1H | 35 35 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CCc1ccccc1)NC1CSCCN(C(C)C(=O)O)C1=O
ir: 4 5 6 6 1 2 6 8 8 7 5 7 3 6 7 13 13 14 6 10 21 14 26 41 38 41 13 11 12 14 24 16 11 6 6 7 6 13 19 59 33 12 7 4 14 14 8 28 21 5 10 6 5 6 14 43 25 13 7 13 11 5 8 2 9 1 5 5 9 13 3 4 5 8 6 6 14 18 26 3 10 9 4 35 51 58 22 16 15 13 11 5 4 5 8 14 2 5 13 9 8 8 4 5 0 15 6 7 18 20 13 16 15 18 7 20 10 15 8 15 11 28 24 14 27 19 50 18 4 11 11 11 4 5 15 16 17 5 10 7 3 7 8 9 15 4 68 11 10 2 1 11 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 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 2 2 4 4 4 3 2 6 4 3 2 3 4 4 4 5 13 34 15 14 52 14 16 4 3 3 4 4 10 36 51 8 1 2 5 2 5 5 10 9 100 34 12 3 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 1; 1HNMR: 73 72 m 3H | 71 71 ddq 2H J 8 16 68 | 44 43 q 1H J 75 | 42 41 m 2H | 40 39 m 2H | 38 37 dt 1H J 67 117 | 37 36 dt 1H J 68 117 | 35 34 dt 1H J 64 90 | 32 30 m 1H | 29 28 m 1H | 28 27 m 2H | 28 27 m 1H | 27 26 dtt 1H J 9 88 145 | 21 20 dtd 1H J 64 88 141 | 19 17 dtd 1H J 65 87 141 | 14 13 d 3H J 75 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCCc1ccc(Cl)c(Br)c1
ir: 13 11 6 10 11 7 5 3 6 5 3 4 7 3 2 5 5 6 5 3 5 2 1 3 3 1 2 5 4 2 2 3 4 4 7 6 4 3 3 7 5 2 2 6 5 8 2 5 4 2 3 5 4 13 22 21 5 1 4 6 4 1 4 6 3 0 8 16 8 5 5 7 5 1 5 6 4 5 9 9 7 6 11 6 6 11 24 13 14 31 31 47 34 7 14 8 10 7 12 6 5 3 5 4 2 3 6 5 4 6 8 8 3 5 8 10 6 5 6 4 2 4 5 6 4 4 4 2 1 3 4 2 2 4 6 1 2 44 4 2 2 3 3 2 2 3 5 6 85 7 4 1 9 5 3 1 1 4 3 1 5 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 1 1 3 3 2 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 4 4 2 2 3 4 1 2 4 4 4 5 7 7 5 6 7 9 5 12 13 14 7 9 8 4 4 16 27 17 12 20 59 15 5 13 12 16 24 72 100 30 33 13 6 6 6 5 5 5 3 8 6 3 3 6 6 3 5 4 6 5 7 10 7 3 3 5 4 3 3 3 3 3 3 4 3 2 3 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 73 72 m 2H | 70 70 ddt 1H J 8 19 81 | 39 38 td 2H J 58 69 | 26 26 tt 2H J 9 77 | 21 21 t 1H J 59 | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(c1ccccc1F)c1c[nH]c2ccc(Cl)cc12
ir: 2 4 3 1 0 1 4 2 2 2 3 2 1 1 1 3 1 1 4 1 9 2 2 1 2 10 2 1 1 1 1 0 0 1 1 4 1 1 1 1 4 36 4 7 4 2 1 1 2 6 1 1 1 15 7 3 1 2 1 1 1 1 1 1 1 2 3 1 6 15 6 1 1 1 1 2 4 9 1 1 1 1 2 2 1 1 2 3 4 10 1 2 9 6 3 5 3 2 2 5 12 2 2 1 0 1 1 1 61 1 0 1 2 1 1 1 1 1 1 4 4 2 5 6 6 1 1 1 1 1 1 2 2 1 1 1 2 6 0 3 4 4 7 8 2 1 1 1 4 6 1 1 8 14 14 1 1 0 3 1 1 0 2 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 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 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 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 3 3 18 33 18 10 3 5 2 7 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 100 2 3 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 1 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 91 d 1H J 71 | 77 77 d 1H J 23 | 74 73 m 3H | 73 73 m 1H | 73 72 m 2H | 72 71 ddd 1H J 15 78 102 | 53 53 dhd 1H J 9 14 28 | 24 24 d 6H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)N(NC(=O)c1ccccn1)C(=O)c1ccc(Cl)c(Cl)c1
ir: 0 1 1 3 20 14 2 1 1 1 1 1 1 1 1 1 2 6 3 1 0 1 1 0 0 1 1 2 12 3 1 1 0 2 4 4 6 8 73 29 22 10 2 0 1 3 22 28 12 12 3 2 1 11 27 4 3 1 1 1 2 2 1 2 7 2 1 1 4 7 1 1 0 1 1 0 2 1 1 15 3 1 1 1 2 1 1 1 1 1 1 1 3 2 1 1 1 1 5 2 10 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 1 2 2 3 2 9 5 2 2 2 10 2 3 33 21 10 7 2 6 51 6 2 1 1 3 2 1 100 21 1 14 6 1 5 4 4 3 43 1 1 0 10 0 1 2 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 1 1 2 2 3 8 2 8 25 12 4 2 1 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 3 1 7 30 13 9 4 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 99 99 s 1H | 87 87 dd 1H J 16 42 | 80 80 dd 1H J 14 77 | 80 79 d 1H J 21 | 79 78 td 1H J 17 77 | 77 77 dd 1H J 20 86 | 76 76 d 1H J 86 | 74 74 ddd 1H J 13 42 73 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C#N)cc2c(c1C(=O)O)CCCC2
ir: 3 2 1 1 3 1 0 2 2 2 1 4 6 5 2 3 4 2 15 9 12 39 100 7 19 5 3 3 3 1 1 2 3 2 1 2 2 1 1 3 2 10 2 5 2 1 1 2 2 2 2 3 2 1 2 5 7 1 2 2 1 0 2 3 6 0 2 5 4 1 4 2 2 1 2 5 1 1 86 3 8 4 1 2 2 2 3 3 2 1 5 2 23 10 4 2 4 7 3 3 2 1 2 4 2 2 2 3 3 6 5 3 4 2 3 4 2 2 5 4 9 6 4 6 2 2 2 2 2 2 2 1 1 7 3 1 1 13 7 3 4 11 44 3 2 2 2 2 13 2 2 1 2 8 4 1 1 2 1 4 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 6 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 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 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 2 2 2 1 2 4 4 2 2 3 3 2 3 10 18 2 3 4 12 1 2 2 1 0 2 5 83 26 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 75 75 t 1H J 9 | 39 39 s 2H | 32 31 m 2H | 28 27 m 2H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(CCN)c1ccnc2cc(Cl)ccc12
ir: 5 13 5 1 21 9 2 1 1 2 2 1 6 2 3 1 1 1 1 2 1 2 5 11 14 1 2 1 2 1 1 1 3 3 0 1 3 1 2 5 1 2 2 3 11 12 15 16 46 9 8 18 18 16 19 6 8 2 22 24 3 3 3 1 3 6 5 15 50 31 3 12 17 70 84 50 19 3 3 3 9 19 35 13 5 2 8 15 13 28 4 5 9 100 21 9 12 5 2 1 2 2 0 1 1 2 3 3 2 4 4 6 3 4 4 6 7 6 5 5 2 12 26 27 9 7 6 5 8 8 20 35 30 22 24 23 16 10 1 2 2 1 2 3 4 5 4 5 3 2 2 16 5 2 3 48 36 7 5 69 12 3 2 2 1 5 4 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 1 1 1 0 1 0 1 0 0 1 1 1 0 1 1 0 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 5 17 10 9 15 60 10 14 6 6 5 2 0 3 7 7 13 34 52 81 20 3 0 9 6 8 100 26 6 2 1 2 1 1 1 2 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 88 87 d 1H J 48 | 81 80 d 1H J 21 | 80 80 d 1H J 88 | 74 74 dd 1H J 21 87 | 74 73 dd 1H J 8 47 | 39 38 m 1H | 29 28 dtt 1H J 48 64 128 | 28 27 dddt 1H J 48 60 71 123 | 27 26 m 2H | 23 23 d 6H J 15 | 21 20 ddt 1H J 49 75 135 | 18 18 ddt 1H J 48 73 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CCCOc1cc(C)c(Br)c(C)c1
ir: 7 8 10 11 11 10 8 8 8 9 8 13 14 19 21 13 14 13 16 10 15 13 20 13 7 7 7 7 8 8 10 9 9 9 10 6 7 7 7 9 7 12 10 8 8 8 7 6 7 7 7 7 7 8 7 10 8 8 7 7 9 10 20 0 34 15 17 30 32 21 57 73 50 25 10 12 10 9 7 8 7 8 8 7 7 7 7 7 7 8 9 9 8 9 9 9 9 19 11 11 7 8 15 9 9 15 15 10 10 15 7 14 16 12 9 15 16 11 14 12 10 16 17 19 40 19 24 11 13 11 12 10 10 39 28 16 23 14 12 14 19 73 13 20 14 9 7 7 7 7 6 7 7 7 12 9 30 8 7 8 21 100 18 8 7 6 7 7 7 6 7 9 7 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 7 6 6 6 6 6 6 7 7 6 6 6 6 6 6 7 7 6 6 7 7 6 6 7 7 8 7 11 13 11 11 11 14 16 13 12 10 15 15 11 23 69 42 23 42 63 41 21 12 9 8 9 8 7 7 7 8 6 6 7 7 6 7 7 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 67 67 s 2H | 41 41 t 2H J 61 | 26 26 t 2H J 86 | 23 23 s 6H | 22 21 s 2H | 20 19 tt 2H J 61 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C)c2c(c(OS(=O)(=O)c3ccc(C)cc3)c1CC1=C(C)C(=O)CC1)C(=O)OC2
ir: 9 7 7 6 9 15 12 11 73 17 21 16 10 9 15 7 8 8 6 6 8 8 6 7 17 6 7 13 7 7 6 9 11 6 6 6 6 6 11 14 6 5 6 7 10 25 14 11 7 14 7 6 13 37 6 17 8 10 10 6 7 6 8 7 8 20 31 18 10 9 8 8 7 7 7 6 5 7 7 9 7 27 9 14 100 11 6 6 20 11 21 10 8 37 49 7 7 6 7 8 8 6 8 13 9 6 5 6 6 5 6 6 6 9 7 7 8 6 15 23 12 9 18 15 8 32 8 7 7 7 7 6 6 6 9 7 7 6 6 5 6 7 7 10 8 59 12 15 8 9 6 5 10 30 21 3 18 0 4 8 7 4 5 7 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 6 7 5 6 6 6 9 8 11 7 6 7 7 7 10 18 12 17 29 13 18 8 6 6 6 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 78 77 m 2H | 74 73 m 2H | 53 53 s 2H | 38 38 s 3H | 37 36 q 2H J 9 | 25 24 m 5H | 24 24 d 3H J 10 | 22 22 s 3H | 19 18 p 3H J 10
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](COS(C)(=O)=O)CC(COS(C)(=O)=O)Cc1ccccc1
ir: 14 26 12 11 9 38 8 8 4 7 2 7 3 2 4 2 4 2 1 1 1 2 2 3 2 2 1 4 10 8 19 23 29 28 8 6 57 18 9 27 44 9 4 2 2 3 4 0 3 3 5 1 3 2 3 2 3 17 17 2 3 4 4 1 2 3 3 14 24 25 5 3 34 49 17 26 12 5 10 5 6 2 1 2 4 11 5 12 100 7 8 5 1 1 4 5 5 6 12 28 33 31 13 7 2 4 5 10 6 5 2 5 1 3 11 7 4 6 9 9 5 13 22 23 8 6 5 4 5 8 4 7 3 3 4 11 2 2 2 3 3 3 5 10 10 37 23 7 1 53 9 3 5 1 1 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 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 8 9 5 1 2 2 6 2 4 3 6 6 8 7 85 57 21 15 25 14 11 5 1 2 2 1 1 2 2 2 4 2 2 1 2 2 2 2 1 2 7 4 22 39 17 12 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 3H | 72 71 ddt 2H J 9 17 72 | 47 46 m 1H | 42 41 m 1H | 41 40 dd 1H J 65 120 | 40 39 m 2H | 38 37 dd 1H J 65 120 | 31 30 d 6H J 48 | 29 28 ddt 1H J 9 79 135 | 27 26 ddt 1H J 9 80 135 | 21 20 m 1H | 18 17 ddd 1H J 72 87 141 | 16 15 ddd 1H J 71 87 141 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc2sccc2c1
ir: 2 1 1 9 3 7 2 1 2 1 0 2 7 2 1 2 3 2 3 4 5 3 1 2 2 0 0 6 20 14 35 8 2 6 8 3 1 2 1 1 1 0 1 1 1 0 2 2 3 4 2 3 14 27 31 22 13 1 2 2 1 1 3 4 3 6 22 14 24 10 4 3 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 2 6 3 8 4 8 17 81 6 1 2 2 3 1 2 2 1 1 1 2 1 1 1 3 2 15 2 5 1 2 3 6 5 1 1 5 23 100 18 4 6 2 2 12 12 23 3 2 1 0 2 19 10 2 7 8 55 21 52 14 9 5 28 3 4 4 7 9 4 2 1 1 0 1 2 40 2 1 1 1 0 1 1 1 0 1 1 1 0 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 4 2 1 1 1 2 2 3 4 6 4 6 5 6 10 16 51 25 55 74 31 6 5 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 77 76 d 1H J 78 | 75 74 d 1H J 54 | 74 74 t 1H J 23 | 73 73 dd 1H J 22 55 | 72 72 dd 1H J 25 80 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc2[nH]nc(-c3ccccc3)c2c(C)n1
ir: 3 2 2 1 1 2 2 2 2 3 10 12 5 9 5 10 16 8 4 9 6 7 3 3 8 24 17 1 3 3 5 12 18 24 11 12 17 18 30 19 9 42 100 26 8 1 1 3 2 0 2 2 1 0 2 3 2 0 7 7 2 1 5 4 4 4 14 13 40 32 4 5 2 2 3 2 6 3 2 2 2 1 2 2 8 8 7 3 2 2 2 2 2 2 9 4 4 6 11 4 12 14 8 4 2 2 2 8 6 7 50 28 8 7 24 12 0 6 4 13 14 10 6 7 9 4 3 3 5 4 4 7 25 27 17 19 36 8 6 3 2 2 2 8 12 17 9 15 19 3 6 7 7 34 17 2 2 1 2 3 4 22 45 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 2 2 2 2 2 3 3 2 2 3 3 7 13 15 9 42 98 22 16 14 8 5 4 2 2 2 2 2 2 2 2 2 2 1 1 2 3 2 1 2 2 8 17 38 8 7 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 76 75 m 2H | 74 73 m 2H | 29 28 s 3H | 28 28 qd 2H J 9 71 | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(O)cc(OS(=O)(=O)C(F)(F)F)c(C)c1C(=O)OC
ir: 4 6 4 6 15 5 3 15 19 12 9 9 9 6 10 12 9 5 23 7 6 7 6 5 11 9 7 2 2 6 5 3 3 3 3 8 1 3 2 1 2 2 2 1 1 2 3 2 2 9 2 2 2 2 2 1 1 2 1 2 2 9 3 2 2 1 2 3 10 3 19 4 5 7 2 2 4 5 12 5 5 3 1 1 7 39 9 5 9 6 9 14 5 2 3 2 2 11 3 5 4 2 1 1 1 1 1 1 2 3 17 6 1 1 1 1 1 2 3 2 8 14 2 2 3 4 1 2 3 1 1 2 3 3 2 2 3 4 2 3 3 5 6 4 5 1 17 9 9 4 3 1 2 2 2 3 23 1 2 3 19 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 1 1 1 1 1 1 2 2 2 2 5 2 2 7 5 1 3 9 7 100 7 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 1 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: 68 67 s 1H | 39 39 s 3H | 39 39 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(COCCSC)[nH]c(=O)c1OCc1ccccc1
ir: 1 4 3 2 3 2 2 10 13 4 6 8 9 14 13 4 2 4 1 1 0 1 1 1 1 2 2 23 26 8 3 10 3 5 6 6 3 6 20 26 36 36 10 2 4 8 19 29 29 16 16 1 4 3 5 10 3 5 3 1 3 2 4 1 3 12 4 15 11 21 26 4 7 3 7 11 5 3 1 1 1 2 1 0 1 1 1 1 5 4 5 5 2 1 1 2 2 3 5 2 1 3 3 14 2 2 2 2 3 2 2 2 4 7 7 8 6 20 9 4 10 7 4 4 2 3 3 4 5 5 3 2 3 3 4 13 28 4 2 0 2 14 20 40 12 16 100 7 2 4 3 8 5 13 1 2 1 0 1 6 19 67 4 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 1 1 0 0 0 1 1 0 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 0 1 0 1 1 1 1 1 1 1 0 0 1 0 1 1 0 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 2 2 2 2 2 4 3 10 13 23 21 58 26 6 5 3 3 1 2 1 1 2 1 1 1 1 1 1 1 2 6 10 10 5 5 4 15 49 8 4 2 1 1 1 1 1 2 2 3 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 1 0 0 1 0 0 1 1; 1HNMR: 74 73 m 6H | 53 52 m 2H | 46 46 s 2H | 44 43 q 2H J 71 | 37 36 t 2H J 53 | 28 27 t 2H J 53 | 21 20 s 3H | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1c(Br)c2c3c(nc(Br)n3CCC2)c1Br
ir: 2 9 10 5 0 5 9 5 2 100 14 26 21 9 7 9 3 5 7 4 2 6 7 3 4 43 16 4 2 6 9 3 2 7 7 2 5 7 6 2 6 10 12 8 4 11 5 1 4 8 8 5 13 10 4 5 10 9 5 1 4 8 4 1 5 7 5 1 5 8 8 1 5 7 3 2 6 16 6 3 6 9 3 4 7 6 3 3 6 6 2 3 7 6 1 4 8 6 2 4 10 18 5 5 8 5 1 4 10 6 12 78 34 17 29 9 10 23 15 13 15 27 18 16 9 17 27 15 9 7 11 9 8 6 12 8 6 9 80 6 6 3 2 6 9 4 4 7 6 2 3 7 6 2 11 6 7 2 4 7 5 2 4 7 5 2 4 7 5 1 4 8 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 7 3 2 5 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 2 3 6 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 6 4 2 5 6 4 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 3 4 7 6 4 5 8 6 3 7 10 13 10 9 15 8 6 6 12 10 14 28 23 7 2 5 6 4 2 5 7 4 2 5 6 4 2 5 6 4 3 5 6 3 3 5 6 3 3 6 6 3 3 6 5 3 3 6 5 3 4 6 5 3 4 6 5 2 4 6 5 2 4 7 5 2 4 7 4 2 4 7 4 2 5 6 4 2 5 6 4 2 5 6 4 3 5 6 4 3 5 6 3 3 5 6 3 3 5 5 3 3 6 5 3 3 6 5 3 4 6 5 3 4 6 5 2 4 6 5 2 4 6 4 2 4 6; 1HNMR: 42 41 m 2H | 32 32 m 2H | 23 22 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C1(NCC(=O)N(C)C)C(=O)Nc2ccc(Cl)cc21
ir: 4 7 20 18 7 8 3 9 53 4 8 7 16 11 7 4 4 5 12 7 1 2 3 1 6 6 4 5 6 4 6 11 24 8 10 34 10 6 38 3 34 16 69 7 6 4 5 11 24 6 11 9 5 14 66 4 7 9 4 7 5 4 6 12 20 20 20 7 6 4 3 4 6 5 5 5 2 2 2 1 1 3 7 10 3 3 4 4 2 2 6 3 5 3 2 1 2 3 4 27 8 4 2 40 3 2 3 3 25 32 7 6 8 5 5 12 3 12 31 43 22 24 3 10 17 51 26 8 9 6 9 34 3 3 3 3 2 13 24 4 5 4 12 5 21 10 27 17 4 7 26 18 7 2 3 14 100 9 5 3 3 19 4 3 3 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 2 1 2 1 1 1 1 2 2 1 1 2 1 3 3 2 3 1 2 3 3 1 9 7 16 27 76 21 25 5 3 4 2 4 2 3 2 2 3 3 2 5 4 8 15 58 81 73 36 64 34 10 2 5 12 2 2 2 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 91 91 s 1H | 76 75 d 1H J 22 | 75 75 d 1H J 79 | 74 73 dd 1H J 14 77 | 73 72 m 2H | 72 71 td 1H J 13 74 | 69 69 dd 1H J 12 71 | 41 41 t 1H J 58 | 39 38 dd 1H J 58 160 | 38 37 dd 1H J 58 160 | 36 36 s 3H | 29 29 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2nc(C3CCNCC3)cnc2c1
ir: 2 2 1 13 6 6 2 2 2 2 4 2 1 2 6 5 9 17 14 5 27 29 3 2 1 1 1 3 2 2 1 1 2 4 2 7 5 11 34 24 14 7 31 27 65 5 11 17 11 5 3 4 3 2 7 9 11 6 5 10 5 3 5 9 11 4 4 2 5 3 10 5 8 21 24 12 3 2 1 1 1 2 1 17 12 12 2 1 2 1 1 9 20 8 5 4 6 10 8 6 4 3 3 2 3 6 6 2 4 4 3 6 13 15 24 71 39 9 10 4 2 3 4 4 9 7 9 22 14 12 5 3 4 1 4 2 2 21 18 3 1 3 4 1 4 9 39 62 8 5 5 2 1 1 3 2 12 1 1 2 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 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 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 3 1 3 3 1 2 3 2 4 2 12 7 7 29 61 33 17 4 2 2 1 1 1 2 2 4 2 2 4 1 1 2 3 17 100 26 1 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 80 80 dd 1H J 15 82 | 80 79 dd 1H J 13 82 | 78 77 td 1H J 13 85 | 76 75 td 1H J 13 84 | 32 31 m 3H | 30 29 dddd 2H J 31 38 59 132 | 23 22 p 1H J 38 | 22 21 dtd 2H J 31 60 152 | 19 18 dtd 2H J 31 60 152
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2ncc(Cl)cc2Cl)n[nH]1
ir: 6 3 28 8 6 3 16 12 4 3 21 4 10 4 4 2 1 2 2 2 1 2 2 1 1 2 3 4 5 14 9 4 5 2 7 19 47 18 7 1 6 13 17 14 5 6 5 9 22 100 23 11 4 5 6 5 1 4 4 2 6 2 2 1 4 7 10 7 4 2 6 5 10 5 10 1 3 2 2 2 2 3 33 7 4 2 1 1 2 7 2 2 2 2 2 8 15 6 14 20 57 17 13 3 2 1 1 1 2 1 1 3 3 10 9 36 5 3 12 48 6 3 0 3 4 66 7 5 4 9 67 37 9 1 2 3 6 1 92 10 5 5 2 58 9 4 2 4 4 4 3 3 25 4 3 4 8 62 22 21 5 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 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 2 2 1 2 2 6 2 5 4 7 28 14 19 6 2 3 3 2 1 2 1 2 2 2 3 2 1 1 2 2 2 3 5 4 5 8 49 71 23 14 6 4 5 2 3 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 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 d 1H J 16 | 78 77 d 1H J 16 | 59 59 s 1H | 23 23 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2sc(C(=O)O)cc12
ir: 4 3 3 3 4 4 4 4 4 6 8 6 10 7 3 19 11 4 4 3 3 6 20 45 37 5 3 5 4 3 3 4 4 3 6 5 4 3 3 4 4 3 3 5 4 18 25 4 4 5 5 6 5 3 4 4 4 4 3 4 4 3 4 4 3 3 4 4 3 4 4 9 7 3 4 5 5 5 19 38 13 4 4 4 3 3 4 4 3 4 5 7 4 3 4 4 6 5 7 6 3 3 4 4 3 4 4 4 3 3 4 3 4 8 5 4 3 4 4 3 4 18 4 4 3 4 4 3 3 4 5 4 8 4 4 6 4 5 4 17 3 8 23 3 2 5 5 0 42 2 3 4 4 6 9 4 4 5 3 4 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 4 3 4 4 4 3 4 4 3 3 3 4 4 3 4 5 5 4 6 12 24 10 6 6 4 3 4 5 100 85 5 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 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 3 3; 1HNMR: 81 81 s 1H | 78 78 dd 1H J 16 62 | 74 73 dd 1H J 63 72 | 73 73 m 1H | 73 73 s 0H | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccc(O)c(F)c1
ir: 8 8 10 2 1 3 2 2 2 4 4 2 3 0 1 2 1 2 0 0 1 0 1 3 1 0 1 1 1 1 1 1 1 1 2 1 1 1 4 5 5 10 9 13 7 10 4 1 6 3 7 14 22 26 20 1 3 3 12 4 3 7 1 4 9 3 3 4 4 14 3 3 1 1 3 4 2 1 16 66 50 12 3 1 5 2 6 4 5 6 2 2 8 4 1 6 3 2 1 1 2 9 2 1 2 1 1 1 15 10 4 2 1 5 18 26 11 2 7 2 1 1 2 3 3 2 3 9 3 1 1 0 1 2 8 4 2 0 0 0 1 2 4 4 11 3 1 3 10 24 9 7 12 4 5 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 2 2 2 4 4 24 25 31 12 6 3 2 3 7 100 71 5 2 1 1 1 1 3 1 3 12 20 6 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 73 m 2H | 72 72 m 2H | 69 68 m 6H | 67 66 m 2H | 61 60 d 1H J 35 | 40 40 t 2H J 42 | 29 28 q 2H J 44 | 26 26 d 3H J 48 | 25 24 h 1H J 48 | 24 23 q 2H J 73 | 11 10 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2c(cc1OCCCO)-c1n[nH]c(Nc3cccc(F)c3)c1C2
ir: 3 3 5 8 2 1 4 2 5 6 33 12 5 1 1 1 2 4 1 47 9 6 2 1 3 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 5 1 32 53 2 1 3 1 1 1 1 2 1 2 2 2 2 4 1 5 10 30 52 22 13 5 6 4 5 10 5 5 3 3 2 3 4 5 3 4 3 5 6 5 9 22 6 3 6 6 3 1 2 1 1 3 3 1 2 2 2 8 1 1 3 9 2 0 2 2 2 2 4 15 14 24 41 7 18 12 19 1 9 14 10 11 3 16 4 3 2 3 10 2 1 6 4 2 1 1 1 1 0 4 1 1 1 4 13 6 4 16 4 1 1 1 1 3 10 7 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 2 4 2 2 1 4 2 1 3 7 7 6 18 100 26 8 14 8 10 11 22 19 9 13 10 25 13 13 11 10 1 2 5 4 3 2 5 41 60 11 4 2 2 2 4 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 73 73 m 1H | 73 73 s 1H | 73 72 td 1H J 51 76 | 71 71 q 1H J 8 | 71 70 ddd 1H J 12 22 75 | 67 66 dddd 1H J 11 21 75 99 | 42 41 dt 4H J 62 124 | 38 37 q 2H J 61 | 34 34 d 2H J 9 | 28 27 t 1H J 58 | 21 20 p 2H J 62 | 15 14 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2c(OC(C)C)cccc2[nH]1
ir: 2 2 3 3 2 4 4 4 2 4 4 5 9 19 38 14 86 87 79 16 7 2 3 6 4 1 2 3 3 8 4 6 3 5 4 3 3 1 2 4 2 2 1 5 9 39 65 98 23 7 6 5 3 3 3 1 3 3 2 3 8 3 2 2 3 3 2 2 2 2 3 3 3 4 2 5 10 8 6 6 11 9 11 11 7 4 3 2 2 2 2 2 4 9 6 4 3 8 14 10 1 2 2 2 1 3 2 5 30 22 15 8 4 6 12 30 20 19 10 10 6 5 6 26 67 45 9 6 17 7 12 9 11 4 2 3 2 10 18 4 5 6 24 27 39 22 6 4 2 21 60 4 3 2 2 2 3 8 11 62 100 6 1 4 2 0 2 3 2 0 1 3 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 3 2 2 3 2 1 2 3 3 3 3 4 5 12 15 21 16 8 49 29 13 9 13 2 3 2 2 2 3 3 3 1 2 2 2 2 3 4 2 3 5 29 54 48 26 18 23 5 2 2 4 3 2 1 2 1 2 2 3 2 1 2 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 2 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 2 1 1 2 1 1 1 2; 1HNMR: 94 94 s 1H | 78 78 s 1H | 72 72 m 2H | 69 69 dd 1H J 29 61 | 46 46 dt 1H J 57 113 | 40 40 s 3H | 13 13 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@@H]1C(=O)OC[C@@H]1O
ir: 1 2 3 1 2 3 3 1 0 2 2 1 0 2 2 1 1 2 3 4 3 3 2 2 1 3 3 2 1 2 2 1 1 1 2 1 1 1 1 0 1 2 2 0 1 2 1 0 1 2 2 1 2 3 2 1 2 2 1 1 1 2 1 1 2 3 2 6 8 2 3 4 6 3 1 1 2 3 4 3 2 2 1 1 2 2 9 19 27 14 7 2 3 3 1 2 4 2 0 2 3 2 3 2 2 1 0 2 3 5 1 7 10 7 5 3 5 3 1 2 2 1 1 1 2 2 0 1 2 1 1 1 2 1 1 1 2 2 5 2 2 1 1 2 11 11 1 2 2 0 0 1 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 3 4 3 2 6 6 3 1 5 4 5 1 3 7 3 5 6 9 64 100 25 3 3 3 2 4 2 2 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 58 57 m 1H | 52 51 m 1H | 50 49 ddt 1H J 12 23 165 | 44 43 m 2H | 43 43 d 1H J 52 | 42 41 dd 1H J 38 112 | 26 25 m 1H | 25 24 m 1H | 23 22 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nc2ccccc2s1)c1cn(-c2ccccc2)c2ccccc2c1=O
ir: 1 1 3 1 2 2 2 3 1 2 3 1 0 2 5 2 2 1 2 1 0 11 2 0 1 2 2 1 1 7 3 1 1 6 2 5 2 2 3 5 4 11 45 13 10 7 2 0 1 3 2 0 1 5 2 0 4 35 16 8 8 6 2 1 2 3 4 4 15 4 1 0 2 2 2 1 2 6 2 1 2 3 1 2 3 10 1 1 5 1 0 0 2 2 1 1 5 3 1 1 3 3 3 1 2 1 5 1 2 2 0 1 2 1 0 1 5 2 8 3 2 3 1 2 2 1 1 2 2 2 9 3 5 2 32 10 3 2 9 29 6 5 4 9 7 2 1 6 11 6 84 14 34 49 21 5 3 2 4 7 3 2 32 2 25 2 2 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 3 3 3 3 7 15 38 21 14 8 12 7 4 2 1 3 2 1 2 2 2 1 2 2 2 2 1 2 4 3 2 13 100 17 5 2 3 5 3 3 2 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 s 1H | 84 84 dd 1H J 16 81 | 77 77 dd 1H J 13 70 | 77 76 m 2H | 76 76 ddd 1H J 17 72 81 | 74 73 m 3H | 73 72 td 1H J 14 74 | 72 72 dd 1H J 16 72 | 71 71 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCc1ccc2nc(-c3ccc(CCCCCCCC)cc3)sc2c1
ir: 1 1 1 1 5 2 2 2 2 2 2 1 1 2 3 7 29 20 7 2 1 1 2 1 0 0 1 1 1 1 0 3 2 0 2 2 1 3 5 5 7 1 2 1 6 3 3 1 2 2 1 1 7 23 51 26 15 14 5 3 1 1 1 1 1 2 4 5 5 4 7 1 1 1 1 0 1 1 0 1 1 12 1 1 0 1 2 5 3 2 3 1 1 1 1 1 3 5 9 8 2 1 3 2 20 4 8 13 10 3 4 10 16 10 7 4 12 8 10 23 8 7 2 4 9 3 6 2 0 2 2 2 2 2 12 6 1 2 0 1 0 1 2 7 6 1 0 0 1 4 32 5 23 3 1 1 0 0 0 0 0 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 4 4 10 8 5 2 2 3 4 1 4 32 8 19 37 100 17 6 2 4 2 2 3 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 77 77 dd 1H J 12 21 | 77 76 d 1H J 75 | 72 72 ddt 3H J 10 67 77 | 26 25 dtt 4H J 9 79 233 | 17 15 dp 4H J 76 190 | 13 12 m 28H | 9 9 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccnc(Cl)n1
ir: 0 2 1 3 1 2 1 1 1 3 2 3 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 2 1 2 3 15 10 15 6 3 2 1 1 1 1 4 4 6 2 1 2 1 1 1 1 2 1 6 1 1 1 1 1 1 2 2 3 2 1 1 1 1 2 4 6 9 6 7 1 2 2 2 4 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 2 2 1 1 3 8 6 3 3 2 2 2 4 1 0 1 2 1 0 2 12 2 8 8 23 5 35 1 1 1 1 2 4 68 6 0 1 2 3 70 5 100 4 2 2 3 3 7 13 3 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 2 2 3 5 6 1 22 11 13 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 46 | 66 65 d 1H J 48 | 51 50 p 1H J 61 | 14 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1ccc(OC(F)F)c(F)c1
ir: 2 1 1 2 3 4 3 2 1 2 3 3 4 5 2 2 3 2 1 1 2 2 2 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 3 1 4 2 2 2 6 13 38 20 5 9 7 25 15 1 3 19 3 14 32 14 4 3 6 4 3 11 17 9 4 32 66 20 16 96 35 12 11 5 6 1 4 3 1 1 24 5 7 2 2 3 1 4 2 2 0 1 2 5 2 1 2 1 0 1 2 1 0 1 2 1 0 2 3 4 2 2 5 4 7 6 4 3 8 8 12 11 7 7 8 12 17 79 22 7 2 4 5 1 2 3 19 3 1 2 2 1 2 16 2 1 4 3 1 0 1 2 1 0 1 3 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 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 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 1 1 2 2 1 1 2 1 1 1 2 1 1 3 3 7 4 4 22 17 4 2 2 2 2 3 3 2 2 4 7 8 32 23 6 7 13 5 1 6 100 43 5 1 1 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 71 69 m 3H | 67 67 s 0H | 40 39 tt 2H J 9 62 | 13 12 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CC(=O)CN1Cc1cccc(Cl)c1
ir: 8 2 5 3 4 3 5 48 1 5 3 3 1 5 25 3 5 39 3 1 1 4 9 3 6 2 2 1 20 11 4 2 4 3 3 23 1 5 1 2 6 2 7 21 5 5 71 13 5 7 19 2 2 2 2 3 1 4 12 1 2 2 1 3 2 4 14 37 22 12 1 1 1 2 2 0 2 3 4 19 77 10 6 4 3 8 32 38 3 1 2 10 5 3 3 7 2 10 16 16 6 23 4 2 6 3 2 1 2 14 1 2 3 4 3 2 15 9 12 27 31 11 2 5 15 11 6 5 3 3 1 2 4 2 2 2 2 3 3 22 16 6 6 9 100 19 31 5 3 1 1 4 3 1 9 1 1 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 1 1 1 1 1 2 6 10 4 4 3 7 5 9 6 26 16 19 48 29 7 6 5 2 3 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 ddd 1H J 13 20 79 | 73 72 m 2H | 72 72 ddq 1H J 9 20 81 | 39 39 dt 1H J 9 126 | 38 37 ddd 1H J 18 47 66 | 37 36 m 4H | 35 35 d 1H J 137 | 34 33 dd 1H J 17 138 | 30 29 dd 1H J 48 150 | 28 27 dd 1H J 66 150
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1
ir: 4 5 11 7 8 9 4 6 11 15 39 16 6 7 5 23 3 5 10 33 13 9 8 9 10 6 4 7 7 8 7 5 4 5 8 25 2 17 19 8 11 100 100 11 2 10 10 11 16 14 4 3 3 5 2 1 6 7 7 2 4 9 4 2 3 13 22 41 21 10 25 19 7 10 11 7 5 16 4 3 6 7 2 3 4 3 2 5 20 13 16 16 48 14 7 2 6 8 4 3 6 13 1 3 6 4 2 3 6 5 2 3 15 11 11 17 18 17 9 28 26 18 5 19 21 20 13 11 12 10 20 21 10 7 6 6 40 71 34 10 6 5 5 24 44 12 5 29 38 27 8 8 3 2 2 5 3 1 1 3 3 1 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 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 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 2 4 4 3 2 4 3 2 5 6 6 4 5 4 9 34 24 15 22 53 47 38 19 8 6 5 3 2 3 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 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 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 75 75 s 1H | 73 72 ddd 1H J 15 72 84 | 72 72 dtd 2H J 12 20 80 | 72 71 ddd 1H J 18 71 79 | 53 52 m 1H | 45 44 m 2H | 38 37 s 3H | 35 34 m 1H | 35 35 s 4H | 32 31 ddd 1H J 60 88 159 | 29 29 s 5H | 25 25 s 3H | 23 22 dddd 1H J 37 62 90 135 | 21 20 ddt 1H J 62 88 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
ir: 9 9 2 4 6 5 5 3 6 4 6 3 6 4 5 6 3 1 1 2 2 4 6 5 6 1 2 3 2 1 4 3 2 2 9 5 2 2 2 2 3 4 4 3 2 1 3 3 4 23 14 3 3 17 9 31 92 33 15 7 11 18 29 14 7 8 3 4 5 15 4 3 1 1 2 7 8 15 7 3 1 2 3 6 14 6 6 4 3 7 7 5 2 2 6 3 1 5 6 12 11 8 19 32 7 3 3 3 1 3 9 15 48 36 5 7 3 11 25 29 15 17 13 8 9 16 12 25 26 41 22 33 21 12 3 2 2 3 4 4 1 2 3 2 3 8 17 3 7 52 61 6 26 7 2 3 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 2 1 1 2 2 1 1 2 2 1 1 4 3 4 10 13 10 4 8 16 11 4 6 11 5 9 13 63 76 61 80 100 55 22 12 4 7 3 3 2 1 3 2 2 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 76 m 2H | 71 71 m 3H | 38 37 m 4H | 36 36 t 4H J 47 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCNc3cccc(C(=O)O)c3)c2cc1C
ir: 2 3 3 6 4 4 3 3 1 2 3 5 4 4 4 8 4 4 4 4 4 8 8 4 3 4 6 3 2 3 4 5 3 2 2 2 3 2 3 2 2 2 3 12 3 3 2 4 7 2 2 3 3 1 7 100 19 10 3 0 2 4 3 3 4 5 2 5 8 4 4 4 3 3 2 3 4 4 14 12 8 5 3 2 3 3 2 2 4 3 2 2 3 3 2 3 3 6 3 4 3 4 2 4 3 3 4 6 4 4 2 3 4 2 3 3 10 3 3 2 2 2 3 7 6 4 6 4 3 3 2 2 3 2 2 2 3 3 3 4 6 3 3 3 4 4 13 25 6 2 2 2 2 19 10 5 3 3 3 3 3 2 5 26 5 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 3 4 4 4 7 8 4 3 2 3 3 2 2 5 3 2 2 2 2 2 2 2 2 3 2 4 5 9 15 75 12 4 4 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 94 94 s 1H | 78 77 ddd 1H J 11 21 79 | 77 77 s 1H | 76 76 d 1H J 7 | 74 73 m 2H | 68 67 ddd 1H J 12 21 81 | 56 55 t 1H J 42 | 46 45 t 2H J 53 | 37 36 td 2H J 42 53 | 24 24 s 3H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(OC2CCOCC2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1
ir: 2 1 4 6 7 6 2 4 19 18 3 4 9 9 2 4 15 10 6 5 2 3 3 3 10 13 11 16 16 48 10 9 5 14 9 4 2 3 10 3 2 3 3 4 2 2 1 1 2 2 2 3 23 13 22 3 3 2 2 7 2 3 2 3 5 100 37 39 58 15 3 3 17 5 2 2 9 2 6 4 3 2 1 1 2 3 4 1 3 5 29 7 2 6 2 2 1 6 12 5 11 4 2 2 1 2 2 2 2 5 3 5 18 7 7 12 12 2 1 2 2 2 3 7 4 4 5 13 10 6 0 9 37 2 3 2 26 11 1 2 2 2 3 7 70 5 3 2 2 3 3 2 3 2 3 8 2 8 11 4 64 3 2 4 12 36 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 2 1 1 1 1 1 1 2 2 4 3 2 3 1 2 2 2 2 7 16 14 8 16 28 17 4 2 2 3 1 2 2 2 1 1 2 2 1 2 4 3 1 3 7 6 2 12 86 62 9 6 4 10 5 3 2 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 s 1H | 84 83 s 1H | 74 74 dd 1H J 22 121 | 71 70 d 1H J 92 | 68 67 dd 1H J 21 122 | 67 66 d 1H J 92 | 59 59 s 2H | 48 47 p 1H J 50 | 38 37 ddd 2H J 37 63 112 | 37 36 ddd 2H J 37 63 112 | 22 21 dddd 2H J 37 50 64 141 | 20 19 dddd 2H J 37 51 64 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)c1cn[nH]c1
ir: 2 1 1 8 11 3 1 1 1 2 1 1 1 3 2 2 1 1 2 6 17 25 17 5 2 2 3 2 2 1 1 2 2 2 2 3 4 9 19 83 100 23 8 5 3 6 14 9 6 1 2 2 1 3 5 2 2 1 2 2 1 1 1 2 1 1 1 2 4 6 3 6 4 1 2 2 12 13 2 1 1 1 1 7 4 3 3 3 4 10 20 5 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 11 16 13 21 9 3 1 2 3 3 6 5 8 16 12 4 3 19 9 2 2 2 2 1 1 1 1 1 1 2 2 2 11 31 63 43 21 4 2 6 64 98 0 3 2 3 5 2 8 34 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 3 3 4 3 3 2 1 6 15 12 8 8 3 2 1 2 4 3 2 1 2 3 2 1 3 4 6 7 36 53 14 22 24 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 16 | 80 80 dd 1H J 17 34 | 78 77 t 1H J 42 | 35 34 qd 2H J 42 62 | 13 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1nc(-c2ccc(O)c(F)c2)c2cccc(-c3ccccc3)c21
ir: 4 2 6 2 1 4 1 1 1 1 2 1 3 3 3 3 0 1 1 2 3 2 2 11 1 7 2 2 3 3 7 1 5 10 15 4 3 2 3 1 18 33 24 2 1 2 4 6 11 1 1 1 1 0 12 9 5 1 1 1 1 1 7 1 1 7 1 4 16 4 16 1 2 1 3 2 3 2 6 15 8 10 30 3 2 1 3 1 1 2 1 8 7 9 3 1 5 1 0 1 2 6 6 1 2 1 0 1 3 2 3 3 2 1 1 2 2 1 3 6 2 3 3 3 1 1 5 4 2 27 3 2 1 3 15 3 2 2 2 6 3 100 3 12 2 0 1 2 1 12 8 5 2 1 1 2 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 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 2 2 4 9 9 56 91 56 12 7 3 1 1 2 47 3 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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: 81 81 dd 1H J 7 77 | 76 76 dd 1H J 7 70 | 76 75 m 2H | 75 74 m 2H | 74 73 m 4H | 70 69 dd 1H J 47 102 | 60 60 d 1H J 35 | 43 42 t 2H J 41 | 19 18 qt 2H J 42 76 | 9 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)c2c(C)nsc2N)cn1
ir: 7 6 3 5 9 12 11 6 3 5 3 6 5 4 4 5 10 7 12 11 27 16 25 28 8 16 7 6 9 5 5 4 4 5 6 33 4 3 4 3 3 3 3 4 5 4 5 9 12 11 53 25 14 76 11 11 7 8 4 4 4 4 4 4 3 4 6 5 3 1 22 4 3 6 4 3 4 4 3 5 7 20 16 7 3 3 3 3 5 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 9 8 8 6 1 6 12 11 5 3 2 4 4 3 3 3 4 3 3 3 6 9 3 3 3 3 3 4 5 3 3 5 9 90 10 5 3 7 5 2 2 3 3 3 3 5 4 7 20 45 15 7 13 23 25 13 7 5 5 4 4 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 2 4 5 5 4 6 7 8 4 5 12 18 3 4 5 4 2 3 4 3 2 4 5 2 1 5 7 0 50 100 0 6 6 3 4 8 12 20 6 6 16 66 18 6 5 4 3 4 3 2 3 4 3 3 3 4 4 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 85 85 d 1H J 20 | 80 80 dd 1H J 20 84 | 68 68 d 1H J 84 | 58 58 s 2H | 39 39 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2cc(C(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)c(=O)[nH]c2cc1OC
ir: 1 5 6 8 1 9 11 4 2 3 4 2 2 7 4 3 1 3 6 3 4 19 24 40 14 6 4 1 5 6 8 1 5 6 17 10 4 53 14 5 6 11 4 1 2 6 4 7 13 25 100 29 7 5 7 19 4 18 5 9 4 8 3 2 7 9 5 63 8 48 4 10 5 12 13 3 3 3 2 1 2 3 2 2 3 3 1 2 3 6 1 3 6 5 9 4 5 5 7 6 21 7 12 10 5 2 0 2 4 2 0 2 4 2 1 4 7 9 1 7 3 4 10 30 25 15 4 10 7 5 4 5 13 7 1 17 5 9 3 4 2 3 3 10 7 6 20 70 30 19 8 11 72 29 18 73 34 5 85 4 6 1 2 7 2 2 10 10 2 0 2 3 1 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 3 4 6 10 12 51 27 36 11 4 3 4 3 1 3 3 1 2 3 3 4 2 3 4 2 2 2 5 53 71 27 10 20 9 5 6 2 3 3 4 1 2 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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: 85 85 s 1H | 82 82 d 1H J 17 | 76 76 m 2H | 71 71 s 1H | 70 70 s 1H | 39 39 s 3H | 39 39 s 3H | 30 30 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(Cl)c1F
ir: 6 1 1 2 0 1 1 0 1 1 5 16 35 3 2 1 0 1 1 2 2 1 1 2 3 2 2 2 0 1 1 0 0 1 12 4 5 3 4 17 16 3 2 1 2 2 1 3 5 6 2 1 1 2 2 10 6 2 0 1 1 1 0 0 0 1 2 10 1 1 1 1 1 0 0 1 1 0 0 0 0 1 1 1 1 1 3 0 1 1 1 1 5 3 0 3 1 0 0 0 6 1 4 1 1 1 9 3 0 2 2 1 1 1 0 0 3 1 1 2 3 0 0 2 2 5 1 1 1 1 0 1 10 1 1 5 32 3 2 9 1 3 3 1 0 3 0 0 1 0 1 1 1 0 1 3 1 0 6 4 2 100 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 2 7 5 42 12 6 2 2 2 2 1 0 1 0 0 1 1 1 1 1 0 2 1 1 1 5 4 17 38 5 1 1 2 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; 1HNMR: 82 82 d 1H J 41 | 79 79 d 1H J 81 | 77 77 m 1H | 75 75 d 1H J 22 | 75 74 m 2H | 73 73 dd 1H J 21 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(-n4cnc5cccnc54)cc3)CC2)cc1
ir: 15 14 7 3 1 3 5 7 8 5 4 3 2 4 3 4 5 81 15 2 1 2 1 2 5 5 7 7 5 10 10 3 8 13 10 10 31 37 35 18 7 10 6 3 3 4 11 3 2 2 3 0 5 13 34 14 13 2 6 3 2 2 10 16 8 1 3 3 3 14 4 1 2 3 1 0 1 2 1 1 1 3 1 2 5 2 7 7 9 6 5 3 2 2 1 2 10 6 14 8 18 7 8 5 6 6 2 4 4 4 1 28 75 8 30 14 2 8 7 9 10 9 9 13 9 17 6 8 5 1 2 6 27 18 7 16 11 15 22 5 9 13 23 11 19 18 10 6 15 30 23 13 9 6 12 100 9 5 2 4 1 1 2 1 3 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 3 4 7 3 4 3 3 3 2 4 17 17 19 71 90 100 15 8 5 4 3 2 4 1 3 1 1 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 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; 1HNMR: 87 86 dd 1H J 22 38 | 84 83 s 1H | 80 79 dd 1H J 22 66 | 79 78 m 4H | 78 78 m 2H | 74 74 dd 1H J 38 68 | 73 72 m 2H | 39 38 ddd 2H J 57 84 123 | 35 34 ddd 2H J 57 84 123 | 32 32 p 1H J 59 | 23 23 d 3H J 9 | 22 21 ddt 2H J 58 86 128 | 20 19 ddt 2H J 58 84 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCC1CCC(CCC2OCCCO2)CC1
ir: 5 3 2 5 6 9 1 6 7 12 3 3 3 1 1 2 4 10 8 1 1 1 1 1 1 1 1 2 9 4 4 2 1 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 4 4 4 8 7 6 2 3 2 1 2 5 4 3 5 3 2 1 5 4 9 3 5 4 4 2 4 5 7 9 25 40 27 7 27 7 9 5 6 13 9 88 100 61 17 13 4 4 4 4 10 8 6 7 7 4 12 8 9 4 7 8 13 9 4 5 4 5 6 4 4 3 6 7 5 4 5 3 10 3 3 2 2 1 2 2 1 1 2 2 2 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 2 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 1 2 4 6 4 5 12 4 14 7 9 7 7 6 24 14 16 8 5 6 3 4 3 5 15 22 52 13 19 6 6 2 2 2 3 2 2 3 2 2 1 1 2 3 2 3 2 1 2 2 2 2 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 47 46 t 1H J 40 | 39 38 ddd 2H J 41 68 110 | 37 37 ddd 2H J 40 68 110 | 36 36 q 2H J 58 | 23 22 t 1H J 60 | 20 19 dtt 1H J 41 68 137 | 17 17 m 0H | 17 17 s 1H | 17 16 m 2H | 16 15 m 1H | 15 14 m 6H | 15 14 m 3H | 13 12 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ICc1ccc(I)nc1
ir: 4 3 5 15 6 3 1 2 16 3 2 2 2 2 1 2 3 2 1 3 4 2 2 3 2 4 3 5 3 10 5 7 13 21 99 19 36 9 3 5 5 2 2 3 3 10 13 5 3 2 11 20 100 62 39 12 4 1 2 4 2 1 2 4 2 1 2 7 5 59 4 5 2 1 2 3 2 2 3 4 2 1 3 4 2 2 4 28 7 19 12 4 3 2 3 2 1 2 3 3 3 6 15 6 30 4 5 4 0 3 4 2 1 2 3 2 1 3 3 3 4 9 14 8 7 6 4 3 4 24 27 50 4 6 5 1 0 3 3 2 1 3 3 1 2 2 6 29 6 7 5 13 8 4 5 3 4 4 6 40 6 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 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 3 11 3 1 2 4 2 2 4 9 25 3 13 27 38 13 5 6 4 4 4 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 82 81 dt 1H J 9 18 | 73 73 ddt 1H J 8 17 71 | 73 72 d 1H J 71 | 46 45 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ncc2n1CCN(Cc1ccccc1)C2
ir: 1 8 17 7 5 6 9 9 8 10 12 3 1 7 12 6 9 13 8 3 2 6 8 4 4 8 8 3 3 14 23 16 12 19 10 13 5 28 34 49 13 15 15 25 24 13 7 4 5 9 6 16 10 12 6 0 5 9 11 4 10 14 5 3 11 17 17 13 14 10 4 1 7 9 4 3 7 20 15 17 21 13 5 3 7 9 5 4 8 22 11 9 13 8 3 10 23 38 14 31 17 8 3 5 17 39 19 12 10 7 1 4 10 9 6 12 25 12 2 12 24 12 23 16 25 7 4 9 12 5 1 7 9 4 26 36 16 5 3 9 8 2 37 57 31 7 7 12 7 3 4 10 10 2 3 8 5 1 3 8 5 1 3 8 5 1 5 10 4 0 4 8 4 0 4 8 4 0 4 7 3 1 5 7 3 1 5 7 3 2 6 7 3 1 5 6 2 2 6 6 2 2 6 5 2 3 7 6 2 3 7 5 1 3 7 5 1 3 7 5 1 3 7 4 0 4 7 4 0 4 7 4 0 4 7 4 1 5 7 4 1 5 7 3 1 5 6 3 2 5 6 3 2 6 6 3 2 6 6 2 2 6 5 3 3 7 5 2 5 7 7 4 5 20 12 5 23 9 11 7 11 9 9 13 23 35 31 39 100 88 13 4 7 13 6 2 7 7 3 1 5 7 3 1 5 6 3 2 5 6 2 2 6 6 2 2 6 5 2 2 6 5 2 3 6 5 2 3 6 5 1 3 6 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 3 6 4 1 4 6 4 1 4 7; 1HNMR: 97 96 s 1H | 74 72 m 6H | 72 72 t 1H J 9 | 42 41 m 2H | 38 38 d 2H J 7 | 37 36 t 2H J 9 | 30 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CC(CC(=O)O)c1ccc(OCC(C)COc2ccc(Br)c(Cl)c2)cc1
ir: 1 1 4 5 4 3 4 12 18 9 7 15 9 12 8 17 5 11 10 30 43 77 32 20 5 5 4 3 1 4 4 1 1 6 3 3 1 2 2 1 2 1 1 3 2 2 3 6 3 6 4 6 15 50 37 63 33 14 5 2 2 2 11 3 2 6 19 10 18 10 10 6 2 0 13 14 9 4 50 45 24 9 7 5 5 7 4 2 6 7 8 6 4 6 3 6 6 6 3 3 2 4 0 3 3 5 2 4 9 8 8 6 2 1 2 2 5 4 4 3 8 5 1 3 4 3 1 2 3 1 5 9 6 8 8 4 10 9 3 2 4 3 13 22 15 11 9 12 26 5 6 12 10 22 2 2 1 1 1 0 13 0 6 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 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 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 1 3 2 3 2 4 4 8 4 4 5 18 15 35 41 100 44 5 4 8 2 1 2 5 28 28 7 0 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 75 d 1H J 88 | 74 73 m 2H | 69 69 d 1H J 22 | 69 68 m 2H | 68 67 dd 1H J 22 88 | 42 41 m 3H | 40 39 dt 2H J 60 118 | 30 29 dd 1H J 86 159 | 28 27 dd 1H J 87 160 | 23 22 ddtd 1H J 21 58 79 136 | 18 18 d 3H J 20 | 11 10 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc(I)cn1
ir: 2 6 1 3 4 8 9 2 0 1 3 2 4 10 8 6 2 6 5 3 2 2 3 3 2 3 4 1 1 2 2 2 2 5 22 31 12 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 5 7 6 2 2 2 1 0 1 2 1 1 2 2 1 0 2 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 0 1 5 5 1 1 2 2 3 7 5 2 0 1 1 1 0 1 1 1 0 1 2 1 0 3 4 1 0 1 2 2 2 1 2 3 6 6 3 2 0 1 2 2 1 2 2 1 1 1 1 1 0 2 2 1 3 20 51 100 1 6 13 14 5 3 2 0 1 2 2 0 17 36 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 3 6 15 8 3 1 1 2 2 1 0 1 1 1 1 3 4 1 1 2 2 2 2 2 6 22 27 14 17 15 11 5 5 4 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 83 83 d 1H J 19 | 79 78 dd 1H J 18 71 | 67 67 d 1H J 71 | 56 56 q 1H J 48 | 29 29 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ncc(-c2nc(-c3cccc4c(CCC(=O)O)cn(C)c34)no2)cc1Cl
ir: 0 1 1 3 2 6 1 7 9 4 2 2 3 3 2 4 4 5 4 6 14 40 11 9 4 5 3 2 2 1 1 0 0 4 5 7 17 4 15 9 10 4 5 4 3 1 2 8 7 2 3 1 1 1 2 2 3 1 2 2 4 1 1 1 3 4 4 6 4 3 2 2 1 3 3 3 2 5 18 20 6 4 2 3 9 14 9 11 1 1 1 1 8 2 3 2 7 5 2 1 9 2 3 3 1 3 1 3 2 3 5 2 2 3 0 2 7 10 28 7 3 11 4 3 2 10 20 18 5 4 3 6 36 5 2 1 1 1 1 1 2 5 14 39 33 15 1 2 2 0 1 1 1 5 12 5 1 0 1 4 3 2 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 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 1 0 0 0 1 3 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 3 3 3 17 2 6 16 26 6 35 3 2 5 5 0 100 81 7 6 2 0 1 1 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 86 86 d 1H J 16 | 81 81 d 1H J 18 | 80 80 dd 1H J 7 88 | 78 77 m 1H | 76 75 dd 1H J 71 87 | 70 69 s 1H | 51 50 hept 1H J 61 | 38 37 s 3H | 31 31 td 2H J 9 84 | 27 26 t 2H J 84 | 16 15 d 6H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(Sc2nc(N)nc3c2ccn3Cc2ccccc2)c(C)c1
ir: 8 5 2 6 3 7 2 3 1 1 1 1 0 2 6 5 4 4 8 5 6 7 7 7 6 3 4 7 3 7 14 44 11 20 24 9 6 4 6 27 30 63 23 6 8 4 6 5 4 3 2 4 2 2 1 6 2 2 1 1 2 3 4 2 1 2 3 0 5 2 3 4 3 3 2 3 2 2 2 5 2 1 1 0 1 1 1 1 3 3 1 2 2 2 4 7 4 2 3 4 1 1 3 3 2 1 3 1 0 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 1 1 2 2 2 2 5 7 3 5 11 3 2 6 16 6 3 6 7 15 14 100 66 12 7 23 43 28 13 5 3 4 13 6 2 2 8 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 1 1 0 1 0 0 0 0 1 1 2 1 1 1 1 1 1 2 1 1 1 2 6 12 3 10 48 12 11 13 9 5 4 3 2 3 1 2 2 2 2 2 3 3 38 26 4 5 2 3 2 1 1 2 2 1 7 74 5 3 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3H | 72 71 dtd 2H J 9 16 58 | 71 71 dt 1H J 9 67 | 69 68 s 2H | 63 63 s 2H | 61 60 d 1H J 66 | 55 55 q 2H J 8 | 23 23 s 6H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC=NC1(Cl)C=CC=CC1C
ir: 2 4 1 6 9 20 37 12 13 10 3 7 8 3 3 3 4 3 3 4 4 2 1 2 2 1 1 3 4 4 11 7 8 8 8 5 8 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 4 0 1 2 1 0 1 2 2 1 3 3 4 3 2 3 5 2 2 2 2 1 4 3 1 1 1 2 1 1 1 1 1 1 1 1 2 2 4 4 2 1 7 7 4 1 3 2 1 1 3 3 3 1 2 4 8 8 2 3 11 5 9 1 1 2 2 2 3 6 17 27 7 2 2 2 1 3 4 18 11 10 16 8 7 5 4 8 9 5 3 2 1 2 2 1 1 1 1 0 1 4 4 1 2 2 3 9 75 6 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 2 3 6 19 19 8 5 1 2 2 1 2 1 2 1 1 2 3 2 1 2 4 2 2 3 4 9 7 7 7 20 100 76 25 12 3 2 2 1 1 1 1 1 1 2 2 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 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 1 1 1 0; 1HNMR: 77 76 dq 1H J 11 57 | 63 62 m 1H | 61 60 m 2H | 60 59 dq 1H J 41 57 | 59 59 m 1H | 30 30 dd 3H J 10 42 | 27 26 m 1H | 11 11 dd 3H J 7 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)nc2c(Br)cccc2c1Cl
ir: 7 3 0 3 6 3 0 4 13 8 5 4 5 2 1 4 6 2 1 4 5 2 6 12 4 2 3 5 5 14 12 5 4 2 2 4 4 3 3 4 4 2 3 2 30 64 94 16 5 0 3 10 13 5 11 6 3 0 3 6 3 0 4 6 3 1 4 7 3 2 4 7 3 2 6 7 9 10 7 5 2 3 6 5 2 2 4 4 2 2 5 4 2 4 18 8 2 21 11 5 1 3 6 4 1 3 6 9 1 3 7 4 1 15 20 4 1 4 6 5 4 7 8 5 3 6 13 8 10 31 15 8 2 5 8 5 6 9 8 3 2 18 18 10 55 28 100 35 7 8 7 12 11 5 4 2 4 24 12 1 3 5 5 5 3 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 3 4 6 4 2 3 6 5 2 4 6 7 2 5 6 12 13 43 69 47 20 9 7 3 2 5 5 3 2 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1; 1HNMR: 79 79 dd 1H J 11 86 | 78 78 dd 1H J 12 89 | 74 74 m 1H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
ir: 2 3 3 11 13 9 7 4 7 3 3 4 3 5 6 2 3 3 2 3 2 2 3 3 4 3 5 3 3 3 3 4 6 5 2 5 3 4 4 2 27 12 14 22 6 7 7 4 5 3 3 4 3 12 15 32 6 8 4 4 2 2 1 0 4 2 5 5 18 26 17 6 2 3 3 5 1 1 1 3 0 1 2 4 2 2 2 8 41 5 2 4 5 3 2 4 4 2 2 8 21 28 45 17 6 5 3 9 2 1 1 1 1 2 1 1 3 5 26 9 4 7 5 5 2 3 3 2 3 6 14 13 3 5 5 100 12 1 1 2 2 5 11 5 6 16 4 9 14 31 7 10 11 14 86 10 4 20 3 2 2 2 19 65 11 1 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 2 2 6 10 9 18 36 78 55 11 5 4 2 0 2 3 1 0 1 2 1 1 1 3 1 1 2 3 3 5 12 11 42 43 46 10 10 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 96 95 s 1H | 86 86 dd 1H J 16 41 | 80 80 d 1H J 21 | 79 78 d 1H J 85 | 78 76 m 3H | 75 75 d 2H J 84 | 74 73 d 1H J 22 | 72 71 m 2H | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)c1cccnc1N1CCN(Cc2ccc(CN)cc2)CC1
ir: 20 8 11 16 10 5 7 19 15 15 1 19 68 21 9 18 27 5 11 7 1 3 3 0 2 1 2 1 3 5 16 3 3 9 4 8 28 74 18 59 11 6 5 6 5 6 6 4 7 11 5 6 10 6 18 56 19 6 7 10 13 37 67 7 16 4 11 6 22 45 54 73 23 8 11 11 9 20 27 61 28 37 27 42 34 46 39 18 5 10 5 8 6 10 16 17 10 12 13 32 17 20 5 7 7 4 2 3 3 3 4 3 7 5 6 6 6 24 11 22 19 30 28 58 30 15 52 32 16 14 19 42 82 79 25 12 21 47 76 25 26 10 17 4 7 5 8 21 45 13 37 8 9 6 22 64 21 81 6 5 2 1 2 2 1 1 1 1 0 1 0 0 0 1 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 0 1 1 1 0 1 1 1 2 3 2 2 3 8 6 4 4 2 3 4 4 7 15 55 20 100 84 49 14 6 11 3 1 3 3 6 8 7 7 15 17 24 30 41 11 13 8 10 24 32 4 4 3 1 1 1 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 1H J 21 47 | 79 79 dd 1H J 21 81 | 72 72 m 4H | 70 70 dd 1H J 48 82 | 50 49 hept 1H J 58 | 42 42 t 2H J 8 | 41 40 tt 2H J 8 63 | 38 38 t 4H J 53 | 31 30 dt 2H J 54 113 | 29 28 dt 2H J 53 113 | 15 14 t 2H J 63 | 14 13 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1coc(CO)cc1=O
ir: 3 4 6 4 3 2 5 3 3 2 3 2 2 1 1 2 1 3 4 5 1 4 4 4 2 1 1 1 1 2 1 0 1 1 3 1 3 2 4 3 10 22 6 4 3 2 1 1 1 2 3 1 5 3 3 17 16 13 3 3 4 2 4 0 5 6 100 63 11 3 2 2 2 0 2 2 3 3 2 6 12 4 3 10 27 43 73 97 55 19 18 18 8 17 2 3 1 1 1 2 2 1 1 1 1 1 1 2 3 2 5 20 19 2 1 3 3 4 3 5 5 3 3 6 8 3 2 3 3 6 6 4 2 1 1 1 0 1 1 1 3 12 62 19 2 0 1 2 2 2 21 10 1 1 2 1 1 1 1 1 4 35 29 2 1 0 0 1 0 0 0 1 0 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 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 1 3 2 1 3 3 5 6 2 2 2 2 3 5 6 2 13 13 12 3 9 26 43 15 6 9 4 23 22 8 4 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 0 1 0 0 0 0 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 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 72 s 1H | 63 62 t 1H J 13 | 43 43 dd 2H J 13 60 | 41 41 t 2H J 54 | 33 32 t 1H J 59 | 18 17 qt 2H J 54 79 | 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.
CCCSc1c(C(=O)NC2C3CC4CC2CC(S(C)(=O)=O)(C4)C3)cnn1-c1ccc(C(=O)O)cc1
ir: 7 6 4 3 12 6 2 9 14 2 2 7 4 11 5 7 7 5 5 7 4 59 59 12 7 4 13 11 11 8 5 2 2 3 2 1 2 12 7 2 3 3 3 1 10 44 29 6 2 5 8 4 2 2 3 2 32 4 8 5 4 0 1 3 2 1 3 7 6 4 5 4 3 1 10 8 3 3 26 15 5 10 2 2 16 12 10 13 65 5 2 10 2 2 1 1 3 4 3 3 8 6 9 5 27 18 9 6 12 7 7 3 3 8 6 30 6 4 7 5 11 11 6 4 6 20 5 4 6 16 5 2 3 2 5 2 13 7 2 3 2 3 10 22 11 10 100 15 5 7 13 25 12 7 4 6 6 47 3 5 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 1 3 4 3 4 4 2 3 4 7 4 30 27 9 13 16 12 10 5 1 2 2 2 1 10 11 2 2 1 1 1 1 2 3 4 3 3 2 4 5 8 20 5 4 4 3 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H | 81 80 m 2H | 78 78 m 2H | 73 72 d 1H J 60 | 36 35 m 1H | 31 31 t 2H J 49 | 30 29 s 2H | 22 20 m 3H | 20 20 m 4H | 19 18 m 4H | 18 17 qt 2H J 48 69 | 17 16 ddd 2H J 51 59 137 | 11 10 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1c(F)cccc1F)NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1
ir: 5 2 7 4 3 1 2 3 1 2 1 2 2 3 3 1 1 2 13 5 3 2 2 3 5 11 4 5 2 6 3 2 5 4 8 3 13 3 4 8 4 3 6 5 5 4 4 63 6 7 16 7 6 5 7 17 3 5 2 1 3 2 1 1 2 6 14 13 34 6 4 2 3 4 7 2 8 12 1 1 8 6 15 5 6 2 0 1 1 1 5 2 10 3 4 3 2 2 10 11 33 6 1 3 6 2 1 1 1 1 1 1 2 3 2 2 3 2 4 4 5 5 2 8 9 5 4 12 2 8 3 2 3 1 3 2 5 5 22 11 8 4 5 9 15 22 54 48 25 2 4 2 5 1 2 2 31 1 1 2 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 1 1 1 2 3 2 7 3 3 2 2 2 2 4 12 7 7 22 100 15 6 3 2 2 3 2 0 1 1 0 0 1 1 2 2 2 2 2 2 6 4 10 24 51 5 3 2 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 3H | 72 72 m 2H | 70 69 m 2H | 42 42 p 1H J 36 | 38 38 ddd 1H J 33 60 104 | 37 36 m 5H | 36 35 ddd 1H J 38 62 132 | 33 32 ddd 1H J 38 62 132 | 31 30 dd 1H J 33 126 | 28 27 m 2H | 26 25 ddd 1H J 33 59 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNc2n[nH]c3ncnc(Nc4cccc(Cl)c4)c23)c(OC)c1OC
ir: 2 1 2 1 3 2 4 6 3 2 6 2 0 2 3 7 1 1 1 4 2 7 5 1 4 3 4 3 4 3 1 3 3 3 2 2 2 4 2 6 6 15 2 9 8 3 3 10 14 1 2 1 1 3 5 3 1 2 1 1 1 1 1 2 1 1 4 1 2 3 1 1 3 2 0 1 1 1 1 1 1 2 1 0 0 0 1 3 1 2 0 0 1 1 1 3 9 4 15 7 5 2 2 2 5 3 1 4 1 1 2 3 4 13 1 2 1 3 1 1 1 1 0 1 1 1 1 2 1 0 0 2 1 0 0 2 2 24 7 4 11 1 2 4 1 3 4 6 11 3 10 1 4 4 1 3 2 36 33 1 1 6 11 100 3 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 1 1 3 1 7 26 7 5 1 1 1 1 0 1 1 2 1 0 1 1 1 0 1 1 3 0 6 11 6 10 34 29 13 8 6 2 1 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H | 84 83 s 1H | 78 78 t 1H J 54 | 76 76 t 1H J 22 | 73 72 t 1H J 78 | 72 71 ddd 1H J 13 22 77 | 71 71 ddd 1H J 12 21 79 | 70 69 dt 1H J 8 86 | 66 66 d 1H J 86 | 50 49 dd 2H J 9 54 | 39 38 d 10H J 12
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C=O)c2nnn(C)c12
ir: 20 29 19 33 16 12 33 21 66 19 14 8 3 6 11 12 7 13 15 7 6 14 60 62 14 9 8 2 5 11 7 5 4 8 7 4 6 13 27 12 11 8 4 1 3 6 4 2 3 8 4 0 17 52 100 27 10 7 8 8 6 7 4 10 6 7 4 3 17 5 7 6 14 9 6 6 7 6 3 3 11 10 2 2 5 5 3 12 9 6 2 3 5 5 3 3 9 17 20 5 6 6 3 6 6 26 40 34 15 6 2 3 5 5 3 5 9 19 19 63 79 17 2 10 11 41 0 7 9 2 1 8 12 5 2 6 8 3 23 18 8 9 17 59 93 26 14 10 8 11 11 6 6 6 94 75 5 1 5 5 4 4 9 14 5 2 3 5 3 1 3 6 3 1 4 6 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 5 5 2 2 4 5 2 3 4 4 3 5 7 10 3 3 5 4 2 3 7 5 4 6 11 18 33 31 25 30 57 88 9 6 1 4 6 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 3 5 3 2 3 5 3 2 3 5; 1HNMR: 81 81 d 1H J 88 | 81 80 d 1H J 88 | 42 42 s 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc(NCCN2CCOCC2)c2cc3ccccn3c12
ir: 16 6 7 6 12 6 3 2 2 2 12 4 3 11 6 2 5 4 12 39 27 15 11 3 2 2 2 5 22 8 6 3 3 4 3 6 3 5 9 9 3 6 54 16 5 8 11 26 31 13 3 2 1 0 2 8 6 4 1 1 3 9 5 2 3 10 10 19 10 3 2 9 5 7 2 1 1 0 1 0 7 3 4 5 11 2 3 2 1 1 2 2 1 2 5 1 3 14 8 8 11 5 4 4 6 68 1 1 1 2 1 1 2 4 4 2 4 9 5 4 13 15 5 4 6 3 1 2 3 10 3 7 4 17 46 17 6 3 15 13 31 10 5 3 8 6 37 27 65 13 7 1 1 2 1 10 7 1 1 6 1 2 1 4 1 1 1 0 0 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 3 3 2 7 1 2 1 2 2 6 14 5 5 6 19 71 30 8 9 6 2 3 1 1 2 2 4 2 3 4 4 3 4 3 5 9 15 42 100 57 12 10 4 3 3 2 2 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 88 88 m 1H | 75 74 m 1H | 72 72 s 1H | 71 70 t 1H J 48 | 69 68 m 2H | 37 37 m 4H | 37 36 td 2H J 48 61 | 28 28 t 2H J 61 | 26 25 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1N(C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O
ir: 7 4 2 2 5 4 3 2 6 5 5 5 5 3 2 5 2 1 1 1 1 1 1 2 3 2 7 8 10 3 2 17 13 5 1 1 1 1 3 4 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 3 4 5 3 1 1 4 3 4 2 1 1 1 0 0 1 2 3 2 3 3 3 2 23 27 4 2 2 16 22 13 4 1 2 4 4 3 1 1 1 1 1 2 2 2 4 3 2 3 2 2 3 3 1 1 4 6 1 1 2 1 3 3 3 7 3 10 18 6 0 5 5 9 7 11 6 3 2 19 8 1 1 1 1 0 0 1 1 1 0 2 100 12 1 1 1 0 1 20 12 10 2 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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 1 1 0 0 1 1 0 1 1 2 2 3 3 2 2 2 2 2 2 1 3 3 2 4 10 20 11 1 2 2 1 1 2 3 4 13 28 8 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 40 40 qd 1H J 18 76 | 40 40 s 1H | 24 24 d 1H J 163 | 23 22 dd 1H J 18 163 | 15 15 s 8H | 13 13 s 3H | 13 13 d 4H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)cc(C(C)C(C)CCc2ccc(F)cc2)c1
ir: 0 0 0 1 0 1 1 2 4 1 1 1 2 1 11 8 2 2 0 1 1 1 1 1 1 1 1 0 0 1 1 4 1 3 1 4 1 1 1 0 1 0 1 1 1 0 1 1 1 5 2 7 7 16 37 7 12 5 2 2 1 1 1 5 6 15 18 27 19 10 4 4 9 3 4 3 1 2 2 1 0 0 1 2 1 0 7 0 1 1 1 1 0 1 15 3 7 7 3 2 2 3 9 8 2 1 1 1 2 5 1 2 1 1 0 2 2 3 3 3 2 3 4 1 5 10 4 2 1 2 10 5 1 0 1 1 2 2 1 1 2 1 0 1 1 1 4 98 24 9 2 3 35 1 3 1 1 0 1 6 24 27 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 2 2 1 1 1 1 1 3 4 4 12 24 22 64 100 22 11 5 9 4 3 5 2 2 1 5 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; 1HNMR: 72 71 ddt 2H J 9 35 81 | 71 70 m 2H | 65 64 m 3H | 38 38 s 5H | 28 27 m 2H | 26 25 dtt 1H J 9 82 135 | 19 18 m 1H | 17 16 dtd 1H J 70 82 135 | 15 14 dtd 1H J 70 82 134 | 12 12 dd 3H J 15 71 | 9 8 dd 3H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CO)(CO)c1cc(N)no1
ir: 29 18 17 11 9 5 4 6 2 7 5 3 9 14 42 9 7 6 8 5 2 2 3 4 2 2 2 2 2 2 1 1 1 0 0 2 2 1 1 2 1 1 2 1 2 1 1 1 1 1 2 3 2 2 1 1 1 1 1 2 1 1 1 1 1 1 3 1 3 3 6 13 6 2 1 4 3 3 11 7 2 3 3 6 15 4 9 16 20 27 47 27 11 4 2 2 3 2 2 2 2 1 0 1 1 0 0 1 1 1 1 1 1 1 0 0 0 0 1 1 3 1 0 1 0 2 2 2 2 2 1 1 0 1 0 0 1 3 4 10 7 1 0 1 1 0 0 1 1 2 5 9 16 7 1 2 15 71 100 12 4 4 2 1 1 1 0 1 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 1 0 2 1 0 1 1 1 2 3 4 6 3 2 6 5 5 5 2 2 8 17 50 3 1 1 1 0 0 0 2 1 43 10 4 1 1 1 0 1 1 2 8 16 31 46 11 5 1 2 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 56 56 s 1H | 45 44 s 2H | 43 42 dd 2H J 58 122 | 40 40 dd 2H J 58 122 | 40 39 t 2H J 58 | 16 15 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCCCC/C=C\CCCCCCBr
ir: 1 1 1 1 2 2 8 8 11 4 9 4 4 17 9 4 4 10 17 83 61 82 21 18 17 8 3 4 3 1 1 2 1 1 2 3 9 4 13 6 4 1 2 2 3 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 0 1 1 1 1 0 1 0 1 1 3 2 3 47 15 38 24 15 7 5 6 4 4 3 3 2 1 1 1 1 1 2 1 1 3 2 2 2 3 2 1 3 5 9 4 7 4 3 1 1 2 2 3 4 6 6 8 6 10 4 4 4 4 2 3 5 4 4 3 2 2 2 2 1 2 1 2 2 5 10 13 3 4 3 1 1 1 0 0 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 2 6 6 3 3 1 1 2 1 4 22 24 17 12 4 1 1 1 1 1 1 2 5 16 100 35 8 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 54 53 m 2H | 34 34 t 2H J 47 | 23 23 t 2H J 89 | 21 20 tq 4H J 35 71 | 19 18 tt 2H J 46 75 | 17 16 tt 2H J 76 89 | 15 14 m 2H | 14 12 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@@](C)(C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)cc1
ir: 6 8 8 8 7 5 6 9 6 8 6 6 6 6 6 6 7 7 6 6 7 8 8 10 6 10 9 6 6 7 14 12 8 7 8 11 15 11 24 39 47 21 23 8 12 7 6 6 6 6 6 5 6 5 6 5 8 13 10 6 5 5 5 6 6 7 8 8 8 10 8 7 6 6 6 5 6 6 7 6 6 7 17 5 6 5 5 6 5 5 7 5 5 5 8 11 23 40 8 6 6 6 5 5 6 5 5 5 6 5 5 8 6 5 5 6 6 6 6 11 7 7 7 5 7 13 6 7 100 10 6 6 9 6 6 10 5 5 6 6 6 7 9 6 20 13 34 47 29 51 15 11 10 9 6 6 6 5 5 6 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 6 5 5 6 6 6 5 6 7 6 6 6 6 5 6 6 6 5 6 8 6 8 11 14 17 84 12 8 8 5 8 12 5 46 26 0 14 9 6 4 6 8 6 5 9 9 9 8 22 25 73 24 8 9 6 7 7 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 94 94 d 1H J 33 | 84 83 d 1H J 33 | 79 78 m 2H | 77 77 m 2H | 76 76 m 2H | 75 74 m 2H | 74 73 ddt 1H J 14 64 80 | 64 64 q 1H J 49 | 31 31 s 2H | 28 28 d 3H J 49 | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(-c2c(S(C)(=O)=O)ccc(C(=O)OC3=CC(=O)CCC3)c2Cl)no1
ir: 1 12 8 19 4 4 8 4 4 10 5 8 3 3 3 3 4 4 3 1 1 2 1 1 1 8 3 5 2 4 2 1 1 1 2 4 6 4 1 1 5 5 5 2 1 2 2 1 1 2 3 2 2 3 17 6 5 5 6 2 3 2 1 0 3 6 6 29 16 12 22 12 6 1 4 17 8 9 6 6 7 3 4 18 4 100 6 1 1 1 2 3 1 2 2 2 2 1 1 5 4 3 3 17 10 17 14 5 2 2 14 12 17 5 3 3 4 6 9 20 7 19 7 6 6 2 5 8 4 2 2 5 2 5 19 2 3 5 7 10 7 6 12 21 29 6 4 2 2 4 2 2 3 2 1 1 5 8 7 4 36 6 1 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 2 2 3 6 5 3 2 1 2 4 6 10 24 20 44 28 22 23 5 7 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 d 1H J 92 | 81 80 d 1H J 92 | 67 67 d 1H J 9 | 59 59 p 1H J 9 | 47 47 d 2H J 9 | 34 34 s 3H | 33 32 s 3H | 29 28 m 2H | 25 24 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(CCC2CCCN2C(=O)c2ccc(-c3ccc(=O)[nH]c3)cc2)c1
ir: 6 3 6 6 3 4 8 13 4 2 3 2 1 3 2 3 11 3 3 3 2 2 3 2 3 1 2 2 4 3 8 6 7 8 12 11 6 10 7 21 33 5 16 31 100 19 16 4 18 10 3 3 5 6 31 49 68 13 7 0 3 5 2 3 3 3 4 8 4 12 2 1 2 4 1 1 2 2 2 2 3 3 10 4 6 4 3 3 6 3 1 2 3 2 1 2 2 3 4 13 4 3 1 2 7 4 3 3 9 10 4 3 7 16 3 13 12 5 7 6 4 8 8 7 7 4 13 11 5 2 3 53 7 5 5 6 1 2 2 7 13 5 6 16 44 81 20 51 8 13 8 25 8 8 35 5 4 1 2 3 2 0 7 3 2 17 11 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 25 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 4 4 3 3 3 3 3 5 4 4 27 14 21 53 26 30 11 10 5 6 4 4 3 5 2 2 1 2 2 1 2 2 3 5 5 8 11 26 9 33 15 8 8 5 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 80 79 m 2H | 79 79 m 2H | 76 76 m 2H | 75 74 t 1H J 67 | 74 73 tt 1H J 9 22 | 72 72 m 1H | 72 71 dd 1H J 13 68 | 68 68 d 1H J 100 | 40 39 tt 1H J 48 57 | 37 36 m 1H | 35 35 m 1H | 28 27 dtt 1H J 9 79 132 | 27 26 m 1H | 21 20 m 2H | 20 18 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nn(-c2ccccc2)c2c1CSc1c(C#N)cccc1-2
ir: 2 6 11 2 2 12 3 3 3 1 21 6 12 2 1 3 2 2 2 1 1 2 2 2 2 1 2 2 3 11 10 3 4 14 4 2 9 6 6 20 6 17 66 31 2 1 3 3 2 8 2 4 2 12 3 2 2 1 2 2 2 1 2 2 2 4 2 4 5 13 2 3 3 4 4 6 2 11 6 2 5 3 2 4 2 3 6 6 2 2 2 2 3 3 4 3 2 5 12 3 4 2 2 2 2 3 2 3 5 8 11 6 7 4 3 3 7 4 4 20 6 3 8 7 15 5 2 5 30 11 3 15 10 2 29 47 10 1 3 100 0 4 4 33 2 8 3 7 1 2 7 9 34 5 3 9 2 3 2 1 4 3 2 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 3 27 2 1 1 2 2 1 2 1 2 2 2 1 2 2 1 1 1 1 2 1 1 1 1 2 2 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 2 2 2 2 2 2 2 2 2 2 2 3 4 5 5 2 2 3 3 3 3 10 10 35 58 98 8 7 4 4 3 3 2 2 1 2 2 1 2 2 2 2 1 2 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 dd 1H J 11 57 | 78 77 dd 1H J 13 60 | 76 75 m 5H | 74 74 m 1H | 44 43 m 4H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.