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CN(C)CC=CC(=O)N1CCC(n2cc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)C1
ir: 1 2 4 2 1 8 4 5 5 2 5 9 31 10 5 5 4 3 3 1 1 3 5 8 3 4 2 1 2 3 5 2 4 7 11 5 3 6 5 7 16 11 23 42 5 7 5 1 3 4 3 2 4 6 16 17 9 4 3 1 2 3 4 3 6 4 4 7 17 10 3 0 4 3 3 2 4 4 8 8 5 10 11 5 7 4 2 9 3 3 1 9 4 4 2 2 3 4 1 3 2 3 3 3 4 3 2 7 2 3 4 3 3 2 4 2 3 6 2 3 2 2 4 3 3 1 1 3 3 2 1 9 6 5 3 16 17 14 3 2 2 1 9 22 12 9 12 15 15 6 12 15 13 1 1 4 13 45 55 4 9 2 3 15 4 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 2 2 3 2 3 2 4 7 14 19 100 22 17 8 17 2 3 1 1 2 3 1 0 1 2 1 0 11 13 1 1 1 2 0 0 1 1 0 0 2 3 79 10 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 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; 1HNMR: 78 78 d 1H J 7 | 77 76 m 4H | 74 73 m 2H | 71 71 tt 1H J 14 75 | 71 70 m 4H | 66 65 dt 1H J 46 154 | 64 64 dt 1H J 13 152 | 42 42 ddt 1H J 7 15 22 | 41 40 ddd 1H J 7 14 127 | 38 37 m 2H | 37 36 ddd 1H J 45 64 112 | 32 32 dd 2H J 15 46 | 22 22 s 5H | 22 21 dddd 1H J 23 44 68 110 | 20 19 dddd 1H J 23 43 64 133
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc2c(c1)[nH]c1cc(OCCF)ccc12
ir: 23 64 15 15 14 4 5 5 9 9 10 10 10 6 3 4 4 6 3 5 6 4 5 11 11 8 5 6 6 2 1 5 4 2 2 5 4 4 4 6 4 1 2 5 4 0 3 6 4 0 3 17 51 97 25 3 5 5 5 5 4 3 5 9 18 12 32 30 12 19 11 8 4 3 8 9 4 6 7 7 8 6 5 7 2 2 6 9 9 8 9 11 5 11 13 10 7 4 4 4 2 2 5 4 3 5 8 14 6 12 40 18 7 6 6 9 4 6 7 4 3 8 9 7 15 7 6 4 1 4 7 3 5 5 6 2 2 11 41 5 2 4 4 1 6 12 5 1 2 7 16 80 27 14 11 8 3 4 4 1 3 5 7 55 100 9 6 2 3 4 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 6 4 3 4 4 4 3 3 4 3 4 10 10 8 16 45 65 70 29 8 6 3 4 4 5 3 1 5 7 3 3 4 4 3 2 5 5 4 3 4 7 7 19 42 16 4 8 9 6 3 3 4 3 1 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 91 91 s 1H | 80 80 d 1H J 76 | 79 79 d 1H J 81 | 71 70 d 1H J 22 | 69 69 d 1H J 20 | 69 68 m 2H | 48 48 t 1H J 35 | 47 47 t 1H J 35 | 43 43 t 1H J 35 | 43 42 t 1H J 35 | 30 30 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1(c2ccc(C#N)cc2)CCC1
ir: 3 8 3 2 1 1 2 1 2 3 4 2 1 1 2 1 0 1 2 1 1 2 1 1 1 2 7 27 5 34 5 6 3 8 3 4 5 7 4 3 2 1 1 1 1 1 1 1 1 1 1 0 1 3 4 8 7 13 5 3 11 3 2 3 2 2 2 1 1 3 4 1 4 1 1 0 1 1 0 0 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 6 5 3 11 6 2 2 1 1 1 1 0 1 1 2 2 6 5 2 2 1 2 10 4 3 2 2 1 2 2 13 3 4 2 4 3 6 5 7 4 2 2 3 1 1 1 1 3 8 27 100 19 20 4 5 47 5 7 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 8 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 10 2 1 2 2 6 10 14 28 37 8 5 2 1 3 3 1 0 1 1 2 4 2 2 1 1 1 1 1 1 3 2 0 21 8 2 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 m 2H | 74 73 m 2H | 63 63 s 1H | 24 23 dt 2H J 75 132 | 21 21 dt 2H J 75 132 | 18 17 pd 2H J 18 74 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCOc1ccc(CCBr)cc1
ir: 5 3 2 5 7 4 4 4 4 6 6 9 16 15 14 3 4 4 4 5 5 2 5 3 2 0 1 2 3 1 0 2 1 0 1 2 1 0 2 9 5 1 2 3 2 2 3 8 7 5 3 14 12 22 15 42 24 18 2 10 5 3 3 5 3 4 10 7 3 6 9 10 4 2 5 8 2 2 2 2 1 0 1 2 1 5 5 9 4 9 2 2 2 8 3 1 6 14 7 4 16 15 5 4 2 4 6 2 0 2 2 3 1 4 4 6 5 4 10 6 6 11 11 7 13 21 14 6 2 2 4 3 0 2 3 1 1 2 2 0 0 3 4 6 18 8 10 19 78 9 4 6 10 3 1 3 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 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 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 0 3 4 4 6 6 3 9 3 3 1 3 1 4 16 12 9 40 100 22 12 4 3 5 6 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 71 70 dt 2H J 9 85 | 68 68 m 2H | 44 43 t 2H J 51 | 42 42 t 2H J 51 | 36 35 t 2H J 45 | 31 31 tt 2H J 9 44 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=CN(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1
ir: 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 3 1 9 1 3 2 2 8 8 7 26 1 4 2 1 1 3 6 13 22 4 3 3 4 1 1 1 1 10 6 3 2 57 3 2 1 0 1 2 2 1 13 1 1 2 12 15 6 1 1 2 1 2 2 2 5 6 1 1 1 1 1 6 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 12 2 2 1 0 1 2 4 3 1 2 1 0 2 1 1 0 3 1 1 1 2 1 1 2 13 5 2 3 22 3 1 1 1 3 31 6 7 19 12 11 3 2 1 1 1 13 5 1 1 1 1 1 1 1 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 4 6 5 3 26 100 19 15 5 3 3 3 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 2 3 5 12 5 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H | 83 83 s 1H | 79 78 m 2H | 75 75 m 1H | 75 75 m 2H | 74 73 m 6H | 72 71 m 4H | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(NC(=O)CSC)C(=O)OCC
ir: 3 8 5 20 11 6 0 3 4 3 2 4 2 2 1 1 2 1 2 2 3 9 2 3 2 2 3 4 7 12 12 11 13 16 10 41 19 15 3 4 3 7 9 0 4 3 4 8 13 15 17 11 2 2 3 2 1 2 4 10 2 1 3 2 11 13 2 1 1 1 2 2 8 6 7 20 3 1 6 17 3 2 1 1 1 2 5 2 2 1 2 1 1 2 1 2 4 7 2 4 3 1 1 1 1 1 1 2 3 6 14 16 13 9 15 12 13 13 8 15 79 22 58 38 9 11 8 4 10 13 5 2 1 1 1 1 1 2 1 2 4 4 13 36 100 27 38 7 3 4 1 1 1 2 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 2 1 2 2 2 1 2 2 1 2 3 3 4 3 4 5 5 3 4 11 30 14 5 3 2 2 2 1 1 1 1 1 1 0 2 1 1 2 1 1 1 1 2 3 4 2 8 15 83 34 12 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0; 1HNMR: 75 74 d 1H J 93 | 50 50 d 1H J 93 | 43 41 qd 5H J 36 63 | 33 33 s 2H | 22 21 s 2H | 13 12 t 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(NC(=O)c1cncc(N2CCCC2)n1)c1ccc(OC(F)(F)F)cc1
ir: 4 2 0 1 1 2 1 1 4 5 1 21 11 42 31 15 8 5 5 4 3 3 1 2 3 1 3 6 13 5 2 4 2 3 6 12 23 30 9 3 5 16 31 20 4 2 2 1 5 4 1 2 2 1 14 13 10 8 3 7 8 5 7 11 6 29 9 8 1 11 5 1 1 1 2 2 3 4 12 13 11 15 4 4 16 4 2 3 3 2 7 4 3 11 16 11 37 16 32 75 52 38 13 5 2 4 5 6 16 23 17 12 19 7 7 9 4 1 6 3 5 4 3 4 4 2 2 2 9 6 31 10 5 1 0 1 1 2 2 2 2 100 14 3 15 19 7 10 24 18 4 8 11 8 1 4 4 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 3 2 2 2 4 3 1 7 15 4 10 23 7 4 3 3 1 1 1 2 1 0 0 1 1 1 1 0 1 1 1 1 1 0 3 11 32 5 2 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; 1HNMR: 87 86 d 1H J 16 | 80 80 m 2H | 73 72 m 2H | 72 71 m 2H | 51 50 m 1H | 39 38 m 5H | 36 36 dd 1H J 45 120 | 33 33 s 2H | 21 20 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccccc1-c1ccccc1
ir: 1 1 1 1 2 2 3 3 2 8 7 19 15 49 14 15 7 34 25 57 85 100 41 14 11 5 2 2 2 3 8 10 6 3 2 2 1 4 3 4 19 22 32 4 2 0 2 3 3 2 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 8 2 3 6 20 32 17 37 22 42 19 39 7 10 8 11 12 10 16 10 11 13 7 1 5 2 2 3 2 2 4 4 2 4 4 1 1 1 1 2 1 1 1 0 1 1 2 2 1 2 3 8 8 5 5 2 1 1 1 1 2 2 3 2 3 4 17 5 8 7 5 14 27 17 46 34 31 19 9 4 8 4 4 3 1 1 1 1 1 1 0 1 2 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 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 1 1 0 0 1 1 0 1 1 2 2 4 2 1 1 2 2 4 4 5 7 21 35 53 7 3 5 1 0 2 3 7 6 13 4 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 1H | 74 73 m 8H | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCC[C@H](O)C=C
ir: 5 7 4 6 7 7 9 5 4 5 5 5 5 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 5 5 5 5 4 4 4 4 4 5 5 5 4 5 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 7 8 6 7 6 10 5 4 7 6 8 6 6 8 6 5 6 6 5 6 7 12 15 16 9 6 8 7 5 5 5 5 5 5 5 5 5 5 5 5 4 6 7 5 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 4 4 4 4 4 4 4 4 5 5 5 5 5 5 6 9 10 8 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 4 4 5 5 4 5 5 4 4 4 5 4 4 4 5 5 5 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 6 5 5 5 6 5 6 6 7 5 6 7 7 8 4 7 9 6 5 6 8 8 1 11 23 18 100 21 0 8 10 6 2 7 10 9 4 6 6 5 4 6 6 5 4 6 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 59 58 dddt 1H J 9 75 112 165 | 53 52 dt 1H J 22 165 | 51 50 dt 1H J 23 112 | 42 41 dtd 1H J 25 51 95 | 26 25 d 1H J 46 | 26 25 dtd 1H J 26 68 106 | 25 24 dtd 1H J 26 68 106 | 21 20 t 1H J 25 | 19 18 dtdd 1H J 9 51 68 136 | 17 16 dtdd 1H J 9 50 66 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-n2ccnc(C)c2=O)sc1C(=O)NCc1ccccc1
ir: 5 6 6 5 7 10 15 36 27 13 20 15 10 7 4 4 3 4 3 2 6 3 2 5 3 2 9 3 6 8 12 21 18 1 1 4 5 5 12 24 22 21 10 9 2 14 16 39 62 60 15 3 3 3 4 2 4 4 10 38 19 5 2 12 12 10 10 2 8 7 4 3 4 8 10 6 5 7 10 4 1 2 3 13 3 2 2 3 13 11 23 15 7 6 1 4 4 18 7 12 7 3 3 2 2 2 2 5 2 4 2 3 4 3 3 6 9 5 15 31 19 20 7 14 17 8 4 5 13 4 4 3 5 15 20 25 32 6 13 11 59 79 17 33 69 65 15 5 7 6 25 30 19 8 2 3 1 0 1 1 1 0 1 1 1 1 2 4 4 0 2 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 5 4 4 6 6 6 3 7 10 9 13 9 17 48 52 47 54 100 53 50 18 11 8 5 7 4 4 3 3 2 1 1 2 2 2 2 3 3 2 8 8 18 34 30 4 4 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 80 80 t 1H J 51 | 74 74 d 1H J 88 | 74 73 m 1H | 73 73 m 4H | 73 72 m 2H | 45 45 dd 2H J 8 51 | 26 26 s 2H | 21 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)NCc2cccc(Cl)c2)cc2nn(CCn3cccn3)cc12
ir: 2 2 2 1 1 1 2 4 2 7 2 2 1 4 3 2 1 2 1 2 2 4 3 9 1 4 2 1 2 5 7 6 2 3 2 1 1 6 5 13 31 20 0 6 5 8 4 8 2 2 3 2 1 2 2 3 1 2 1 4 2 1 1 1 1 2 3 7 10 4 2 5 1 1 4 1 1 3 3 1 1 1 1 1 1 2 17 3 1 2 2 4 8 3 1 1 3 3 6 3 1 1 1 1 1 1 1 1 2 2 2 1 1 2 3 3 2 1 2 2 4 5 5 2 3 5 3 2 3 3 2 3 2 2 1 1 1 1 4 4 4 14 7 17 27 26 7 100 5 5 9 4 3 2 4 1 1 1 1 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 2 1 3 9 13 13 40 12 13 12 8 10 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 11 13 6 2 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 t 1H J 57 | 79 79 m 1H | 79 78 d 1H J 22 | 75 74 m 2H | 74 72 m 5H | 62 62 t 1H J 31 | 46 45 dt 2H J 8 57 | 45 44 m 4H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOc1ccc(C(=O)OC)c(C(=O)OC)c1
ir: 25 16 7 10 11 15 6 13 14 9 9 57 83 38 17 11 33 13 5 5 11 8 5 6 6 9 12 10 8 5 3 5 7 2 2 6 5 2 3 6 4 1 3 4 3 1 2 4 3 2 4 5 7 8 97 55 7 0 9 19 10 7 15 19 17 12 14 23 80 10 13 13 13 6 8 14 9 12 12 5 5 7 8 6 3 3 4 5 2 3 6 6 4 4 7 4 1 2 5 5 5 9 10 17 15 4 5 5 10 11 9 7 5 8 32 40 22 20 22 13 17 19 16 13 10 7 10 15 19 5 6 2 4 6 7 3 12 48 23 13 3 14 12 25 54 87 11 5 45 76 7 10 25 26 8 28 23 17 6 5 4 5 5 11 15 7 4 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 4 2 2 4 3 1 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 3 1 2 4 3 1 2 4 4 1 3 6 4 1 3 5 4 3 5 14 17 7 13 26 15 8 44 100 14 37 19 29 10 10 6 10 9 5 4 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 78 d 1H J 88 | 74 74 d 1H J 27 | 70 69 dd 1H J 27 88 | 61 60 ddt 1H J 56 114 170 | 54 53 m 1H | 53 52 ddt 1H J 13 24 169 | 45 45 dt 2H J 15 56 | 39 39 d 6H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CNCc2ccccc2C1(O)C1CCC1
ir: 10 4 7 10 65 32 29 60 66 16 7 3 23 37 10 5 39 32 10 5 5 4 5 9 22 8 4 4 5 3 5 4 2 3 3 4 6 1 15 6 5 7 25 51 63 2 3 9 6 3 2 8 17 21 14 9 5 24 57 15 12 9 10 6 5 3 6 8 14 7 6 8 11 3 16 18 2 2 7 5 9 19 15 16 8 10 8 62 93 18 18 14 3 4 7 26 17 27 11 5 8 7 3 3 4 3 3 3 6 6 12 5 65 70 23 13 6 3 4 6 7 5 2 6 4 14 20 7 5 3 3 3 3 3 3 4 5 7 6 3 3 2 1 4 6 1 1 2 2 3 13 7 3 1 1 2 2 1 1 2 2 3 2 2 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 2 1 1 1 2 1 2 3 4 3 3 3 6 7 10 25 18 12 10 6 4 3 2 2 5 59 100 10 3 1 1 2 2 2 1 2 20 46 54 4 1 0 2 2 0 0 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 1H | 72 71 m 3H | 43 43 d 1H J 59 | 41 41 dt 1H J 49 61 | 41 39 m 3H | 38 38 s 1H | 32 31 ddd 1H J 50 66 134 | 29 28 ddd 1H J 49 66 135 | 25 24 p 1H J 55 | 19 18 m 2H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1Cc2ccccc2C1
ir: 7 4 3 2 3 2 2 8 5 2 3 4 2 4 6 4 4 12 2 3 3 5 3 2 2 2 1 2 2 3 4 3 3 2 2 2 2 2 2 2 6 70 42 40 5 2 3 1 2 2 2 2 2 2 2 2 2 1 2 2 2 3 2 2 8 8 2 3 6 2 2 3 4 5 5 19 6 2 2 1 2 2 0 11 1 1 5 9 72 16 2 7 6 4 4 2 4 14 13 32 3 3 3 3 2 2 5 9 7 5 2 5 10 8 12 6 5 5 6 3 3 2 4 8 14 5 4 3 3 4 5 14 11 4 2 3 6 52 6 82 2 4 3 15 100 6 4 5 4 42 4 1 1 3 2 1 1 3 7 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 3 2 2 3 4 5 7 3 4 5 14 21 7 20 15 12 11 60 25 4 5 4 3 2 2 2 1 2 2 1 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 m 4H | 42 41 q 2H J 64 | 32 31 ddd 2H J 9 68 148 | 29 29 ddd 2H J 9 67 145 | 29 28 m 1H | 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.
c1cc2ccc(-c3ccsc3)cc2cn1
ir: 2 2 1 1 1 1 2 3 12 4 0 2 3 2 2 2 2 1 1 3 2 1 1 2 2 1 1 2 3 2 2 3 4 12 40 28 10 9 3 4 7 20 6 11 7 8 3 0 1 5 5 53 5 2 3 3 20 100 3 6 2 1 3 5 2 3 3 5 29 7 4 2 1 1 2 2 1 1 8 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 4 7 29 35 9 20 24 6 3 2 23 7 2 3 1 2 2 2 1 2 2 1 1 1 2 3 7 12 7 2 2 3 2 2 4 4 4 2 1 2 2 1 2 2 5 4 5 12 4 5 7 6 4 4 21 5 3 2 2 2 2 0 41 3 1 2 2 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 4 56 21 35 42 58 31 12 13 3 3 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 90 t 1H J 15 | 86 86 dd 1H J 13 45 | 82 81 dd 1H J 11 83 | 80 79 t 1H J 19 | 78 77 dd 1H J 21 80 | 77 77 m 1H | 75 75 t 1H J 17 | 75 74 dd 1H J 16 55 | 74 74 dd 1H J 17 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)Nc1ccc(-c2cccc(CN(C)C(=O)CNC(=O)OC(C)(C)C)c2)cc1
ir: 5 11 25 7 6 5 2 1 7 5 4 5 2 4 4 6 7 2 4 4 4 7 6 10 5 3 3 1 1 7 10 60 35 32 5 11 5 8 3 18 44 8 9 0 4 5 24 38 27 3 2 2 2 3 3 6 30 7 2 2 1 2 4 4 2 2 1 0 5 6 3 2 4 2 1 2 1 2 1 4 2 3 1 1 3 2 3 1 2 1 4 5 4 4 2 4 4 4 5 8 4 1 2 6 8 2 1 1 1 2 1 1 2 2 2 1 2 3 3 7 6 11 5 12 4 24 45 7 11 12 8 9 17 9 6 7 2 2 2 10 19 3 2 12 8 10 70 30 8 71 30 80 100 73 11 7 6 2 2 2 16 1 1 2 8 2 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 2 1 1 2 2 2 2 1 3 3 4 6 24 12 29 37 30 12 4 3 3 2 1 0 2 1 1 1 2 1 2 1 1 0 2 2 3 7 21 38 92 37 8 2 4 2 3 1 1 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 76 75 m 7H | 75 74 t 1H J 79 | 73 73 ddq 1H J 10 21 78 | 57 56 t 1H J 56 | 45 44 d 2H J 9 | 41 40 d 2H J 55 | 30 29 s 5H | 29 29 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCCc1ccc(C(=O)O)cc1
ir: 1 1 0 1 1 1 1 2 2 1 2 8 3 7 4 4 14 3 10 3 17 100 42 20 5 1 4 6 28 17 7 6 4 2 3 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 0 3 3 1 4 11 6 2 2 2 2 1 1 1 1 3 3 2 2 10 4 3 3 2 10 2 14 5 11 13 3 1 1 2 1 1 7 12 5 1 1 4 3 1 1 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 3 3 1 2 4 18 10 4 2 1 3 4 4 4 4 4 3 1 1 3 4 4 1 2 2 1 0 1 2 1 2 7 31 45 10 44 31 8 5 5 4 5 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 7 5 4 7 12 6 2 3 1 1 1 1 2 30 25 10 2 1 1 1 1 1 0 3 3 7 10 11 16 5 5 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 79 79 m 2H | 72 71 dt 2H J 9 82 | 64 63 t 1H J 52 | 35 34 q 2H J 53 | 29 28 tt 2H J 9 55 | 20 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(c1ccc(-c2ccc([C@@H](O)[C@@H](CF)NC(=O)C(F)F)cc2)cn1)N1CCOCC1
ir: 2 2 3 8 11 5 4 4 4 2 4 5 2 2 1 7 4 4 3 3 3 4 8 3 2 4 3 5 4 2 1 2 2 6 3 2 5 15 19 48 18 4 9 1 3 3 3 4 1 1 4 6 12 36 35 11 2 11 17 3 2 4 4 0 1 4 3 7 6 9 11 4 11 21 8 2 4 7 1 1 2 8 12 4 6 4 20 19 21 24 30 27 6 6 3 3 4 3 6 5 2 3 1 1 2 2 3 3 3 4 3 5 11 5 7 4 4 4 4 4 4 2 2 4 4 4 3 3 7 6 4 2 2 3 1 1 1 1 2 7 4 1 1 4 8 11 22 22 4 2 3 4 6 7 2 1 1 0 3 2 1 0 1 5 7 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 3 3 3 4 3 7 6 11 15 27 12 6 2 2 3 10 100 65 4 2 1 1 1 1 1 1 1 0 0 1 1 5 4 16 8 5 2 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 20 | 78 77 dq 1H J 28 117 | 77 77 dd 1H J 18 84 | 76 75 m 2H | 75 74 dd 1H J 6 84 | 74 73 m 2H | 50 50 dddd 1H J 8 15 46 71 | 47 47 dd 1H J 33 103 | 46 46 dd 1H J 34 102 | 46 45 dd 1H J 33 103 | 45 44 dd 1H J 34 102 | 43 42 dddt 1H J 33 81 114 170 | 41 41 m 1H | 37 36 m 6H | 29 29 ddd 2H J 33 55 126 | 28 27 ddd 2H J 33 54 125 | 15 14 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(N)ccc1C#Cc1c(-c2ccc(C(=O)OC)c(F)c2)ccnc1CC
ir: 7 9 5 6 6 5 7 3 16 6 5 4 5 2 9 3 3 7 11 10 2 5 10 4 20 7 18 4 1 0 2 1 3 4 3 5 2 8 14 18 16 13 8 5 4 3 6 10 5 7 4 6 2 2 5 21 10 5 3 2 2 2 1 2 2 2 1 6 6 2 3 5 3 5 2 5 3 9 1 2 1 1 1 3 1 6 4 6 3 1 1 1 1 1 2 4 1 1 1 0 0 1 1 2 3 2 2 6 4 4 2 3 1 3 2 5 3 7 4 3 14 2 5 7 23 4 4 2 5 1 1 3 5 3 1 2 11 22 10 17 3 1 1 3 2 2 20 44 28 54 35 20 20 54 6 3 8 14 12 44 7 1 1 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 2 2 1 1 1 2 2 8 15 5 16 26 19 8 2 5 3 2 1 1 1 1 1 0 1 1 1 1 2 9 67 3 0 1 1 1 1 0 2 1 9 72 100 10 2 1 1 1 0 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; 1HNMR: 86 85 d 1H J 38 | 80 80 m 1H | 76 75 m 3H | 75 74 d 1H J 38 | 65 64 d 1H J 79 | 52 51 s 2H | 39 38 s 2H | 29 29 q 2H J 64 | 28 28 q 2H J 64 | 14 13 td 6H J 20 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCO/C(C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC
ir: 13 12 22 11 20 11 3 16 24 6 3 7 6 7 52 7 4 2 1 3 13 10 2 2 47 9 3 5 16 9 3 14 10 4 6 6 6 4 9 44 17 36 49 36 15 7 8 6 8 5 4 11 9 21 13 12 9 7 51 4 8 3 6 12 25 12 8 26 38 2 27 24 11 13 16 58 64 7 13 18 3 3 4 3 2 1 4 4 1 2 10 36 15 4 11 11 5 3 8 9 24 9 7 6 2 29 14 8 5 10 10 4 3 7 9 2 9 10 13 11 10 4 8 24 23 10 8 7 6 4 8 5 3 6 5 37 11 5 3 6 12 18 17 31 46 100 33 8 9 8 4 4 14 3 36 56 8 25 20 5 11 6 3 1 4 4 2 1 2 4 3 0 2 5 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 5 2 1 3 3 2 1 3 3 1 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 0 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 2 1 3 3 1 2 3 3 1 2 4 4 4 6 7 5 2 4 8 9 6 4 7 9 7 7 20 55 12 39 39 49 24 13 5 4 3 4 4 4 4 3 3 2 1 2 3 2 1 2 2 1 2 2 3 1 2 3 2 1 2 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 78 m 2H | 75 74 m 2H | 73 72 tt 1H J 13 72 | 42 41 q 2H J 63 | 38 38 s 2H | 36 36 s 3H | 24 24 s 3H | 14 13 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCCNC(=O)c1ccc(OCC2CCCCC2)cc1
ir: 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 5 8 3 3 2 1 1 1 1 5 12 2 1 1 1 1 1 2 3 7 25 22 5 5 2 3 1 2 2 3 2 4 3 15 4 4 4 8 2 3 14 5 3 1 1 2 2 2 2 3 3 4 3 2 16 11 18 5 4 1 1 2 3 8 3 1 2 1 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 3 2 2 2 4 3 8 3 4 5 5 2 3 2 2 3 5 5 9 5 1 3 3 11 6 3 4 13 58 7 5 14 8 6 2 1 2 4 18 25 15 12 8 2 2 3 2 6 2 1 2 1 1 1 1 1 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 3 2 2 3 5 2 2 2 2 1 3 6 5 8 34 6 4 2 2 2 2 1 1 1 3 9 4 10 16 15 7 8 9 2 5 15 100 40 28 8 15 5 6 1 1 3 2 0 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 78 77 m 2H | 73 73 t 1H J 50 | 70 69 m 2H | 40 39 d 2H J 51 | 33 33 q 2H J 56 | 31 31 m 2H | 20 18 pt 1H J 51 65 | 17 17 t 2H J 65 | 17 15 m 8H | 15 13 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/[C@H](c1ccc(C(F)(F)F)cc1)[C@@H](COC(=O)C(C)(C)C)C(=O)OC(C)(C)C
ir: 16 16 22 7 4 6 2 3 6 14 16 16 13 10 4 9 3 7 4 21 3 1 1 1 1 1 2 2 2 3 1 1 1 1 0 0 1 0 2 4 4 1 0 0 1 0 1 1 0 1 8 2 4 2 10 41 16 4 3 2 2 7 7 6 1 1 5 4 4 2 4 3 4 4 4 6 5 14 4 2 1 1 1 2 2 2 29 22 2 2 1 1 3 3 1 3 6 9 76 86 9 2 4 3 2 3 2 4 6 5 2 11 100 16 21 9 0 4 8 8 23 22 14 13 29 24 28 19 9 24 31 21 7 4 7 2 2 0 1 1 1 1 2 5 10 73 77 21 5 13 4 1 5 10 1 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 2 6 5 2 3 2 3 3 3 6 6 8 19 23 74 21 28 57 15 10 1 1 2 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dq 2H J 13 76 | 74 73 m 2H | 59 58 ddp 1H J 16 97 146 | 57 56 dqd 1H J 9 54 145 | 45 45 dd 1H J 53 114 | 43 43 dd 1H J 53 114 | 42 41 m 1H | 33 33 dtd 1H J 17 51 93 | 17 17 m 3H | 13 13 s 8H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)Nc2cccc(C3CC(C)(C)c4cc(Cl)ccc4N3)c2)cc1
ir: 4 16 1 32 23 7 4 6 9 16 23 19 32 9 10 11 8 8 3 4 6 5 4 5 6 8 3 10 8 5 4 21 12 13 8 7 7 4 11 6 8 5 5 3 1 3 5 6 10 14 17 11 8 33 43 1 4 3 1 2 4 5 8 1 8 5 6 16 14 9 10 2 2 2 1 2 2 2 3 3 4 27 4 6 78 4 4 5 16 8 13 4 4 19 9 6 6 8 5 5 10 22 13 7 5 2 17 5 3 2 0 1 2 2 3 6 38 22 32 29 2 7 7 8 13 13 1 8 4 2 11 4 2 2 3 1 3 2 8 8 26 39 9 10 2 39 8 6 3 3 4 23 18 9 11 2 18 6 3 2 6 3 12 2 1 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 3 1 1 2 7 6 6 33 100 31 17 7 7 7 5 2 1 2 2 2 2 3 3 1 1 2 2 2 2 4 16 31 56 35 48 52 18 8 1 2 2 2 1 1 2 1 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 s 1H | 77 77 m 2H | 74 73 m 3H | 73 72 ddd 1H J 14 21 79 | 72 71 m 4H | 69 68 m 1H | 48 47 m 1H | 42 42 d 1H J 68 | 24 24 m 4H | 22 21 dd 1H J 49 137 | 14 14 s 2H | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCNC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(C)c(I)c3)cn2)CC1
ir: 11 13 10 15 8 11 9 9 6 12 12 6 13 13 17 8 11 6 7 6 9 13 6 16 9 8 7 13 7 7 8 6 6 6 8 10 17 35 83 51 43 80 25 28 12 18 13 8 13 9 9 10 16 28 31 17 9 11 7 8 6 6 10 12 10 8 24 35 11 8 14 6 7 6 8 10 8 8 4 7 6 7 5 5 7 12 16 14 6 9 14 10 9 5 9 7 6 6 7 9 10 12 10 13 12 7 10 6 5 8 12 17 16 20 17 15 5 10 13 15 31 19 18 14 9 9 11 15 6 14 10 10 7 7 6 9 12 10 15 31 66 57 23 37 43 26 52 90 29 14 36 35 100 49 84 40 28 6 5 7 5 4 78 12 7 14 7 0 4 8 4 0 4 6 4 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 2 4 4 3 3 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 6 4 6 6 5 4 5 9 8 7 5 7 6 6 9 11 28 18 35 56 29 10 10 5 4 3 5 6 5 3 4 5 5 5 7 7 7 7 11 13 7 16 27 69 75 24 12 7 6 4 5 5 5 4 4 4 4 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 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 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 89 89 s 1H | 87 87 d 1H J 19 | 80 79 d 1H J 21 | 79 79 dd 1H J 18 75 | 76 76 dd 1H J 22 77 | 71 71 dq 1H J 9 76 | 70 69 d 1H J 75 | 68 67 t 1H J 55 | 42 41 q 2H J 66 | 37 36 m 4H | 35 35 dd 4H J 46 62 | 35 34 td 2H J 55 65 | 26 26 t 2H J 64 | 24 24 d 3H J 11 | 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.
Nc1cccc(NC(=O)Cc2ccccc2)c1
ir: 18 8 13 6 5 6 3 4 1 2 1 1 3 3 5 6 9 5 4 4 3 3 1 3 3 4 7 3 5 9 8 9 5 10 7 14 6 2 8 9 5 6 4 4 4 9 26 20 8 5 6 0 7 10 4 2 2 1 1 1 1 2 1 1 1 1 2 3 10 2 2 2 1 0 1 2 5 4 1 2 3 4 4 3 1 1 1 1 3 4 2 2 31 4 2 1 1 2 2 3 3 2 9 4 2 1 1 1 1 3 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 2 11 2 2 2 5 3 4 9 14 3 13 92 12 13 2 3 8 10 22 20 11 5 12 56 11 3 4 10 41 5 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 0 1 2 2 1 6 7 6 7 17 100 14 10 4 2 3 2 2 1 1 1 1 1 1 1 1 2 4 15 12 8 4 6 6 93 8 10 3 4 6 76 29 4 4 2 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 91 s 1H | 74 74 ddd 1H J 13 22 82 | 73 72 m 7H | 70 70 t 1H J 22 | 66 65 ddd 1H J 12 22 77 | 40 39 s 2H | 37 37 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(O)cc1
ir: 4 5 3 2 5 3 2 9 1 3 6 3 2 2 2 4 3 2 3 4 5 16 4 5 2 2 2 2 9 18 3 3 2 2 2 2 3 6 29 42 39 31 11 6 4 1 3 3 4 1 1 1 3 4 26 2 16 9 5 3 2 1 2 2 1 5 11 14 3 9 5 2 1 1 3 3 1 4 8 5 43 32 17 14 8 3 3 6 13 8 2 3 11 5 3 10 1 1 5 1 1 1 2 1 1 2 6 2 5 3 2 2 3 6 3 1 1 1 2 5 2 2 3 8 5 2 6 3 2 3 8 9 2 2 2 2 2 1 2 2 5 5 6 74 9 21 10 4 10 9 8 25 6 2 4 2 1 2 1 2 1 2 4 14 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 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 4 1 1 2 1 0 2 7 7 6 33 100 13 9 5 3 3 6 4 49 13 3 3 1 3 2 2 1 2 2 3 3 3 8 8 18 12 5 3 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; 1HNMR: 83 82 s 1H | 79 78 t 1H J 49 | 78 77 m 2H | 74 73 d 1H J 19 | 72 71 m 2H | 70 69 m 2H | 38 37 q 2H J 54 | 30 30 td 2H J 7 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ccc(CCNCc3ccccc3)cc2)cc1
ir: 2 1 2 2 2 2 2 7 5 5 9 2 1 1 7 26 3 5 3 1 1 1 4 1 1 1 2 1 1 8 5 4 4 4 10 2 3 6 21 14 29 6 6 5 17 15 3 3 2 2 2 1 6 67 10 13 11 9 11 4 1 1 1 1 1 4 11 7 3 6 6 3 4 0 1 1 1 1 1 1 1 0 1 1 0 0 1 3 1 18 1 1 1 1 1 3 1 4 3 6 1 1 1 1 0 1 2 1 0 7 10 12 7 10 42 24 4 10 4 3 6 4 8 6 10 4 4 5 13 10 1 3 4 2 4 16 9 3 2 1 1 1 18 53 5 10 24 3 3 2 5 4 3 1 2 1 1 0 0 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 4 12 13 34 100 28 25 3 0 2 3 2 2 2 1 1 0 1 1 1 2 2 5 7 15 12 3 4 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 77 76 m 2H | 76 75 m 2H | 74 72 m 8H | 42 42 dt 2H J 8 53 | 39 39 s 2H | 33 32 q 2H J 51 | 32 31 p 1H J 52 | 29 29 tt 2H J 8 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C)cc(-c2cccc(C(F)(F)F)c2)nc1OCCOCc1ccccc1
ir: 1 4 6 3 2 7 13 3 5 6 2 4 2 7 6 9 9 8 6 2 3 2 4 2 3 3 3 3 4 11 26 24 21 10 3 4 4 4 11 100 17 5 4 5 4 3 9 15 23 2 2 6 3 1 3 3 1 1 3 2 6 4 5 13 9 2 7 22 8 16 10 2 7 23 11 5 10 4 4 5 9 5 2 2 1 1 1 2 6 3 2 2 1 2 3 3 2 7 20 11 12 4 5 10 18 4 4 3 4 20 29 7 17 6 3 3 6 22 7 5 5 4 2 3 4 4 9 6 9 6 1 2 2 3 8 18 7 3 1 4 10 12 25 75 18 8 6 25 41 21 62 7 4 3 12 26 4 6 37 1 5 4 4 7 6 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 1 2 3 2 2 2 3 3 3 2 4 9 31 29 16 60 55 29 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 83 83 t 1H J 21 | 78 77 m 2H | 77 77 dd 1H J 82 103 | 74 73 m 5H | 71 71 s 1H | 46 45 t 2H J 52 | 45 45 d 2H J 8 | 39 38 m 2H | 39 39 s 4H | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C2CCOCC2)ccc1N(C)c1cc2c(cn1)ncn2C
ir: 1 4 12 5 1 4 2 6 2 7 1 1 0 2 3 5 3 1 3 6 5 3 7 4 9 38 15 2 3 3 3 0 1 2 2 0 5 22 3 4 3 5 3 3 1 1 1 1 2 6 4 1 1 4 19 15 2 3 2 3 6 2 1 9 20 20 22 30 2 5 2 7 8 10 13 9 8 10 4 14 2 2 1 0 0 2 2 0 7 6 13 2 2 3 2 8 21 8 2 19 9 4 3 2 3 2 3 2 5 5 3 7 3 2 4 3 5 4 3 3 6 6 3 2 2 4 3 5 4 4 3 5 2 11 15 12 4 5 5 8 24 4 5 2 2 2 18 4 2 4 9 13 4 3 19 7 1 0 0 1 1 0 11 16 100 17 3 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 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 2 1 1 3 3 2 4 3 3 2 2 2 4 3 14 8 13 52 14 8 3 2 1 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 87 s 1H | 85 84 s 1H | 70 70 m 2H | 70 69 s 1H | 69 68 t 1H J 9 | 39 39 d 3H J 7 | 36 35 m 5H | 35 34 ddd 2H J 34 61 112 | 30 29 m 1H | 26 25 qd 2H J 9 74 | 23 22 dtd 2H J 34 60 139 | 20 19 dtd 2H J 34 60 139 | 13 12 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(CCOS(=O)(=O)c2ccc(C)cc2)nc1
ir: 3 8 22 11 11 3 6 7 25 37 14 16 51 4 3 1 0 2 2 1 1 1 2 5 6 2 2 2 2 2 9 4 4 4 5 4 2 3 3 2 3 5 9 27 3 5 3 2 2 3 3 3 13 16 10 8 5 2 2 2 2 1 5 8 17 25 5 22 14 16 9 5 2 1 2 1 2 4 3 1 4 11 3 4 41 25 1 5 19 5 5 3 5 14 17 10 7 5 2 2 4 2 2 2 2 3 2 2 2 2 2 3 3 4 5 3 2 2 3 4 3 6 12 6 11 18 5 3 1 2 2 4 2 3 11 16 39 28 9 4 4 3 1 1 3 2 5 22 21 33 9 6 5 2 2 2 2 1 2 4 14 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 2 2 1 2 2 3 3 7 12 12 24 34 100 25 11 7 3 3 3 1 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: 87 87 dt 1H J 9 20 | 82 81 ddt 1H J 9 19 81 | 77 76 m 2H | 75 74 m 2H | 71 70 dt 1H J 10 81 | 44 43 t 2H J 64 | 31 30 td 2H J 9 65 | 28 27 qt 2H J 9 77 | 24 24 d 3H J 9 | 13 12 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)COc1ccc(-n2ncc(C(=O)O)c2Cl)cc1C#N
ir: 4 3 2 3 5 4 5 2 3 2 2 3 4 2 2 6 6 7 8 15 13 100 75 28 2 5 3 2 3 12 15 26 5 3 3 3 4 2 4 6 4 4 3 3 2 2 3 4 3 2 2 3 3 5 7 11 3 2 3 3 5 5 5 4 3 3 3 4 9 6 5 3 2 2 2 2 3 15 8 6 3 2 2 3 6 2 3 7 4 4 3 3 2 2 3 2 2 3 2 3 4 4 5 4 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 5 8 9 5 4 4 5 4 4 3 3 5 3 2 3 4 3 3 9 7 2 2 2 3 3 2 2 2 2 3 4 5 21 29 11 4 3 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 10 17 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 7 6 6 11 18 15 5 3 2 2 3 3 0 63 76 3 4 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 81 81 s 1H | 79 79 d 1H J 21 | 78 78 dd 1H J 22 84 | 73 72 d 1H J 84 | 39 39 s 2H | 11 11 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](OCc1ccccc1)[C@H](N)C(=O)OC
ir: 4 7 3 3 3 4 4 3 1 2 1 1 1 1 0 0 0 0 0 0 0 1 1 2 4 1 1 3 1 2 4 15 2 2 1 1 1 2 5 34 17 5 5 1 5 3 2 1 1 1 0 2 2 1 2 0 4 3 3 3 3 2 3 9 52 22 17 10 12 21 28 30 10 8 11 15 25 2 4 11 17 3 3 5 2 1 1 2 2 5 1 1 1 1 1 2 1 4 3 1 1 1 2 3 4 5 9 2 1 1 1 1 1 1 4 3 4 2 4 2 2 4 5 4 1 2 3 12 13 25 42 22 16 12 5 18 1 2 1 0 1 2 2 5 2 2 18 2 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 2 1 1 2 2 4 2 5 7 4 5 9 27 5 2 0 1 2 1 1 1 3 2 5 6 7 11 5 11 13 10 11 7 31 100 1 4 2 1 0 1 0 0 1 1 1 1 0 1 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 0; 1HNMR: 74 73 m 5H | 46 45 m 1H | 44 44 m 1H | 42 41 td 1H J 62 70 | 40 40 d 2H J 65 | 39 39 dtq 1H J 15 44 75 | 37 36 s 2H | 18 17 dqd 1H J 45 81 137 | 16 14 dqd 1H J 46 82 137 | 9 9 td 3H J 15 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NOc1cc2sc(C(F)(F)F)nc2cn1
ir: 6 14 5 12 9 16 26 6 3 7 1 4 10 9 13 20 10 9 14 16 15 22 25 19 18 9 17 7 3 4 5 3 3 3 12 20 4 11 33 4 2 3 3 1 2 2 2 0 1 2 2 1 3 4 3 12 7 5 3 1 3 5 4 4 3 2 48 14 5 3 2 2 2 2 1 1 2 2 1 4 13 5 19 8 4 4 3 3 4 2 1 1 4 7 40 13 6 20 33 9 2 1 3 2 1 1 2 2 1 2 3 29 2 2 8 4 3 2 3 49 5 4 3 2 1 2 4 6 4 7 15 8 3 4 11 6 89 13 6 1 1 3 7 4 8 95 30 8 6 100 18 10 22 0 1 3 3 1 1 3 6 17 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 4 3 2 2 2 1 1 2 1 2 2 7 4 10 34 5 5 15 9 4 3 3 2 2 1 1 1 2 1 3 5 3 2 1 2 2 2 2 2 3 6 16 67 4 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 s 1H | 80 80 s 1H | 73 72 s 1H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1cc(OC)c(OC)cc1-c1nc2c(CBr)cccc2o1
ir: 3 3 2 6 8 7 5 5 7 4 4 5 17 14 8 13 10 9 10 11 4 5 3 3 3 2 1 3 4 5 6 4 3 3 7 8 5 5 6 17 41 28 17 9 3 4 9 19 63 37 10 8 11 3 3 3 2 1 3 5 6 8 6 11 6 7 14 27 25 56 28 17 30 14 19 6 5 9 19 12 6 4 3 2 2 2 2 2 2 2 3 4 8 8 3 2 1 3 5 10 3 6 5 9 6 3 4 3 6 7 11 4 2 4 4 3 5 8 6 7 4 4 3 3 4 4 6 7 4 6 43 44 20 16 7 5 5 4 6 39 17 38 11 3 19 3 3 0 5 13 11 25 12 20 20 7 2 11 7 2 1 2 2 2 2 2 2 0 1 2 2 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 2 3 2 2 4 6 5 2 3 4 2 5 6 9 19 9 12 100 30 13 5 4 2 3 3 3 2 2 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 75 74 dd 1H J 14 78 | 74 74 ddt 1H J 9 16 84 | 74 73 m 2H | 69 68 s 1H | 49 49 s 2H | 46 46 d 2H J 7 | 39 38 d 6H J 64 | 35 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1C/C=C/C(=O)O
ir: 4 4 7 12 12 18 6 8 12 10 5 6 7 11 15 8 4 6 8 16 28 46 30 31 26 5 2 7 4 1 1 6 8 4 3 3 3 2 2 2 3 1 2 4 5 1 35 25 5 21 11 13 8 11 22 10 11 0 6 6 4 1 4 5 2 1 4 10 15 0 4 7 10 14 23 25 21 57 100 64 18 12 31 34 15 7 4 6 6 5 5 2 3 3 4 20 8 4 5 3 1 5 15 7 17 11 17 5 3 2 3 2 1 3 4 3 3 6 8 6 1 7 4 3 5 7 10 31 11 23 27 13 2 4 2 10 4 7 3 9 4 5 5 17 6 82 16 7 4 15 4 2 12 6 4 4 36 4 8 24 54 27 6 3 2 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 4 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 2 4 5 1 2 6 5 4 6 25 28 20 11 46 23 33 9 2 3 4 3 8 63 65 8 5 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 74 73 m 1H | 69 68 m 3H | 62 61 q 1H J 13 | 60 60 dt 1H J 13 150 | 53 53 dd 2H J 8 36 | 46 46 dd 2H J 14 49 | 23 23 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCNc1ncnc2oc(-c3ccccc3OC)c(-c3ccc(OC)cc3)c12
ir: 15 9 12 6 17 14 11 22 36 24 8 14 7 11 9 16 8 11 13 9 22 10 15 16 5 10 11 11 9 6 4 4 8 4 4 5 5 5 5 11 7 7 35 34 14 29 4 7 6 4 6 6 5 15 9 19 15 7 4 2 8 6 17 7 15 8 6 5 5 25 4 4 4 2 3 5 11 11 29 16 3 2 4 4 2 2 2 3 4 6 6 2 5 6 10 10 5 19 12 8 2 6 7 9 8 3 3 4 5 6 10 5 6 11 21 22 38 14 12 19 18 10 11 4 3 6 7 7 4 5 7 7 7 11 16 53 20 8 16 12 15 7 9 5 47 17 40 72 100 24 11 7 8 6 6 0 4 7 28 4 3 3 2 0 17 4 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 3 3 3 5 6 11 8 22 5 15 91 32 11 6 6 3 2 2 5 2 1 3 3 3 3 3 3 4 5 5 5 4 9 36 76 36 30 21 9 6 6 3 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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; 1HNMR: 83 82 s 1H | 81 81 t 1H J 48 | 78 78 dd 1H J 14 90 | 74 74 m 2H | 73 72 m 2H | 70 69 m 3H | 39 39 s 3H | 38 38 s 3H | 37 36 s 3H | 35 35 td 2H J 47 62 | 23 23 t 2H J 85 | 17 16 tt 2H J 63 74 | 16 15 m 2H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](CCBr)C(=O)OC1CCCC1
ir: 5 13 8 12 9 11 5 5 9 11 13 6 12 6 6 3 4 3 1 3 3 1 3 3 5 6 6 7 8 8 21 37 62 16 14 10 22 11 13 5 4 3 4 3 2 0 2 7 5 1 1 5 3 5 5 4 3 1 3 8 4 5 9 3 3 1 2 5 3 2 7 5 2 3 18 3 4 2 7 8 2 1 2 2 0 0 2 2 0 1 3 3 2 2 4 8 16 9 7 11 6 6 12 8 2 3 6 11 8 34 17 14 6 7 10 5 4 5 10 20 17 33 20 14 21 15 14 22 13 17 18 13 4 3 4 1 1 3 4 2 2 10 33 23 48 100 54 13 10 77 10 4 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 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 2 1 1 1 2 1 1 1 1 1 1 2 2 2 3 3 5 7 7 6 5 6 3 5 15 8 15 34 29 2 4 6 2 0 1 3 1 0 1 2 1 1 2 3 1 0 1 2 1 1 2 3 1 4 13 33 59 11 5 3 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 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 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 54 54 d 1H J 82 | 50 49 p 1H J 38 | 44 43 dt 1H J 66 81 | 36 35 dt 1H J 46 117 | 35 34 dt 1H J 46 117 | 25 24 ddt 1H J 46 66 150 | 22 21 ddt 1H J 46 66 155 | 19 17 m 4H | 17 16 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(O)CN1CCC(C(=O)c2ccccn2)CC1
ir: 9 5 3 7 6 6 8 4 4 5 5 8 8 9 5 4 5 4 5 6 14 28 72 64 21 9 7 4 7 13 19 8 5 4 4 16 4 4 4 4 3 10 15 8 4 4 5 3 5 3 5 4 9 6 16 19 5 2 3 4 4 4 4 4 7 5 4 3 6 5 15 3 3 3 3 5 8 9 26 25 9 9 25 8 9 12 5 4 5 4 4 3 2 3 3 3 3 4 22 16 7 7 16 7 5 6 7 7 4 7 5 5 3 6 4 4 3 4 6 11 4 5 4 5 4 5 11 17 22 8 9 7 5 4 8 4 16 7 4 3 3 5 6 17 31 10 5 4 3 3 3 2 2 4 10 1 3 29 11 5 3 2 3 3 3 2 2 3 2 2 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 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 3 3 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 3 3 3 2 3 3 3 2 4 4 4 4 4 4 5 6 5 5 10 3 7 22 8 5 4 6 3 0 4 10 19 100 4 0 4 5 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 93 92 s 1H | 87 87 dd 1H J 16 42 | 79 78 dd 1H J 16 79 | 78 78 m 1H | 76 76 ddd 1H J 16 42 71 | 34 34 s 2H | 33 32 p 1H J 62 | 30 29 ddd 2H J 55 82 125 | 28 27 ddd 2H J 55 82 125 | 23 22 dddd 2H J 55 62 82 125 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@H](C)Oc1cc(O)cc(C(=O)O)c1
ir: 3 2 0 2 4 4 5 2 4 3 2 9 6 3 2 5 10 5 3 5 7 51 58 24 3 1 1 3 3 1 1 3 2 0 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 2 3 2 3 3 2 1 3 4 2 1 2 4 3 1 6 5 11 4 3 3 1 3 3 6 19 100 33 3 4 3 18 18 4 5 8 8 1 2 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 2 2 5 3 3 1 1 2 4 2 1 3 8 4 1 2 5 5 1 3 3 3 1 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 9 20 3 1 1 2 2 1 1 2 1 0 1 2 1 1 4 14 5 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 2 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 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 1 1 1 2 2 0 1 2 2 1 2 4 5 2 3 20 10 1 2 3 1 0 2 19 14 51 30 5 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 87 86 s 1H | 72 72 d 2H J 22 | 66 65 t 1H J 22 | 46 45 qt 1H J 42 62 | 36 36 dd 1H J 43 114 | 34 34 dd 1H J 43 114 | 34 34 s 2H | 14 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(C(=O)OCCC(C)=C(F)F)cn1
ir: 12 31 43 26 9 8 4 3 4 4 2 2 3 3 3 3 3 2 2 2 2 1 1 2 4 5 8 14 1 3 3 4 4 13 100 97 25 5 4 3 3 2 2 3 2 3 3 4 4 4 4 4 10 43 30 6 7 2 3 3 2 2 3 3 4 2 5 2 4 5 54 5 2 4 2 2 3 7 6 16 4 2 2 2 1 1 1 1 2 3 34 20 2 2 3 2 1 2 2 2 1 2 2 2 1 3 12 8 6 13 9 9 38 9 23 49 35 15 9 8 1 3 4 4 9 10 16 5 2 2 3 1 0 4 7 3 0 65 89 9 6 0 4 29 14 4 2 3 4 6 29 44 14 9 39 29 3 1 2 3 5 77 21 0 1 3 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 6 8 4 6 5 3 3 2 3 5 13 25 19 13 19 18 19 6 3 2 3 2 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 d 1H J 19 | 81 81 dd 1H J 19 83 | 71 70 d 1H J 82 | 45 44 t 2H J 58 | 43 42 t 2H J 73 | 28 27 tt 2H J 42 58 | 19 18 t 3H J 41 | 18 17 p 2H J 71 | 16 15 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1CC2OCCOC2C1
ir: 2 8 16 14 20 92 18 9 14 10 6 2 2 3 4 3 2 2 0 5 10 4 4 1 1 1 1 2 4 26 10 34 6 6 4 4 8 9 11 41 61 20 8 1 2 5 2 3 7 4 1 1 5 4 2 1 5 2 1 1 3 6 7 4 9 3 3 19 4 7 3 8 5 5 7 1 1 4 6 5 6 2 0 0 1 2 0 1 9 10 8 4 9 2 4 1 5 7 3 3 3 4 7 4 12 23 2 2 2 2 3 6 6 24 13 2 3 3 0 4 11 3 21 10 7 7 2 2 3 2 0 2 9 83 14 32 11 5 4 2 1 7 17 28 9 5 4 2 2 2 64 33 5 2 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 7 7 11 8 5 3 2 5 4 2 3 22 15 28 100 44 6 8 2 2 2 2 2 2 1 1 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 1 0 0 0 1; 1HNMR: 74 73 d 4H J 43 | 73 73 m 1H | 52 51 s 2H | 43 42 p 2H J 12 | 39 38 m 4H | 38 37 m 2H | 37 36 dt 2H J 11 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Oc2nc(-c3ccco3)nn3c(C)nc(C)c23)cc(OC)c1OC
ir: 1 2 3 1 1 1 1 1 1 1 1 1 2 1 2 5 2 4 2 4 2 4 4 2 2 1 2 2 2 3 2 1 1 1 1 0 1 2 2 1 1 2 4 4 1 4 3 6 69 34 28 9 4 2 3 4 5 7 11 1 3 8 6 8 9 6 15 68 29 22 7 2 8 10 6 5 4 4 5 11 7 3 5 8 5 4 3 3 2 10 6 17 12 2 3 7 3 4 1 12 3 5 6 8 5 3 0 3 4 4 2 3 5 4 4 5 8 11 15 8 10 4 8 5 19 5 10 12 10 42 27 7 1 5 4 4 1 2 5 6 3 6 4 3 2 6 9 2 1 2 3 4 5 18 33 10 7 1 2 47 9 9 9 3 3 47 1 2 1 0 1 2 1 0 1 3 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 10 8 6 1 5 4 7 5 6 6 6 11 16 48 49 29 53 100 73 26 7 4 4 4 3 3 2 3 1 1 2 2 1 0 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 t 1H J 16 | 73 73 dd 1H J 18 38 | 67 67 dd 1H J 16 38 | 64 64 s 2H | 39 38 d 10H J 86 | 29 28 s 3H | 27 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(CC=O)cc(F)cc1-c1cnc(-c2ccc(OC(C)C)c(Cl)c2)s1
ir: 5 4 13 13 16 8 8 9 9 9 17 6 3 6 8 8 3 5 5 3 4 5 4 6 6 4 5 4 1 2 2 2 2 13 9 3 4 7 4 13 14 21 18 18 29 14 9 3 3 3 3 3 5 14 46 94 10 6 6 9 8 11 6 10 6 11 34 45 46 63 19 6 5 6 7 5 8 11 5 5 5 12 13 15 7 6 8 7 9 6 2 9 9 5 1 8 7 20 5 8 9 9 16 20 20 7 7 8 10 5 3 3 5 3 3 4 1 5 3 5 3 11 3 7 4 9 11 10 14 18 5 2 3 3 2 2 3 33 2 7 26 1 2 3 3 3 6 14 13 23 20 10 6 4 1 5 12 1 1 4 4 20 3 4 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 3 1 2 5 5 4 3 6 4 1 3 4 4 5 4 5 6 14 12 23 16 100 90 50 9 4 4 4 3 1 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 98 97 t 1H J 63 | 80 80 s 1H | 78 77 dd 1H J 22 86 | 77 77 d 1H J 22 | 72 72 dd 1H J 22 121 | 72 71 ddt 1H J 9 19 121 | 71 70 d 1H J 85 | 47 45 hept 1H J 55 | 39 39 s 2H | 38 38 dd 2H J 9 63 | 14 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)O)cc1OCCc1cccc(C)c1
ir: 2 1 2 4 4 2 2 2 4 2 2 4 4 2 10 13 6 5 5 7 6 100 88 21 8 2 5 5 12 9 10 6 6 1 1 3 3 0 1 3 2 1 3 2 3 6 11 9 6 1 1 2 1 1 6 8 3 0 1 2 1 0 2 11 2 3 7 8 4 3 17 4 3 3 2 1 13 31 7 8 12 2 2 2 1 2 5 8 4 2 3 5 3 2 2 2 4 3 9 4 1 1 3 1 1 1 1 1 1 1 2 2 2 3 9 15 1 4 3 1 1 2 3 3 2 5 4 8 7 2 2 1 0 1 1 1 0 2 3 5 12 29 20 11 20 4 2 0 1 2 3 5 22 3 3 10 2 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 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 1 1 1 1 1 2 1 1 2 2 1 1 7 12 7 25 30 18 11 3 6 2 0 2 5 7 16 5 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 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 dd 1H J 20 84 | 76 75 d 1H J 20 | 72 71 t 1H J 77 | 71 70 ddq 1H J 9 20 75 | 70 70 dtd 1H J 7 14 79 | 70 69 m 2H | 42 42 t 2H J 58 | 39 38 s 3H | 29 28 tt 2H J 9 59 | 23 23 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2ccc(N)cc2)no1
ir: 4 9 13 6 3 7 6 8 5 7 4 4 4 2 2 2 4 5 2 2 2 2 1 4 3 2 2 2 2 1 2 1 1 7 10 2 1 2 2 1 1 1 1 2 2 2 1 1 2 2 1 1 5 4 55 33 9 1 2 3 1 1 2 2 1 1 1 1 2 2 3 5 4 5 5 8 3 4 4 3 2 1 1 1 2 2 2 2 3 3 2 1 2 1 1 2 3 5 2 1 1 1 1 1 1 2 15 2 1 1 1 1 2 3 2 2 1 2 2 2 2 1 1 2 3 2 1 2 2 2 17 3 1 1 2 2 1 2 15 11 2 1 1 1 1 1 1 5 3 18 4 9 6 8 13 22 9 4 5 12 3 3 2 0 8 20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 2 9 14 9 15 6 3 3 2 2 1 1 1 1 1 1 1 1 2 2 28 21 2 2 2 1 1 1 2 2 4 4 100 27 5 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 m 2H | 74 74 s 1H | 69 68 m 2H | 45 44 s 2H | 44 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@H]2CN3CCCc4cc(N)cc(c43)[C@H]2C1
ir: 18 9 4 15 42 29 17 8 9 17 31 23 8 5 1 7 6 2 5 6 25 5 1 3 4 2 2 5 5 2 4 5 3 1 2 3 3 6 11 6 5 5 3 4 3 2 2 4 3 1 1 3 2 1 2 5 2 1 3 3 2 3 9 6 5 5 39 5 5 23 13 14 9 4 3 4 2 7 7 3 29 40 3 3 2 2 2 2 2 4 4 3 6 3 4 17 21 2 3 4 4 6 10 22 14 47 30 3 2 2 5 8 10 8 21 34 7 8 10 6 2 8 7 4 4 10 10 12 4 9 13 8 18 42 25 4 3 3 2 1 2 2 29 29 1 4 4 3 2 15 100 49 15 11 23 44 93 37 4 3 2 0 2 80 55 5 3 0 1 3 2 0 1 3 2 0 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 4 3 3 5 4 4 4 5 5 4 3 4 8 10 10 5 38 47 15 17 48 4 2 5 3 2 1 2 2 1 1 2 2 2 1 2 2 4 75 50 14 2 0 2 2 1 1 2 2 3 27 26 12 1 3 3 2 1 1 2 2 1 1 3 2 1 1 2 1 1 1 2 1 1 2 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 65 64 dt 1H J 9 19 | 64 64 d 1H J 23 | 42 42 s 2H | 40 40 dt 1H J 17 114 | 38 37 m 3H | 36 35 ddd 2H J 46 54 111 | 34 33 m 2H | 31 30 m 1H | 28 27 m 2H | 24 23 m 1H | 20 19 tt 2H J 54 73 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(C(=O)OC)cc(C(F)(F)F)c1=O
ir: 10 16 31 18 8 20 36 13 4 18 30 8 2 10 15 9 6 11 13 6 4 11 14 7 5 14 34 80 30 20 24 5 5 13 11 4 6 13 11 4 6 13 11 6 9 34 100 32 21 25 15 0 10 22 15 2 10 17 9 4 10 17 8 3 18 21 8 2 9 14 7 2 10 16 21 12 12 14 5 4 12 23 16 4 12 13 4 5 12 11 4 6 20 25 9 11 37 36 25 27 24 13 2 8 16 11 4 8 16 13 7 14 35 19 24 11 17 13 2 45 27 45 15 15 21 13 8 19 31 21 23 41 24 21 4 15 25 25 20 16 13 5 4 14 14 5 98 92 30 9 19 40 37 11 11 13 10 14 16 20 12 6 7 13 11 10 11 14 8 2 8 14 8 2 8 13 7 2 8 13 7 3 9 13 6 3 9 12 6 4 10 11 5 4 10 11 5 4 10 11 5 5 11 10 4 5 11 10 4 6 12 9 3 6 12 9 3 7 12 8 3 7 13 8 2 7 13 8 2 8 13 7 2 8 13 7 3 9 12 7 3 9 12 6 4 9 11 6 4 10 11 5 5 10 11 5 5 10 10 5 5 11 10 4 6 11 10 5 7 13 13 5 7 13 9 5 9 14 9 6 9 14 13 13 25 22 14 6 16 38 36 25 15 14 9 5 9 12 7 4 10 11 6 4 9 11 6 5 10 11 6 5 10 10 5 5 10 10 5 6 11 9 4 6 11 9 4 6 11 9 4 7 12 8 4 7 12 8 3 7 12 8 3 8 12 7 3 8 12 7 4 8 11 7 4 9 11 6 4 9 11 6 5 9 10 6 5 9 10 6 5 10 10 5 6 10 9 5 6 10 9 5 6 11 9 4 7 11 8 4 7 11 8 4 7 11 8 4 7 12; 1HNMR: 89 89 q 1H J 10 | 81 81 p 1H J 13 | 40 39 qd 2H J 9 82 | 38 37 s 2H | 13 12 t 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNC2CCC(CO)C2)c(OC)c1
ir: 2 2 2 2 3 2 2 1 3 2 2 2 2 2 3 1 2 2 2 2 1 2 3 1 4 1 1 2 1 1 1 1 3 1 2 2 1 2 5 3 5 4 7 6 4 9 8 12 8 4 4 13 21 14 15 8 4 3 7 19 6 9 8 10 6 5 11 9 11 3 6 8 9 5 8 9 8 6 4 3 1 1 7 3 16 7 46 18 37 13 6 9 7 10 5 4 3 2 6 8 3 6 15 15 13 12 11 12 10 5 2 6 7 9 14 9 7 3 3 3 4 2 3 3 2 5 1 3 1 3 3 7 5 9 13 4 1 1 1 1 1 1 1 1 3 3 1 1 1 6 13 5 3 5 7 2 1 1 1 1 1 4 10 3 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 2 2 3 5 8 2 4 5 6 9 9 4 9 14 11 6 14 17 23 9 8 5 10 31 50 81 37 30 15 11 10 2 4 3 6 8 61 100 16 6 3 9 2 2 3 3 6 3 4 3 2 1 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 72 71 dt 1H J 9 86 | 66 65 dd 1H J 23 85 | 65 64 d 1H J 23 | 41 40 ddd 1H J 8 52 154 | 39 38 ddd 1H J 9 53 154 | 38 38 d 6H J 31 | 38 37 ddd 1H J 40 55 114 | 35 34 ddd 1H J 40 54 114 | 33 32 t 1H J 54 | 30 29 dtt 1H J 37 46 64 | 28 27 dt 1H J 52 64 | 20 19 m 1H | 18 17 m 3H | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)COCCOCCCl
ir: 12 7 1 8 9 6 30 4 8 4 2 5 55 8 7 37 8 5 1 5 6 2 1 5 6 2 2 5 5 2 2 6 6 2 11 23 51 4 6 11 5 1 3 7 5 1 4 8 9 6 4 8 9 13 18 9 6 1 6 10 11 23 57 25 29 12 17 15 79 13 29 44 9 6 6 7 2 1 6 7 2 2 6 6 2 2 10 8 1 88 32 9 5 9 19 6 3 4 8 7 9 45 43 27 30 100 30 16 3 5 8 5 2 7 9 12 4 9 10 17 22 8 18 12 8 11 12 9 9 18 8 3 1 5 6 2 2 5 6 2 2 5 6 2 3 6 5 1 2 6 5 1 2 6 5 1 3 6 4 1 3 6 4 0 3 6 4 0 3 7 3 0 4 7 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 6 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 4 0 3 7 3 0 4 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 3 3 6 5 2 3 6 4 2 4 7 6 7 12 30 14 4 7 9 6 4 4 71 32 11 6 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 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 5 4 1 3 6 3 1; 1HNMR: 40 39 q 2H J 130 | 38 37 t 2H J 21 | 37 37 m 2H | 37 36 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cccc3c(Br)ccc1c23
ir: 1 1 10 9 1 1 0 2 10 13 8 2 1 1 0 0 2 0 0 1 3 5 1 1 1 1 1 1 0 4 1 1 2 2 5 7 1 0 0 1 0 0 0 1 4 64 18 2 1 1 1 1 3 2 10 21 4 4 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 1 1 0 0 1 1 0 0 1 2 0 2 4 1 0 1 1 1 0 8 3 1 2 2 2 40 3 1 1 0 0 1 1 3 14 1 1 0 1 2 27 23 2 1 6 5 20 3 1 1 1 1 0 0 0 0 1 3 0 1 1 1 3 9 6 1 11 5 2 1 1 1 3 16 1 1 4 7 24 5 4 12 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 0 1 2 2 4 4 5 22 100 17 19 12 5 1 1 6 4 1 2 1 2 1 1 1 1 1 3 4 1 2 10 70 22 25 19 6 3 1 1 2 1 1 1 1 1 0 0 2 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 99 99 s 1H | 80 79 d 1H J 83 | 79 79 m 2H | 76 75 dd 1H J 12 80 | 75 74 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
ir: 8 11 9 15 8 4 1 2 1 4 9 4 7 2 6 3 8 6 4 2 3 9 3 5 26 11 3 2 7 2 11 10 6 3 2 1 8 7 2 1 0 1 1 1 2 3 6 3 0 2 2 2 3 2 15 12 5 8 30 11 4 1 3 4 3 6 23 40 12 5 2 1 3 4 2 2 2 1 3 2 1 1 1 0 1 2 5 17 27 24 3 7 11 15 6 11 12 12 80 100 6 7 4 4 4 7 4 2 4 4 14 4 7 5 2 2 5 2 3 4 11 6 15 16 9 7 7 3 2 4 3 7 3 6 2 5 3 14 5 4 2 2 1 2 7 4 7 9 23 13 3 1 5 5 2 2 1 1 1 1 1 2 6 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 2 2 2 2 3 2 5 3 3 5 3 3 4 5 10 16 15 29 21 14 2 3 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 73 d 1H J 85 | 68 67 m 2H | 50 50 s 2H | 36 35 m 4H | 33 33 m 4H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccc(C(=O)NCc3cccnc3)cc2)nc1CS(=O)(=O)c1ccc(Cl)cc1
ir: 17 13 20 21 18 18 4 3 4 2 6 7 10 6 8 21 29 6 4 3 2 4 2 1 3 3 3 12 8 4 10 7 22 16 20 10 6 2 1 6 8 3 7 9 5 7 14 10 8 3 2 3 3 9 33 13 6 3 4 3 4 8 11 15 37 12 8 1 6 13 6 2 1 2 2 2 3 2 3 23 2 3 14 65 6 8 4 20 2 4 9 9 12 3 2 2 0 5 7 7 2 11 9 2 2 2 2 2 4 3 6 9 9 12 2 3 3 4 7 11 8 12 35 100 18 4 15 16 3 4 2 2 1 2 2 2 54 20 4 13 10 7 9 34 8 36 32 9 7 15 4 5 13 3 8 6 1 3 6 6 1 2 1 1 1 1 1 1 3 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 3 0 3 5 5 4 2 2 3 1 3 3 4 36 7 48 26 47 41 21 6 3 3 3 2 2 2 1 1 1 1 0 2 1 1 3 2 2 2 8 33 22 6 5 2 1 1 1 1 0 1 1 1 0 0 1 0 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 0 0 0 1 0 0 0 1 0 0 1 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; 1HNMR: 87 86 dq 1H J 11 22 | 85 84 ddd 1H J 13 20 42 | 82 82 t 1H J 66 | 81 81 m 2H | 79 79 m 2H | 78 78 m 2H | 78 77 dtt 1H J 9 20 79 | 76 76 m 2H | 73 72 dd 1H J 43 78 | 46 45 m 4H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccccc2)n(-c2ccccc2Cl)c(-c2ccccc2)cc1=S
ir: 0 9 17 8 1 10 17 8 1 10 16 8 4 14 16 7 2 11 15 6 3 12 15 5 4 13 22 11 6 15 14 15 15 21 18 4 12 19 16 28 30 27 39 31 8 16 11 5 17 21 10 2 8 16 9 1 9 17 9 1 9 16 8 1 13 23 14 12 14 28 7 3 12 19 11 8 13 17 7 4 13 15 6 6 13 13 5 12 22 17 7 5 13 11 3 6 15 14 4 7 15 10 3 7 15 11 2 8 15 9 2 8 16 9 1 9 17 8 2 11 16 8 2 11 15 8 5 12 15 7 4 11 16 10 15 39 35 22 6 23 22 13 31 26 18 12 10 33 19 7 9 18 13 6 8 17 12 5 7 16 11 6 17 22 10 3 8 15 9 2 9 15 8 2 9 15 8 2 10 14 7 3 10 14 7 3 10 13 7 4 11 13 6 4 11 12 6 5 12 12 5 6 12 11 5 6 13 11 4 6 13 10 4 7 13 10 3 7 14 9 3 8 14 9 3 8 15 9 2 9 15 8 3 9 14 8 3 10 14 7 4 10 13 7 4 10 13 6 4 11 12 6 5 11 12 6 6 12 11 5 6 12 11 5 6 12 11 5 7 13 11 5 7 13 10 5 9 14 10 4 10 14 15 6 16 37 52 66 100 29 17 10 13 19 9 4 10 14 8 4 10 13 7 5 10 12 7 5 11 12 6 6 11 11 6 6 11 11 5 6 12 10 5 7 12 10 5 7 12 10 4 7 13 9 4 8 13 9 4 8 13 9 3 9 13 8 4 9 13 8 4 9 13 7 4 10 12 7 5 10 12 7 5 10 11 6 6 11 11 6 6 11 11 6 6 11 10 6 7 12 10 5 7 12 10 5 7 12 9 5 8 12 9 4 8 13 9 4 8 13; 1HNMR: 77 76 m 2H | 76 76 m 2H | 75 74 m 4H | 74 73 m 6H | 70 70 m 1H | 22 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1ccc(C=O)c(OCC=C(C)C)c1
ir: 11 7 0 5 9 7 16 10 12 5 5 14 13 10 5 19 30 12 12 9 13 6 6 8 9 7 10 8 7 2 2 23 14 3 6 13 6 3 3 6 5 1 4 8 7 9 9 8 5 2 4 6 10 85 100 20 8 0 8 10 7 6 14 17 9 6 17 36 35 69 32 7 6 8 14 18 26 22 8 6 5 6 8 9 13 24 10 12 29 7 10 9 5 6 9 8 13 31 16 8 6 12 17 29 9 6 11 10 24 16 9 6 3 10 12 22 4 22 15 27 4 9 9 7 7 7 9 6 4 10 9 5 7 8 13 6 7 11 12 5 2 7 6 2 2 5 5 2 4 9 15 74 14 27 16 11 29 91 13 9 11 12 12 27 60 9 10 6 5 5 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 3 1 3 6 3 1 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 3 3 5 4 2 3 5 4 2 3 6 5 3 8 9 5 2 4 6 7 2 5 8 7 6 13 14 34 31 63 95 38 23 11 10 4 3 6 5 3 3 5 6 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2; 1HNMR: 78 77 d 1H J 81 | 67 67 dd 1H J 21 81 | 65 65 d 1H J 21 | 53 52 dtq 1H J 17 34 49 | 46 45 ddq 2H J 11 20 50 | 36 35 q 4H J 71 | 18 17 dh 3H J 12 24 | 17 17 hept 3H J 12 | 12 12 t 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(Oc3ccc(N)nc3)ccnc2c1
ir: 6 6 3 12 5 10 8 5 2 3 7 4 5 5 5 9 13 2 5 5 3 3 4 1 2 10 11 4 2 2 4 5 5 10 13 8 3 6 8 6 2 2 3 2 2 3 2 4 5 21 10 2 4 14 13 3 6 9 2 6 4 1 2 2 4 4 3 5 10 10 6 3 1 6 6 3 2 2 3 1 2 2 2 1 1 1 1 2 3 3 4 2 2 3 9 6 4 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 3 1 1 2 3 1 2 2 4 2 2 2 2 1 1 1 1 5 5 1 3 71 3 2 3 2 1 2 6 5 7 7 7 13 11 27 18 25 16 3 13 5 3 100 7 4 3 1 2 18 5 2 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 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 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 2 3 1 4 5 2 17 82 31 9 4 1 2 3 1 0 1 1 1 0 1 1 1 1 4 9 15 4 1 2 1 0 2 1 2 1 4 25 24 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 d 1H J 49 | 83 83 d 1H J 90 | 75 75 d 1H J 18 | 72 71 d 1H J 23 | 70 70 dd 1H J 20 82 | 69 69 m 2H | 67 67 d 1H J 82 | 54 54 s 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)OC)OCO3
ir: 7 13 7 8 8 5 10 10 3 5 6 6 8 6 4 7 4 3 2 2 1 3 4 4 3 5 6 16 4 5 5 1 0 3 2 1 6 2 5 0 2 3 3 0 5 5 3 0 2 3 2 8 32 11 68 25 3 3 3 2 8 5 12 5 4 82 3 36 100 27 2 2 6 2 1 5 8 3 2 1 2 4 57 0 3 4 4 33 12 5 16 2 5 7 1 1 2 1 1 1 2 2 0 2 29 1 2 1 2 4 2 4 6 29 8 29 6 3 11 11 41 11 9 4 3 7 4 9 5 1 38 6 4 2 3 6 8 2 22 7 10 8 10 47 55 26 47 6 4 27 14 11 2 2 2 3 1 0 10 1 2 2 7 2 1 0 1 13 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 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 3 2 1 1 3 2 1 1 3 1 0 3 7 4 3 11 22 15 98 43 19 10 6 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 0 1 1 1 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; 1HNMR: 82 81 d 1H J 22 | 76 75 dd 1H J 21 83 | 72 71 m 2H | 70 69 d 1H J 84 | 69 69 d 1H J 17 | 61 60 s 2H | 60 60 s 2H | 39 39 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.
C#CCCCCON1C(=O)c2ccccc2C1=O
ir: 3 2 1 4 3 6 7 4 2 2 1 2 5 2 4 2 4 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 4 12 7 11 12 60 100 18 9 2 3 3 2 1 2 4 3 0 1 3 2 0 2 3 2 0 5 5 5 3 13 3 3 3 7 6 4 2 2 4 3 2 3 5 9 12 6 3 3 1 2 3 1 1 2 2 1 1 6 6 2 4 4 3 2 2 3 6 1 1 3 2 2 2 3 5 4 6 8 3 2 2 2 2 4 3 5 4 4 2 3 4 3 5 9 5 6 7 49 11 62 38 10 2 0 5 27 3 0 2 2 0 1 2 2 0 1 3 2 1 2 4 24 13 14 3 2 10 5 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 4 3 1 3 3 1 2 5 6 14 6 19 10 6 3 3 2 1 2 2 1 1 2 2 2 1 1 3 4 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 78 77 m 4H | 40 40 t 2H J 37 | 25 24 td 2H J 25 58 | 20 20 t 1H J 25 | 18 17 td 2H J 35 70 | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1C
ir: 2 4 2 1 2 4 0 3 3 1 1 1 2 1 1 1 2 2 0 5 4 8 8 14 4 5 3 12 21 7 20 6 30 8 5 6 12 14 8 4 2 6 18 42 14 25 10 8 3 2 1 2 3 5 5 10 3 3 1 1 3 23 2 2 3 4 6 6 3 7 3 4 7 8 1 3 1 1 0 0 1 1 0 1 2 3 3 3 1 1 2 2 2 1 1 2 0 7 5 8 1 4 17 4 2 1 4 1 2 2 3 4 1 1 0 1 2 2 2 3 4 1 1 8 1 2 4 0 5 1 1 1 2 6 10 25 23 4 2 1 4 1 1 24 6 4 14 8 3 4 12 8 4 4 15 7 3 3 48 5 2 2 18 100 5 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 2 5 2 4 42 30 4 4 1 1 1 1 1 1 1 1 1 2 1 2 1 7 2 5 9 9 10 13 39 56 39 19 7 4 2 0 2 2 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 s 1H | 80 80 d 1H J 9 | 79 78 dd 1H J 21 77 | 76 76 s 1H | 74 73 m 2H | 73 72 dd 1H J 20 74 | 71 71 d 1H J 86 | 68 67 dd 1H J 21 87 | 67 67 q 1H J 51 | 65 64 d 1H J 21 | 62 61 s 1H | 39 39 s 2H | 39 38 m 4H | 34 34 m 4H | 29 29 d 3H J 51 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(=O)Nc1cc(NC(=O)COC)cc(C(=O)O)c1
ir: 1 2 2 3 1 1 2 1 1 1 2 3 8 4 4 6 7 10 6 15 25 19 6 5 1 4 3 2 4 3 11 6 4 10 11 13 9 14 8 2 3 4 2 1 1 2 2 1 2 2 2 1 2 3 4 9 7 7 4 3 2 2 1 1 3 7 6 5 11 9 6 2 2 2 2 10 9 13 11 8 5 4 2 3 4 4 1 1 3 1 1 1 2 1 1 1 2 2 2 2 5 14 7 1 2 2 4 1 2 1 0 1 2 1 1 2 2 2 10 2 3 1 1 3 2 1 1 2 3 2 1 1 2 1 1 1 1 1 1 2 7 10 19 20 5 10 7 24 11 3 2 2 2 3 3 2 2 0 1 2 1 0 2 11 3 1 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 3 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 2 3 2 0 1 2 2 1 1 3 2 2 8 4 2 4 11 7 2 1 2 3 1 1 43 100 45 20 1 0 2 2 1 1 2 2 4 7 4 8 25 5 6 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 2H | 81 80 d 2H J 20 | 74 73 t 1H J 22 | 42 42 s 4H | 34 34 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCn1c(N2CC3CN(C(=O)OC(C)(C)C)CC3C2)nc2ccc(N)cc21
ir: 33 35 15 48 30 16 16 17 3 12 38 36 11 5 6 8 6 6 4 4 5 2 3 2 2 2 1 2 2 3 2 3 4 2 1 4 4 1 6 5 2 1 3 2 1 3 4 5 4 2 2 2 3 4 20 36 5 4 1 3 3 4 7 6 3 3 20 12 5 4 3 2 4 1 4 3 3 2 4 36 11 3 6 4 1 3 4 3 0 5 6 7 11 7 6 10 6 4 4 5 4 3 5 6 37 13 4 10 3 2 3 3 3 12 6 7 4 6 7 7 12 3 9 3 8 4 4 5 4 11 8 4 8 25 3 4 1 2 6 19 58 16 7 9 1 2 2 1 16 8 15 68 6 9 53 23 100 29 12 4 2 0 1 3 77 5 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 1 1 0 0 1 1 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 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 3 2 6 2 4 2 2 2 2 2 3 6 3 8 4 30 46 22 16 17 6 3 1 2 1 1 1 1 1 1 1 1 1 1 2 2 4 55 8 1 0 1 1 2 1 1 1 4 92 51 5 1 2 1 2 2 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 d 1H J 78 | 68 68 dd 1H J 21 76 | 67 67 d 1H J 21 | 57 57 s 2H | 53 52 tp 1H J 16 61 | 49 48 dp 2H J 10 59 | 40 39 m 2H | 38 37 m 4H | 35 34 m 2H | 26 25 dq 2H J 12 24 | 18 17 ddt 7H J 12 20 185 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCc1ccc2cnn(C3CCCCO3)c2c1
ir: 6 25 10 6 6 5 1 4 19 13 15 26 27 88 27 55 27 18 9 8 7 6 6 3 2 3 11 7 5 7 11 12 10 10 13 10 8 7 34 42 4 16 13 2 7 10 9 5 11 12 11 19 5 24 55 59 8 9 4 9 13 8 2 0 3 5 10 11 17 76 11 4 3 4 6 9 18 15 57 31 24 15 4 4 6 26 10 8 6 6 12 13 4 6 8 22 33 49 36 11 12 7 5 22 73 30 23 19 24 22 15 35 51 32 14 16 12 12 4 13 20 17 23 27 8 4 2 4 5 3 7 19 24 12 7 6 4 4 2 5 6 27 21 15 6 4 6 4 3 2 2 4 4 23 17 14 3 2 2 2 2 1 2 44 11 1 2 3 2 0 1 3 1 0 1 3 1 0 2 2 1 0 1 2 1 0 1 2 1 1 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 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 2 3 3 4 5 14 10 21 22 15 10 4 16 11 19 51 57 24 100 68 75 76 33 6 5 5 2 1 3 3 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 80 d 1H J 18 | 79 79 dd 1H J 20 79 | 75 74 m 1H | 73 73 dd 1H J 20 79 | 60 59 t 1H J 25 | 45 45 m 2H | 39 38 ddd 1H J 32 50 104 | 38 37 ddd 1H J 32 49 104 | 24 24 dddd 1H J 25 55 81 144 | 21 19 m 2H | 18 17 m 1H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ON=C(Cl)C1CCOC1
ir: 5 53 39 13 19 5 3 12 16 12 12 9 39 76 71 18 8 14 2 8 12 4 2 2 4 2 1 2 2 1 2 3 3 3 5 4 4 2 2 2 2 0 2 2 2 2 4 5 6 8 5 6 2 0 1 3 1 0 6 4 5 4 3 3 10 2 5 3 4 3 5 7 13 100 71 20 2 2 2 1 1 1 1 2 3 1 1 1 53 16 6 10 10 8 16 72 33 16 38 19 16 44 16 9 10 4 6 7 9 10 8 5 2 5 4 3 1 3 5 3 3 3 5 3 1 4 5 6 6 3 3 1 0 2 2 1 1 2 2 1 2 3 3 13 10 4 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 0 1 1 1 0 1 2 1 1 1 2 2 1 2 3 3 2 4 7 7 3 3 8 17 1 1 3 1 0 1 2 1 0 3 56 12 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 41 40 dd 1H J 23 105 | 39 37 m 3H | 34 33 tt 1H J 21 42 | 25 24 dtd 1H J 26 43 130 | 22 21 dtd 1H J 27 44 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(Cl)cc1C(=O)c1cccc(C2OCCO2)c1
ir: 3 4 4 3 3 3 4 6 5 6 8 10 17 6 6 5 5 10 9 10 6 6 9 7 8 5 7 9 9 7 6 3 4 9 12 4 3 3 5 6 8 25 10 6 8 7 5 8 9 5 4 4 4 4 24 5 5 5 4 9 4 4 4 4 3 4 3 5 6 9 4 3 3 5 11 7 6 4 11 6 5 4 3 3 3 3 3 12 6 5 3 3 4 3 2 5 4 3 3 4 5 10 3 3 3 3 3 3 4 4 3 3 3 3 4 4 8 8 4 4 5 5 6 4 6 4 3 3 3 4 3 3 3 2 3 3 3 3 9 15 3 3 10 5 9 12 5 3 4 4 10 5 5 32 9 12 32 8 4 4 4 4 27 9 3 2 3 3 3 2 2 3 2 2 3 3 2 2 2 3 3 2 3 3 2 2 3 3 3 2 2 2 2 2 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 2 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 3 3 2 2 3 3 3 2 4 4 4 3 3 4 3 3 3 7 7 5 16 41 11 6 8 5 3 3 3 3 2 2 3 4 2 1 4 6 1 87 100 0 4 4 2 2 4 5 5 8 9 47 41 12 5 5 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 79 79 d 1H J 24 | 78 78 td 1H J 8 22 | 78 77 ddd 1H J 12 21 77 | 75 75 ddt 1H J 9 21 80 | 75 74 t 1H J 78 | 72 71 dd 1H J 24 71 | 66 65 d 1H J 71 | 65 65 s 2H | 58 58 d 1H J 10 | 41 40 m 2H | 40 39 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCSC(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O
ir: 3 8 2 3 4 2 2 3 3 2 2 3 2 4 8 5 3 3 3 2 2 2 5 2 4 10 7 4 3 2 2 3 7 4 2 3 6 7 2 4 6 5 6 3 2 2 2 3 6 2 2 2 2 1 2 2 5 3 2 2 3 2 2 4 4 16 4 2 3 8 3 4 2 3 3 2 4 5 5 10 8 11 13 3 3 3 2 2 2 6 8 4 5 5 6 4 1 3 3 3 4 11 1 2 2 3 3 2 7 2 1 2 2 2 3 5 2 8 10 6 6 4 5 6 5 4 6 2 2 3 5 3 4 4 4 5 4 3 2 2 1 6 13 2 1 2 4 23 7 9 2 1 2 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 2 2 2 1 2 2 2 1 3 3 2 2 3 3 2 2 2 3 3 1 4 13 14 5 7 15 25 6 2 2 1 0 5 100 21 5 2 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 2 2 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; 1HNMR: 70 70 t 2H J 9 | 47 47 s 1H | 42 41 t 1H J 59 | 37 36 m 2H | 32 31 ddt 1H J 9 59 123 | 31 30 ddd 1H J 46 68 126 | 30 28 m 2H | 29 29 s 4H | 14 14 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CO)(CCOCc1ccccc1)C(=O)OCC
ir: 7 4 2 8 5 5 16 8 21 12 9 2 0 1 1 0 0 2 1 0 0 2 1 0 1 0 0 1 0 1 4 15 1 1 1 1 0 1 1 7 12 4 2 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 0 0 0 1 1 2 2 1 0 3 3 1 1 1 1 3 4 1 1 5 2 2 1 3 2 1 1 1 2 3 7 4 2 3 26 33 4 3 2 6 4 1 1 1 1 0 1 1 0 1 2 3 5 2 0 1 1 2 3 3 3 7 1 2 2 1 1 2 1 1 3 2 1 1 0 1 4 5 3 1 0 1 2 4 3 3 2 17 8 4 1 1 1 1 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 2 2 2 1 0 2 2 3 4 4 5 14 16 12 3 3 4 6 24 100 7 6 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 45 44 t 2H J 8 | 42 41 m 4H | 40 39 d 2H J 64 | 37 36 t 2H J 63 | 29 29 t 1H J 64 | 23 22 t 2H J 63 | 13 12 t 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC(COCc1ccccc1)(COCc1ccccc1)COCc1ccccc1
ir: 4 5 4 3 6 8 10 11 0 5 6 5 1 1 2 1 1 1 2 2 0 2 2 1 2 1 1 1 2 0 22 13 4 2 2 1 1 5 15 31 31 3 6 6 7 0 2 1 1 0 1 1 2 1 1 2 1 1 1 1 1 0 2 11 12 6 4 11 7 2 2 2 2 4 9 1 2 2 7 2 1 1 1 1 2 1 38 5 12 5 14 9 12 19 19 6 3 11 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 5 2 2 3 1 2 1 1 2 1 1 1 2 2 10 100 7 0 1 1 2 2 34 16 3 2 6 1 1 1 1 11 3 2 1 0 1 1 0 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 2 1 2 1 1 1 1 2 2 3 14 9 12 76 28 4 2 2 6 72 43 3 1 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 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 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 73 73 m 10H | 73 73 dd 2H J 14 25 | 45 44 t 6H J 8 | 36 36 d 2H J 55 | 35 35 s 5H | 34 34 t 1H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2c(n1)C(c1ccccc1Cl)NCc1nncn1-2
ir: 2 2 7 2 3 3 3 1 3 3 9 4 6 6 5 2 5 4 2 7 3 3 4 5 5 8 3 3 4 4 6 10 26 14 12 12 28 30 57 7 13 69 57 16 13 47 11 5 5 7 26 26 30 55 25 10 4 1 4 15 16 2 2 2 2 6 32 2 2 4 2 1 2 3 5 3 9 1 2 2 2 1 12 6 1 4 33 3 20 5 20 15 3 8 12 3 2 1 6 2 2 3 2 2 2 3 3 3 2 8 12 20 44 98 39 18 18 39 17 13 8 6 4 10 6 9 11 17 44 8 4 4 1 8 10 50 87 59 5 3 10 9 16 2 3 3 9 9 21 2 25 42 9 3 2 1 2 4 3 1 5 3 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 3 2 5 5 6 5 11 20 93 100 28 9 9 2 6 2 2 1 1 3 3 2 1 3 3 3 3 15 57 15 12 1 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 88 s 1H | 81 80 d 1H J 79 | 75 75 ddd 1H J 7 15 78 | 74 73 m 3H | 72 71 td 1H J 15 79 | 55 54 dd 1H J 7 73 | 46 45 dd 1H J 54 173 | 44 44 dd 1H J 55 174 | 39 38 dt 1H J 53 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(Cl)CC(C)(O)c1ccccc1
ir: 2 1 1 2 4 1 1 1 3 1 1 1 0 1 1 6 1 1 1 1 1 6 1 1 0 1 1 0 1 1 7 2 1 1 1 1 1 1 1 0 1 14 3 1 2 0 1 1 1 0 1 1 1 0 0 1 1 0 0 3 0 1 1 4 1 0 1 3 1 5 5 3 8 19 6 3 1 1 2 8 19 3 2 2 1 0 1 1 0 1 2 2 1 3 5 5 3 5 3 1 1 1 1 1 2 2 1 0 1 1 1 2 1 1 7 3 2 1 1 1 2 1 1 1 3 1 2 2 2 1 1 1 1 1 4 6 6 2 4 1 1 1 2 3 5 3 1 1 1 1 0 0 1 2 2 3 1 5 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 0 0 0 0 1 1 0 1 1 1 2 1 1 2 1 1 1 1 1 3 7 2 3 4 1 7 22 16 2 2 6 12 1 7 100 6 2 1 0 1 1 0 0 0 1 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 73 72 m 2H | 71 70 tt 1H J 14 64 | 54 53 q 1H J 13 | 52 51 q 1H J 14 | 34 33 dt 1H J 13 152 | 32 31 s 1H | 30 29 dt 1H J 13 152 | 16 16 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OCC(C)(O)c2ccccc2)cc1
ir: 38 54 89 19 10 16 19 6 21 61 11 22 16 16 18 11 4 4 1 6 5 2 8 6 23 7 2 6 4 3 16 45 4 2 2 3 5 1 3 15 41 100 21 15 18 12 7 4 4 5 2 2 18 55 3 1 7 3 2 1 3 4 6 8 22 35 16 7 8 29 32 7 7 9 7 2 3 4 6 2 12 94 62 22 63 17 5 9 38 7 3 5 1 47 31 8 9 3 4 9 4 3 3 4 8 13 6 3 3 5 3 5 7 3 3 1 2 1 8 7 4 2 2 6 17 6 3 4 5 8 4 4 3 5 7 15 11 6 3 2 1 3 2 7 10 20 18 23 9 8 3 2 9 5 1 1 0 0 0 1 7 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 2 0 1 2 2 1 1 2 1 1 3 16 17 5 70 100 55 23 5 1 7 6 7 72 41 7 2 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H | 75 74 m 2H | 74 73 m 2H | 73 72 m 2H | 71 70 m 1H | 45 44 d 1H J 130 | 42 42 d 1H J 128 | 33 33 s 1H | 24 24 d 3H J 10 | 16 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@H]1CC[C@@H](Nc2ncc(C#Cc3ccccc3)cn2)CC1
ir: 13 13 18 9 7 8 7 11 9 12 7 6 8 11 6 6 6 8 6 6 6 6 6 7 5 10 16 6 5 5 5 5 5 9 5 4 5 8 25 12 6 4 5 5 6 6 6 6 7 6 7 5 8 20 25 29 33 22 10 8 6 5 6 8 6 5 7 6 9 7 8 6 8 7 8 7 7 7 9 16 5 5 8 8 11 24 27 20 22 11 7 8 10 8 8 6 6 6 11 5 5 6 5 5 5 5 6 6 6 6 9 9 14 10 7 8 6 10 9 7 7 6 6 10 7 9 6 7 5 5 5 5 6 6 9 6 6 6 5 18 55 7 21 12 5 10 17 99 25 8 7 7 59 12 4 11 42 0 4 14 100 11 5 3 5 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 5 5 5 4 5 5 5 5 7 7 7 6 6 7 6 5 8 8 11 6 8 24 10 6 6 6 7 6 9 23 8 5 5 6 5 6 6 6 6 6 6 8 7 10 12 13 13 37 22 10 5 6 6 5 4 5 5 5 5 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 87 87 s 2H | 76 76 m 2H | 74 73 m 3H | 61 60 d 1H J 80 | 38 36 m 2H | 29 28 d 1H J 59 | 20 18 m 4H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(S(=O)(=O)c2ccccc2)c2ncc(-c3ccccc3)c(Cl)c12
ir: 8 6 4 6 8 5 7 7 12 11 5 6 22 45 100 16 20 41 32 9 9 3 3 10 11 4 3 7 10 15 21 50 43 24 2 9 8 11 6 9 39 26 94 23 6 3 5 9 9 1 5 11 4 1 4 8 5 0 4 8 4 4 26 42 34 6 8 12 22 12 18 16 4 22 32 14 8 13 18 8 3 2 7 10 41 16 17 8 3 3 6 10 8 8 7 6 3 5 14 44 5 7 11 15 57 22 6 5 2 5 7 13 2 4 8 4 4 8 7 7 9 16 9 7 5 7 11 11 2 6 8 5 10 9 41 39 15 17 7 4 8 13 20 68 7 12 18 9 4 8 30 7 10 9 11 6 30 6 8 4 5 19 5 2 4 6 4 2 4 7 4 1 4 7 4 2 4 7 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 2 5 5 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 1 4 7 4 1 4 7 4 1 4 6 4 2 4 6 4 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 5 2 4 7 6 2 6 13 15 31 22 78 33 40 38 29 11 4 5 8 6 4 5 6 4 3 5 7 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 4 2 4 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 86 86 s 1H | 78 78 m 2H | 77 76 ddt 1H J 15 71 88 | 76 76 m 2H | 75 74 m 4H | 74 73 m 1H | 73 72 s 1H | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C[C@H](c1cccc(O)c1)C1CC1
ir: 2 2 1 2 4 1 0 1 2 2 1 2 1 1 1 1 1 0 1 2 2 3 1 2 1 0 0 1 1 1 3 6 2 1 1 2 2 1 0 1 0 3 1 2 1 1 7 32 1 1 1 1 1 0 1 1 1 1 1 2 0 0 1 3 2 3 5 4 2 1 1 2 4 2 4 9 5 7 5 2 22 9 20 10 11 2 7 1 1 1 1 2 6 3 2 1 1 2 2 1 1 3 3 2 1 1 1 2 1 7 3 1 2 2 4 1 1 1 2 1 2 3 2 1 0 1 2 1 2 1 1 2 1 1 1 0 1 1 1 1 14 3 2 1 6 37 6 3 1 3 3 1 4 2 2 7 1 1 1 0 1 3 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 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 2 1 1 1 1 1 0 1 2 3 2 1 4 2 1 1 1 2 5 3 3 6 4 6 17 5 1 5 5 2 2 6 100 34 5 2 1 2 1 1 1 1 0 1 1 0 1 1 1 1 0 0 1 1 1 1 2 1 1 1 1 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 72 71 t 1H J 82 | 71 70 ddt 1H J 9 21 81 | 67 67 ddd 1H J 12 21 82 | 67 66 td 1H J 7 22 | 42 41 q 2H J 64 | 32 31 m 1H | 28 28 dd 1H J 65 168 | 26 26 dd 1H J 64 167 | 18 17 dp 1H J 58 88 | 13 12 m 5H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](Nc1nccc(-n2cnc3cc(-c4cccnc4)ccc32)n1)c1ccccc1
ir: 4 13 3 7 3 5 8 3 1 4 4 4 4 4 4 5 1 5 4 4 2 1 2 3 7 4 3 1 3 9 12 15 15 12 20 10 5 7 3 7 12 13 4 6 5 2 2 5 2 2 3 4 46 32 42 10 18 14 13 6 3 10 8 2 6 4 5 5 10 5 3 4 13 11 6 1 3 1 3 3 3 2 3 3 2 1 1 1 2 2 2 2 4 2 3 5 4 14 12 7 11 4 1 1 2 2 2 10 13 8 4 19 19 4 5 3 5 11 2 4 5 3 2 5 1 2 2 2 3 3 5 10 4 5 17 16 26 30 27 46 5 3 7 12 13 16 13 100 43 25 8 13 11 10 4 6 3 8 21 24 8 1 4 3 2 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 1 1 1 1 2 3 3 4 7 6 14 34 39 8 11 2 2 4 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 3 13 28 49 16 3 3 5 2 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 d 1H J 20 | 87 86 dd 1H J 17 48 | 86 86 s 1H | 85 84 d 1H J 77 | 84 84 d 1H J 44 | 82 82 d 1H J 22 | 80 79 dd 1H J 22 77 | 79 79 dt 1H J 19 77 | 74 73 dd 1H J 48 76 | 73 72 m 5H | 70 70 d 1H J 44 | 62 62 d 1H J 73 | 52 52 m 1H | 17 17 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CC[C@H](C)[C@H]1C(=O)O
ir: 2 2 4 2 4 3 2 3 7 4 8 14 18 3 14 12 14 24 15 14 11 60 73 99 25 46 32 14 24 27 27 5 6 5 5 3 4 5 4 2 2 9 7 4 4 5 5 6 30 24 27 9 6 6 5 6 3 3 2 1 4 4 3 4 3 5 2 5 15 22 4 1 3 3 5 10 12 25 44 21 12 17 23 12 10 11 30 21 15 15 11 9 6 10 7 2 6 9 21 7 5 14 23 8 9 6 6 6 24 8 3 3 4 9 9 4 6 3 9 7 6 4 2 2 2 1 1 5 7 2 13 10 9 34 6 3 2 7 7 2 5 18 13 28 12 27 37 5 3 2 6 4 13 2 2 7 14 66 15 5 12 35 4 3 1 1 2 11 21 3 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 2 2 2 3 2 4 5 6 12 7 9 47 48 6 4 3 2 5 3 4 8 100 46 8 4 4 1 1 2 2 1 4 5 4 30 39 34 18 14 4 4 2 1 2 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 86 s 1H | 86 86 d 1H J 37 | 81 80 q 1H J 7 | 73 73 ddd 1H J 15 38 86 | 72 72 m 2H | 72 71 t 1H J 88 | 40 39 dd 1H J 8 138 | 38 38 s 2H | 38 37 dd 1H J 8 138 | 32 31 dt 1H J 18 70 | 31 30 dddd 1H J 18 51 69 119 | 29 28 dddd 1H J 18 51 69 120 | 22 21 dqdd 1H J 18 35 69 100 | 19 19 dddd 1H J 31 51 70 121 | 17 16 ddtd 1H J 18 51 69 121 | 10 9 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(N2CCN(C(=O)c3cccs3)CC2)c2cccnc2n(Cc2ccccc2)c1=O
ir: 3 7 13 6 2 3 5 4 2 3 4 3 4 5 5 6 2 3 3 5 2 4 5 3 4 3 4 2 15 8 6 5 4 16 12 10 7 92 46 4 11 8 5 4 9 5 7 5 3 11 32 3 4 4 3 2 3 5 3 3 3 4 5 7 4 3 4 2 5 5 13 3 4 3 2 3 4 4 7 6 4 3 3 3 4 4 3 10 19 17 7 5 4 9 7 4 9 9 24 4 5 5 4 3 5 4 3 3 3 10 2 3 7 10 2 4 6 3 3 4 11 10 12 15 8 4 4 6 7 4 11 14 8 4 6 27 7 10 4 5 13 2 11 17 9 17 27 6 12 28 18 6 8 3 4 4 4 11 100 15 16 0 3 4 3 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 9 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 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 3 4 3 2 3 5 3 3 3 4 7 4 9 15 10 47 16 19 35 13 5 4 5 4 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 85 85 dd 1H J 21 47 | 80 79 dd 1H J 20 86 | 79 78 dd 1H J 17 54 | 76 76 dd 1H J 18 66 | 75 75 dd 1H J 48 86 | 73 72 m 5H | 72 72 dd 1H J 53 66 | 55 54 d 2H J 8 | 38 37 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cn3ncsc3n2)ccc1-c1ccccn1
ir: 2 2 0 1 2 11 3 11 8 2 2 2 2 1 1 3 3 1 1 2 3 4 6 7 59 22 57 4 2 1 1 2 2 1 2 2 2 1 1 1 2 2 2 3 3 0 1 1 1 0 1 3 8 9 14 25 5 4 3 3 5 30 16 4 2 2 5 10 4 12 7 4 2 6 4 2 2 2 10 4 3 20 4 2 4 5 5 5 14 17 21 11 9 3 3 3 2 2 7 3 3 10 27 29 10 6 4 3 2 4 3 3 2 1 2 2 2 3 2 3 2 3 3 7 6 4 8 10 11 10 5 2 2 6 4 5 4 3 6 2 22 15 6 24 5 7 4 2 1 3 13 7 3 5 6 2 2 2 2 1 1 1 2 25 2 2 3 0 1 2 4 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 3 3 2 2 1 1 2 2 3 8 9 12 19 17 100 24 34 39 50 53 23 9 10 5 3 2 3 2 1 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 89 s 1H | 86 86 dd 1H J 16 40 | 85 84 s 1H | 79 79 dt 1H J 9 93 | 77 77 ddd 1H J 16 71 80 | 76 76 dd 1H J 14 81 | 74 74 d 2H J 86 | 72 72 ddd 1H J 15 41 71 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2nc(-c3ccc(C(=O)O)cc3)nc3scnc23)cc1OC
ir: 3 6 3 5 2 2 2 2 2 2 1 4 5 2 4 3 3 5 7 5 10 26 31 9 10 3 2 5 1 6 6 3 6 4 2 2 4 10 2 2 2 2 5 68 100 57 9 4 1 1 4 3 2 4 7 21 13 10 3 2 1 2 2 2 2 2 3 3 8 5 3 1 2 4 2 2 1 13 44 2 2 1 3 1 1 1 1 2 3 5 1 3 5 22 4 2 1 1 1 1 1 1 3 5 1 2 11 2 1 1 2 3 0 1 1 20 3 3 6 3 0 1 3 5 2 4 34 10 14 1 1 1 1 1 1 1 0 18 1 2 5 6 3 6 30 94 5 2 1 2 13 13 14 7 8 29 54 2 1 1 1 1 1 0 21 4 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 2 1 2 5 10 58 17 9 4 2 2 0 2 2 26 26 5 1 1 1 1 2 1 1 1 2 1 4 5 17 23 43 7 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 91 91 s 1H | 84 84 s 1H | 81 81 m 2H | 80 80 m 2H | 75 75 d 1H J 22 | 72 72 dd 1H J 21 83 | 69 68 d 1H J 84 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12
ir: 38 46 7 9 28 12 16 5 4 7 8 7 6 4 6 9 7 9 15 3 1 1 1 2 1 2 3 2 1 2 1 1 2 2 1 2 1 1 2 2 4 7 42 16 3 4 1 2 2 11 2 1 5 19 84 11 3 0 1 2 2 0 3 3 2 2 1 2 0 1 6 24 14 3 6 5 2 12 11 31 1 8 7 10 24 10 7 7 26 21 3 4 0 33 45 14 14 6 12 10 6 3 15 3 7 15 10 25 6 2 0 0 2 1 0 1 1 1 1 2 1 1 0 1 1 0 3 2 2 1 1 1 2 6 12 11 25 5 1 1 1 1 4 3 0 1 4 1 3 8 10 6 1 1 1 1 3 13 12 8 4 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 2 1 0 1 1 2 1 1 1 1 1 1 1 0 1 1 2 1 3 5 5 11 24 48 100 13 13 9 6 6 88 61 44 8 4 1 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 79 78 m 2H | 78 78 d 2H J 88 | 75 75 ddd 2H J 15 72 84 | 73 72 td 2H J 13 73 | 68 68 d 2H J 90 | 62 61 s 2H | 47 47 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCCO)CCCCC[C@@H]1Cc2ccccc2[C@@H]2[C@@H]1[C@@H]1CCC(=O)[C@@]1(C)C[C@@H]2F
ir: 1 2 2 1 4 4 3 2 3 3 2 1 2 2 3 1 1 4 4 8 9 4 4 5 5 6 3 6 12 9 8 2 2 2 2 1 1 2 1 4 4 11 5 4 3 1 1 2 1 4 2 4 4 0 1 1 1 3 2 1 1 1 1 1 1 1 2 3 3 2 3 1 1 1 6 5 3 3 3 1 2 1 1 2 4 9 5 2 3 12 4 4 11 3 5 10 20 19 4 12 6 11 5 3 2 3 4 4 2 3 8 13 4 2 5 3 4 1 4 7 12 3 1 4 3 1 1 3 7 5 3 2 2 2 1 2 2 3 3 6 2 1 1 9 17 9 2 1 1 4 5 1 0 1 1 1 1 0 0 1 2 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 0 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 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 2 3 2 6 3 3 2 1 3 4 4 11 24 7 6 36 14 17 88 100 92 14 5 4 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 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: 72 72 dd 2H J 18 45 | 72 71 m 2H | 51 50 tt 1H J 38 64 | 50 49 tt 0H J 38 64 | 43 42 m 1H | 37 36 q 2H J 59 | 29 29 ddd 1H J 8 47 145 | 28 27 m 1H | 27 26 ddd 1H J 7 74 145 | 26 25 t 2H J 63 | 25 24 ddd 1H J 70 88 148 | 25 24 t 2H J 61 | 24 22 m 3H | 21 20 m 1H | 21 20 ddd 1H J 21 40 76 | 19 18 m 2H | 18 17 p 2H J 61 | 17 14 m 5H | 14 12 m 6H | 11 11 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C1SC(c2ccc(NCC3(c4ncccc4F)CCC3)nn2)N=C1O
ir: 15 12 5 3 17 10 6 5 8 6 15 24 39 28 28 16 11 7 22 8 11 16 11 6 4 6 12 15 21 25 9 6 5 2 3 6 6 8 4 3 7 10 7 4 4 3 10 4 3 2 4 5 8 3 6 7 3 2 19 6 7 6 7 9 4 2 3 3 7 7 16 5 6 5 2 3 3 9 4 4 7 7 18 34 10 3 7 6 8 6 4 2 3 3 3 3 3 3 3 3 2 4 2 4 12 3 3 2 1 1 2 2 2 5 2 6 5 4 3 2 1 2 3 8 19 26 10 3 2 3 3 2 3 3 7 7 13 5 8 6 11 10 5 18 21 25 4 2 2 2 4 19 19 5 11 7 11 31 100 19 9 5 2 1 2 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 5 9 4 3 4 4 10 12 27 10 1 3 4 2 1 2 3 33 63 14 7 3 2 3 4 13 12 4 5 4 4 13 23 25 11 9 12 13 96 100 5 11 6 0 0 3 2 0 1 2 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 t 1H J 27 | 78 78 m 1H | 77 76 s 2H | 73 73 m 2H | 70 70 m 2H | 68 68 t 1H J 59 | 59 59 s 1H | 40 40 d 2H J 59 | 39 39 s 1H | 23 22 dt 2H J 83 145 | 21 20 dt 2H J 84 145 | 19 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(-c2ccc(OC(F)(F)F)cc2)o1
ir: 4 4 5 5 3 5 6 5 4 4 5 5 3 10 14 12 6 4 3 4 4 3 2 2 2 3 3 5 5 3 3 12 26 10 4 3 3 3 2 2 2 2 2 2 3 4 2 1 3 5 3 0 3 37 27 100 85 5 5 12 5 2 3 2 2 2 2 3 2 6 3 4 10 5 3 2 2 3 2 2 2 2 2 2 3 4 3 4 7 6 3 7 16 11 3 3 8 6 3 73 44 29 21 5 8 3 4 3 2 8 10 3 2 2 3 3 3 4 15 9 3 4 8 12 19 16 5 3 2 3 4 8 22 17 6 2 2 2 2 2 2 2 3 2 3 11 19 26 7 72 15 26 11 10 15 16 20 7 5 3 3 2 3 4 20 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 3 6 6 8 27 51 55 87 34 23 5 5 3 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 97 97 s 1H | 74 74 m 3H | 72 72 m 2H | 69 68 d 1H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP1(=O)OC(C)c2ccccc21
ir: 2 6 14 6 8 20 13 6 7 17 16 8 7 3 2 3 3 2 1 2 2 1 1 2 4 2 1 2 2 1 2 2 2 2 4 2 2 3 2 3 3 100 40 43 12 1 2 17 4 1 7 6 5 4 15 7 3 2 6 20 4 2 2 3 5 4 10 11 7 9 3 3 4 6 8 21 10 11 66 14 1 6 9 4 32 13 38 13 22 11 4 3 0 1 3 2 1 1 2 4 1 1 3 3 2 18 11 2 0 4 3 2 1 2 3 2 3 2 5 2 3 3 3 2 1 4 8 15 3 3 4 1 1 2 2 2 6 15 7 16 4 2 2 1 1 3 2 1 13 4 2 1 1 2 3 1 2 3 4 1 2 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 3 2 2 2 1 2 2 2 1 2 4 3 3 5 4 11 12 31 19 31 4 4 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 78 ddd 1H J 14 74 133 | 76 75 tdd 1H J 16 41 74 | 75 74 m 2H | 53 52 ddt 1H J 50 58 77 | 42 41 dq 2H J 69 87 | 16 16 d 3H J 55 | 13 13 td 3H J 7 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCNCCCOc1ccc2ccccc2c1
ir: 2 1 1 1 1 1 1 1 0 3 7 9 2 3 1 2 2 2 2 1 1 1 0 0 0 1 0 0 1 1 1 1 1 1 3 2 4 3 6 4 6 41 43 12 25 18 9 11 4 2 4 4 7 7 17 28 7 3 5 7 15 6 6 4 7 3 3 3 11 3 14 10 8 4 27 26 11 9 2 2 1 1 2 1 1 0 0 1 4 5 2 1 1 2 1 2 4 19 2 3 4 4 3 2 27 5 16 14 49 27 51 18 4 9 23 11 4 10 11 15 2 4 5 2 2 4 4 1 0 2 4 3 3 10 22 33 16 6 5 3 2 2 0 1 1 4 4 9 18 5 1 3 14 28 3 5 5 4 5 1 1 0 0 1 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 2 1 1 1 4 3 4 2 1 2 3 3 2 8 18 2 21 62 52 22 13 4 2 2 2 1 1 0 2 2 2 3 2 4 4 9 29 70 100 12 4 3 3 2 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 2H | 76 76 dt 1H J 18 79 | 75 74 dddd 2H J 13 69 80 250 | 70 70 dd 2H J 18 79 | 41 40 t 2H J 59 | 36 36 p 1H J 49 | 29 28 td 2H J 48 58 | 28 27 q 2H J 53 | 19 18 p 2H J 59 | 16 15 tt 2H J 54 73 | 13 12 m 10H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CCCc2ccccc21
ir: 5 2 2 2 2 4 3 2 6 1 2 1 2 2 4 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 2 4 4 4 2 1 4 8 12 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 3 3 3 2 2 1 2 2 5 19 9 16 7 9 7 19 7 33 7 6 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 3 4 3 2 1 1 2 2 4 2 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 6 5 2 3 3 5 2 1 1 1 2 7 9 2 2 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 4 3 4 2 1 2 3 4 2 5 5 8 14 10 7 2 0 3 7 100 16 78 2 2 3 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 3 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 1H | 73 71 m 3H | 49 49 m 1H | 28 27 m 2H | 27 27 d 1H J 49 | 21 20 m 2H | 20 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)COc1ccc2c(c1)[C@]1(COCC(N)=N1)c1cc(-c3cccnc3F)ccc1O2
ir: 2 4 4 4 6 4 7 8 3 4 2 2 5 4 4 2 3 5 3 2 5 4 8 10 10 6 3 8 3 6 3 2 3 3 4 5 5 54 4 6 4 4 5 2 2 7 3 2 5 3 6 14 6 16 10 10 3 2 2 2 9 9 11 12 2 3 2 1 5 6 15 3 4 2 2 23 1 1 3 2 2 2 1 1 4 3 1 4 2 2 1 1 3 6 1 2 1 1 1 1 3 1 1 1 1 1 2 2 12 1 1 4 2 2 1 2 1 1 1 3 3 10 4 4 3 1 1 4 2 2 17 7 3 1 1 2 1 3 5 2 5 8 19 24 2 17 7 6 19 99 44 7 12 18 7 1 3 1 1 2 1 2 3 3 1 1 1 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 2 1 1 1 1 1 4 4 7 8 9 8 39 24 5 3 3 3 0 2 2 1 1 2 2 1 1 3 5 5 4 70 6 4 2 1 2 3 2 1 2 8 100 16 2 2 1 0 1 1 1 0 1 1 1 1 0 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; 1HNMR: 84 83 ddd 1H J 20 38 51 | 79 78 ddd 1H J 22 38 88 | 76 75 t 1H J 21 | 75 74 dd 1H J 51 86 | 74 73 dt 1H J 20 73 | 71 70 d 1H J 75 | 68 68 d 2H J 11 | 67 67 t 1H J 12 | 45 44 s 2H | 43 42 m 2H | 39 38 m 3H | 36 36 d 1H J 108 | 11 11 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cnnc1
ir: 8 4 8 5 4 16 9 13 3 9 8 7 6 18 14 7 2 3 4 4 3 4 4 3 1 4 5 3 3 5 13 17 12 7 6 5 2 5 4 3 2 5 4 0 2 6 5 5 7 40 7 2 11 44 100 44 37 7 4 2 5 8 4 12 5 7 2 0 12 10 9 46 8 11 6 5 4 5 3 4 5 4 5 20 12 12 11 6 3 4 13 22 8 8 5 2 5 4 3 3 5 7 2 3 6 4 2 3 5 6 4 9 40 8 1 5 8 6 4 14 14 8 5 18 8 7 5 11 6 8 6 6 5 3 1 5 11 6 20 14 13 23 25 6 4 7 19 19 6 3 4 10 9 3 9 9 4 2 2 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 1 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 2 1 3 3 3 2 3 3 1 2 4 4 2 12 14 6 10 9 38 67 43 34 11 16 8 18 15 5 2 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 87 86 d 2H J 7 | 73 73 m 2H | 69 69 m 2H | 68 67 d 1H J 9 | 60 59 dddt 1H J 10 18 117 172 | 52 51 dd 1H J 26 174 | 50 50 dd 1H J 26 119 | 13 13 d 3H J 11 | 12 12 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cccc(OCCCNC[C@H](C)c2ccccc2)c1
ir: 3 2 6 4 2 4 4 2 1 2 4 1 6 3 2 2 2 3 3 2 2 4 3 3 2 5 4 4 5 5 17 33 24 8 6 7 21 14 6 11 12 42 10 12 43 23 12 44 30 12 8 20 19 12 8 30 7 2 3 4 13 5 6 28 19 10 13 39 33 18 17 49 25 10 6 7 7 12 4 11 6 2 1 1 1 2 2 3 10 37 15 21 4 3 3 4 5 7 17 4 11 10 22 8 9 8 45 35 1 32 4 12 20 38 31 39 16 10 16 16 37 19 5 12 7 6 7 8 9 16 9 5 16 2 9 48 37 8 10 6 60 32 26 23 78 29 11 8 3 5 3 10 25 9 12 37 11 3 2 1 4 8 1 2 1 1 1 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 0 1 1 1 1 1 2 4 3 2 3 4 9 4 4 4 8 5 7 6 7 33 15 51 74 46 10 11 12 3 2 5 6 3 2 1 3 1 0 3 5 4 5 52 100 11 9 3 1 2 1 1 1 1 1 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6H | 71 71 ddq 1H J 9 20 78 | 70 69 ddd 1H J 13 22 82 | 68 68 td 1H J 10 21 | 43 42 tt 1H J 45 57 | 40 40 t 2H J 59 | 37 36 s 2H | 36 36 t 2H J 9 | 31 30 ddd 1H J 48 57 128 | 29 27 m 4H | 19 19 p 2H J 60 | 13 12 d 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C1CCCCC1N1CC(C(=O)O)CC1=O
ir: 1 2 4 2 0 2 1 1 1 3 7 7 4 8 4 5 6 4 12 17 16 100 40 31 20 5 4 5 2 3 3 2 1 3 3 1 1 2 2 2 2 3 2 2 2 3 2 0 1 2 2 2 2 2 2 4 7 8 3 5 3 5 6 11 3 5 2 2 2 2 2 1 2 1 2 3 6 9 9 49 8 12 6 2 5 6 14 6 3 2 1 2 3 2 3 3 4 5 3 4 4 3 1 1 3 3 2 3 5 4 5 10 6 9 9 8 7 6 5 4 3 3 5 12 7 6 9 4 6 2 4 5 3 2 2 5 5 1 1 2 3 4 6 13 5 6 3 2 5 38 12 5 3 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 0 2 3 3 3 4 5 3 1 4 2 4 10 18 9 3 1 2 1 1 0 1 1 1 1 4 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 39 38 dd 1H J 49 113 | 38 37 dt 1H J 50 84 | 36 36 dd 1H J 49 112 | 31 30 tt 1H J 49 60 | 27 27 dd 1H J 59 150 | 25 25 dd 1H J 59 149 | 18 17 m 2H | 17 13 m 8H | 9 9 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(CN=C1CC=C(Br)S1)OCC
ir: 8 6 7 22 8 5 5 5 3 4 5 9 6 13 14 17 34 21 10 5 4 2 2 2 2 2 2 4 2 2 2 4 8 7 20 6 6 7 14 21 12 4 4 6 11 19 11 3 4 3 4 7 11 5 6 26 5 17 5 9 4 2 3 4 6 9 22 29 18 11 11 4 12 38 22 10 25 92 10 7 100 29 21 8 2 2 3 3 1 3 2 2 3 6 9 6 13 6 4 6 20 5 2 2 2 2 2 2 3 2 2 3 7 7 3 7 13 17 15 10 6 7 8 10 0 3 9 7 4 15 10 4 2 2 2 2 2 3 2 3 2 4 9 21 19 4 3 2 2 2 3 10 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 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 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 2 1 2 2 1 1 2 2 1 2 1 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 3 3 4 4 2 3 4 5 8 5 5 6 5 7 12 17 13 59 6 7 3 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 63 62 t 1H J 29 | 43 42 dq 4H J 73 86 | 39 38 d 2H J 119 | 31 30 d 2H J 29 | 14 13 td 6H J 7 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1ccc2ccc(OCCCCN3CCN(c4cccc5c4OCCCO5)CC3)nc2[nH]1
ir: 7 2 1 1 2 1 7 3 4 2 2 0 0 1 1 3 8 11 2 1 7 14 85 19 7 3 1 1 2 2 2 5 1 3 2 2 2 4 11 43 67 10 7 17 100 30 13 25 45 7 2 1 7 11 75 18 3 3 11 1 2 5 15 15 5 2 6 12 8 6 4 1 2 3 4 2 4 2 5 3 52 18 4 4 7 10 5 5 1 3 9 4 9 3 2 3 4 8 5 5 34 23 3 3 1 3 2 3 5 8 2 4 7 13 6 18 7 4 3 3 1 1 2 2 1 2 3 2 4 3 2 1 0 1 1 2 37 22 31 6 12 10 8 7 12 4 1 2 4 20 4 28 25 17 2 6 9 28 18 21 6 2 6 60 24 5 2 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 1 1 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 6 3 5 2 3 2 3 2 3 3 3 22 13 15 63 40 19 14 4 2 0 2 2 1 1 1 1 1 1 2 1 0 0 1 1 5 2 5 9 22 16 7 5 1 2 1 1 0 0 1 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 d 1H J 103 | 79 78 d 1H J 81 | 69 69 t 1H J 79 | 67 67 m 2H | 67 66 dq 2H J 12 80 | 43 42 t 2H J 69 | 42 41 td 4H J 42 68 | 30 30 m 4H | 28 27 m 4H | 25 24 t 2H J 60 | 22 21 p 2H J 68 | 19 18 dq 2H J 73 81 | 16 16 tt 2H J 60 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
ir: 1 2 4 3 4 6 6 4 6 8 10 8 5 3 3 4 2 3 4 13 6 4 6 14 10 5 5 10 15 4 19 12 4 3 3 3 6 2 2 15 11 20 4 2 3 2 1 2 2 0 16 3 4 6 64 5 20 8 2 1 1 3 2 1 4 6 4 7 7 7 7 3 6 4 7 11 4 8 23 9 5 2 1 1 1 1 9 8 2 2 1 2 2 1 1 2 3 2 1 2 2 1 1 2 3 7 3 2 7 9 5 3 3 2 3 10 3 7 17 12 13 23 13 6 11 5 5 6 9 2 2 5 6 4 11 3 2 1 2 2 4 100 16 17 8 9 10 6 31 54 22 3 10 6 5 2 2 2 2 1 1 2 7 1 1 1 1 1 1 1 1 1 1 2 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 2 4 5 4 15 25 15 47 35 13 7 6 3 2 3 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 2H | 75 74 m 4H | 74 73 d 1H J 89 | 73 73 dd 1H J 24 88 | 46 46 d 2H J 24 | 43 43 s 2H | 27 27 t 1H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC[C@@H]1CN
ir: 5 3 7 3 2 1 3 4 3 3 4 4 3 4 9 37 11 5 1 2 2 2 1 2 3 2 2 1 1 1 1 1 2 2 1 1 1 1 3 2 1 0 1 1 0 0 0 1 2 1 1 3 4 1 2 2 2 3 2 16 16 2 11 14 4 8 10 1 8 14 30 49 40 11 13 85 49 11 37 23 7 5 4 8 7 4 2 1 1 1 2 2 5 3 1 1 2 3 8 10 4 4 3 4 9 18 1 3 2 1 1 2 3 2 9 23 17 7 4 11 12 13 17 16 8 11 9 27 18 38 36 36 78 63 14 6 12 21 13 4 2 2 1 0 1 1 2 1 3 23 23 6 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 4 2 1 1 1 3 4 2 1 2 6 5 5 14 9 5 1 1 2 1 1 1 2 1 4 4 3 5 14 21 32 38 27 23 21 22 9 19 100 55 8 2 1 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 39 38 ttd 1H J 9 49 59 | 37 36 dt 1H J 81 112 | 36 35 dtd 1H J 9 82 112 | 31 30 dtd 1H J 50 60 109 | 28 27 dtd 1H J 49 60 110 | 25 25 t 2H J 60 | 21 20 dtd 1H J 66 82 119 | 19 18 dtd 1H J 64 81 119 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OCC[C@@]2(C)COC(C)(C)O2)cc1
ir: 7 5 3 4 11 4 3 4 31 41 7 25 34 11 9 5 6 3 1 3 5 3 1 3 13 1 1 3 3 1 0 14 5 3 9 6 4 2 3 32 15 13 9 5 10 6 4 5 3 3 3 6 33 24 4 2 4 4 5 3 3 6 7 12 15 56 12 9 18 8 15 7 3 1 3 4 3 3 4 3 12 20 6 9 100 88 9 11 51 21 4 4 6 84 89 9 6 5 6 12 3 6 7 16 14 5 9 4 0 2 5 3 3 3 5 3 1 5 12 16 5 7 5 7 12 15 12 8 6 8 4 4 3 4 7 6 3 2 3 1 1 3 3 2 3 4 10 8 3 4 4 1 2 3 3 1 1 3 2 0 8 8 2 1 2 3 2 0 2 3 2 1 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 4 6 4 3 3 4 4 4 5 5 5 2 8 24 18 15 20 41 20 3 9 5 4 3 3 3 2 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 77 76 m 2H | 75 74 m 2H | 43 42 dt 1H J 70 125 | 41 41 dt 1H J 68 123 | 38 38 d 1H J 115 | 37 36 d 1H J 114 | 24 24 d 3H J 10 | 22 22 dt 1H J 69 139 | 20 19 dt 1H J 69 139 | 15 14 s 3H | 14 13 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CCC2)c(CNC(=O)OC(C)(C)C)c(=O)[nH]1
ir: 8 9 3 6 3 5 3 4 5 3 5 5 3 4 9 5 7 3 3 2 2 3 3 2 8 13 31 10 28 28 8 16 5 11 6 4 12 8 3 3 3 3 5 6 4 8 7 27 44 35 13 11 7 5 4 2 4 7 3 5 2 5 4 1 6 5 4 3 3 3 2 3 5 8 12 4 4 3 3 3 2 2 2 2 4 3 2 2 3 3 2 2 2 3 3 3 7 12 6 6 9 5 7 4 3 2 2 3 6 5 7 4 5 3 5 3 4 5 9 7 9 9 6 5 6 7 3 4 9 8 6 12 5 3 4 30 6 3 3 10 7 5 7 13 49 15 10 21 12 77 17 0 0 5 3 1 2 5 5 67 28 67 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 3 2 3 2 3 5 4 3 4 4 4 8 20 17 4 7 8 13 9 3 3 2 2 2 2 2 3 2 3 2 3 3 2 2 5 6 7 7 28 47 100 19 13 7 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 97 96 s 1H | 63 63 m 1H | 58 58 p 1H J 13 | 43 43 d 2H J 60 | 30 29 pd 1H J 18 60 | 23 23 d 3H J 13 | 20 18 dtdd 2H J 13 61 84 110 | 18 16 m 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCC(=O)c1ccc(S(=O)(=O)NCCO)cc1
ir: 5 18 8 4 5 6 6 6 2 4 7 3 2 5 4 5 1 3 2 4 3 2 3 3 3 2 1 1 2 2 3 1 1 1 1 1 1 3 2 2 2 1 2 4 4 5 4 5 5 4 3 2 7 7 9 26 17 10 7 4 5 2 2 8 8 5 13 21 16 32 5 9 7 4 4 3 3 1 4 3 1 1 3 7 17 37 21 30 12 27 1 5 4 4 5 2 2 4 12 7 3 4 5 9 21 12 24 9 8 2 3 2 2 3 2 2 2 3 4 5 7 1 3 7 3 7 22 9 2 5 6 3 2 2 1 2 1 1 2 1 2 22 4 3 1 2 1 2 9 7 4 9 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 3 1 2 3 2 4 10 7 10 53 5 2 6 5 5 3 26 100 23 20 9 5 4 4 2 0 3 9 5 8 22 89 4 5 4 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 98 98 t 1H J 64 | 81 80 m 2H | 80 79 m 2H | 63 62 t 1H J 72 | 42 41 d 2H J 64 | 37 36 q 2H J 55 | 34 34 t 1H J 54 | 32 32 dt 2H J 56 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)nc(Oc2cccc(-c3cc[nH]n3)c2C(=O)ON(C)C)n1
ir: 7 17 2 5 4 4 1 3 3 2 3 3 6 3 3 3 1 1 1 2 2 3 1 4 2 2 1 1 2 2 3 4 3 4 3 9 56 24 22 9 8 22 60 25 9 6 3 6 23 14 2 5 2 4 2 0 1 2 1 2 2 5 2 6 18 12 11 4 5 13 11 7 4 2 2 2 1 2 2 1 2 2 2 3 4 11 6 2 2 2 3 8 10 3 4 9 3 2 1 1 1 2 2 5 15 3 3 9 9 5 25 22 4 4 2 4 3 3 2 3 3 2 1 1 1 1 2 2 3 7 8 2 2 3 3 7 5 7 6 5 9 2 6 19 83 50 12 3 5 10 15 8 14 4 5 3 100 98 7 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 5 6 4 9 46 17 7 9 11 4 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 3 2 2 3 8 41 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 3H | 74 73 dd 1H J 15 88 | 73 73 dd 1H J 15 77 | 67 67 d 1H J 22 | 55 55 s 1H | 40 40 s 6H | 28 27 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cccc2c(N[C@H](CCNC(=O)OCc3ccccc3)c3ccccc3)ncnc12
ir: 14 11 9 9 5 3 2 3 2 3 2 14 23 9 7 7 8 3 3 15 5 8 3 3 14 13 13 13 21 40 30 45 44 58 43 53 43 34 21 12 50 75 17 7 10 25 58 22 5 2 2 5 9 0 3 64 54 0 11 6 2 2 2 3 4 8 5 5 8 10 3 5 5 9 4 5 12 3 8 3 1 2 2 5 6 12 9 6 6 25 7 3 1 3 4 5 9 38 13 4 3 2 4 4 5 9 10 17 2 4 3 10 5 21 13 13 7 12 14 6 5 16 35 8 6 3 2 3 2 2 2 3 5 14 42 35 6 8 34 16 49 5 18 50 55 100 21 42 10 68 16 26 16 4 3 47 27 7 48 53 37 20 6 3 70 14 3 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 3 4 3 4 4 4 6 6 6 12 33 49 49 15 8 8 3 3 3 2 3 2 3 4 2 2 3 2 3 18 4 3 3 8 11 17 89 75 36 17 9 6 82 16 4 3 3 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 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 0 1 2 1 0 1 2 1 0; 1HNMR: 86 86 s 1H | 84 83 dd 1H J 12 100 | 81 81 dd 1H J 12 87 | 80 79 s 2H | 75 74 m 1H | 74 72 m 11H | 71 70 d 1H J 77 | 56 56 t 1H J 57 | 51 51 s 2H | 48 47 m 1H | 33 32 dq 1H J 52 146 | 32 31 dq 1H J 52 147 | 23 22 ddt 1H J 51 62 145 | 20 19 ddt 1H J 51 62 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1sc(C(=O)OC)cc1-c1c(Br)cnn1C
ir: 39 10 5 2 1 3 2 1 1 4 4 10 17 25 13 8 5 11 19 27 26 24 21 10 1 6 6 6 8 1 1 2 4 3 1 1 1 1 2 2 2 4 10 6 2 3 2 1 1 3 2 1 1 2 1 3 4 4 2 2 4 1 1 2 1 1 1 2 1 1 2 2 5 1 26 2 4 21 12 7 3 2 4 1 3 2 2 1 2 5 3 4 9 6 11 4 3 4 4 7 29 7 1 1 2 2 1 3 7 9 2 6 14 18 9 9 26 14 100 55 75 34 37 16 6 4 0 5 15 6 71 8 0 3 4 1 1 2 10 5 21 3 4 0 3 12 57 16 2 1 2 20 21 6 7 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 4 2 2 3 2 4 4 2 5 3 3 5 11 23 24 12 10 3 5 38 54 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 79 78 s 1H | 39 39 d 6H J 99 | 29 28 m 2H | 17 16 qt 2H J 60 69 | 10 9 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(=O)c2ccc3c(ccn3S(=O)(=O)c3ccccc3)c2[nH]1
ir: 1 1 2 1 2 3 1 2 1 1 1 5 1 5 4 5 7 10 4 8 6 2 3 9 2 1 1 1 3 8 8 2 2 1 5 14 6 4 3 1 16 3 2 1 1 0 1 1 1 1 2 2 26 100 18 2 3 12 3 1 1 3 10 4 2 1 6 3 2 2 1 1 1 1 1 2 1 3 1 1 1 1 1 2 23 19 17 3 1 1 1 1 1 1 1 2 1 2 5 7 5 3 1 4 22 1 0 1 1 1 0 1 1 4 3 7 4 1 1 1 4 2 2 2 7 2 1 1 1 1 1 1 1 1 5 2 14 1 2 1 1 1 6 6 3 2 2 2 2 1 2 9 13 4 5 5 3 1 1 0 1 2 7 49 50 7 1 1 1 0 1 1 1 0 1 1 1 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 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 0 1 1 1 1 2 4 3 16 10 7 11 4 5 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 3 3 3 13 27 16 5 3 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 97 s 1H | 80 80 d 1H J 84 | 80 79 d 1H J 86 | 78 78 m 2H | 77 76 ddt 1H J 15 72 88 | 76 76 d 1H J 56 | 75 74 m 2H | 73 73 d 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)c2nc3ccccc3[nH]2)cc1
ir: 2 3 3 5 4 1 2 2 3 3 3 2 2 2 1 2 1 2 1 2 3 1 5 2 2 4 6 14 11 6 12 30 5 11 12 2 5 7 3 4 1 3 3 14 2 2 3 2 2 1 1 1 2 4 3 23 3 4 3 2 1 5 1 6 2 2 0 0 1 3 1 3 0 1 1 2 1 1 1 0 1 1 1 0 1 1 1 3 1 2 0 1 1 1 1 2 4 9 6 2 1 1 0 1 2 1 4 6 12 2 7 3 2 1 1 2 3 2 2 6 2 2 2 2 1 2 3 2 2 4 4 4 4 3 26 9 2 1 1 6 2 0 1 5 12 47 34 2 14 18 19 3 47 11 2 7 1 2 1 1 1 2 3 2 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 1 1 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 1 0 1 1 1 1 1 1 1 1 1 1 2 2 3 3 8 9 8 31 18 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 17 100 30 15 19 3 3 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 1H | 75 74 m 1H | 72 71 m 2H | 71 70 dq 2H J 9 81 | 69 68 m 2H | 64 64 d 1H J 68 | 54 53 dt 1H J 54 68 | 38 38 s 3H | 33 32 ddt 1H J 9 54 151 | 30 30 ddt 1H J 9 55 152 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.