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1 value
COc1cc(N2CCOC2=O)ccc1Br
ir: 5 4 1 3 4 5 3 3 4 2 2 3 4 3 1 4 4 3 3 4 5 2 2 4 5 2 2 3 3 3 3 4 4 1 2 5 6 3 7 100 8 5 5 6 4 3 5 5 3 6 7 5 6 25 38 7 3 2 3 5 3 1 3 6 5 5 29 34 32 8 8 6 4 3 3 5 2 2 4 4 6 5 3 7 14 4 4 5 3 3 6 5 2 2 4 6 14 8 5 3 1 2 4 3 2 7 9 4 2 9 17 19 4 4 4 3 8 17 20 9 6 4 4 3 3 4 12 5 3 4 9 36 1 4 4 2 2 4 4 5 19 4 3 2 2 5 4 2 41 66 8 59 14 7 76 0 2 8 5 0 3 13 85 11 4 3 3 2 2 3 2 1 2 4 2 1 3 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 2 2 3 3 2 3 4 3 1 2 7 3 1 3 4 4 3 5 7 18 14 28 28 31 7 7 8 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 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 2 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 2 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 75 75 d 1H J 88 | 70 70 dd 1H J 21 89 | 70 69 d 1H J 22 | 44 43 t 2H J 42 | 41 40 m 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CC=Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2sccc21
ir: 4 6 12 22 29 57 46 6 5 4 8 8 11 14 4 11 5 2 2 9 11 5 9 6 5 2 1 4 5 4 2 5 5 2 4 13 6 6 2 5 5 1 26 100 12 20 31 9 3 3 4 7 12 3 24 5 9 1 7 26 52 2 4 8 3 3 4 4 3 3 10 13 2 3 6 64 10 4 5 10 4 4 18 22 3 31 16 17 42 8 8 9 7 4 14 6 8 3 5 3 4 4 6 10 1 4 6 4 2 4 9 4 1 3 6 3 0 13 7 6 2 11 3 3 1 3 4 2 12 6 5 2 5 14 9 10 4 4 5 2 10 4 6 2 1 4 4 3 4 5 6 4 15 11 16 4 4 5 6 2 19 3 3 5 23 5 3 0 2 5 3 0 2 5 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 4 4 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 3 4 9 9 2 11 46 21 12 31 17 6 3 4 16 27 3 3 4 2 1 3 3 2 1 4 4 1 2 7 7 8 14 17 8 5 4 4 3 3 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1; 1HNMR: 79 79 dd 1H J 14 80 | 76 76 d 1H J 55 | 76 75 m 2H | 74 73 m 2H | 65 64 td 1H J 18 76 | 21 20 t 2H J 75 | 19 18 m 1H | 10 9 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc(Br)c(C)c1-c1ccc(S(N)(=O)=O)c(C)c1
ir: 3 13 12 5 4 4 5 2 1 1 1 4 3 2 10 4 6 3 5 10 1 1 1 0 1 0 1 0 2 2 1 1 1 1 1 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 3 7 7 1 2 1 0 1 1 3 20 1 5 2 0 1 2 4 6 2 2 1 6 3 9 5 4 24 23 6 41 42 13 40 45 63 36 60 19 6 5 11 7 3 2 2 4 3 3 0 2 2 3 1 1 2 2 2 4 3 9 5 6 14 21 100 19 8 5 4 5 1 3 1 2 1 2 1 1 1 1 13 2 1 1 1 1 1 2 3 2 1 2 5 3 1 5 1 1 1 2 2 0 0 0 1 0 1 1 1 2 0 1 1 0 0 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 0 1 1 2 1 5 3 7 1 3 4 5 11 5 8 2 2 2 0 1 1 1 1 1 1 0 1 1 1 3 1 3 11 13 16 13 8 19 93 36 7 3 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 88 | 76 76 m 1H | 76 76 dd 1H J 22 86 | 71 71 s 2H | 39 39 s 3H | 26 26 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c(C=O)[nH]1
ir: 6 4 4 3 2 3 5 2 2 2 3 2 2 3 3 2 6 3 3 2 6 4 3 2 2 3 3 2 2 9 3 2 2 3 3 2 2 3 4 2 2 3 3 2 6 3 36 36 2 5 6 2 4 31 4 2 3 3 2 2 3 4 2 2 2 4 3 2 3 3 3 3 3 3 6 16 8 4 2 3 3 4 8 2 3 3 2 2 3 3 2 2 3 3 4 3 4 3 4 10 8 6 7 5 3 5 17 19 4 4 6 3 3 3 2 3 3 3 3 4 3 3 5 5 5 4 4 5 4 18 6 3 6 7 8 5 3 3 4 3 2 4 5 5 3 100 3 5 4 1 1 3 3 0 3 3 3 2 6 7 4 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 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 1 2 3 2 1 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 2 2 2 3 5 2 3 3 3 2 2 3 3 3 3 3 4 5 5 6 2 2 6 6 7 1 3 3 2 1 3 3 2 2 3 4 3 3 5 10 4 23 4 3 3 8 7 8 6 4 4 4 3 3 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 99 99 s 1H | 68 68 s 1H | 36 35 dd 2H J 13 115 | 35 35 dd 2H J 39 116 | 31 30 m 2H | 23 23 s 3H | 19 19 t 1H J 76 | 11 11 d 7H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(OCc2ccccc2)c1
ir: 1 1 0 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 4 1 3 7 14 2 1 2 1 9 4 1 1 1 1 2 2 11 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 7 4 2 2 1 1 1 1 1 2 5 2 1 1 1 1 0 1 1 1 1 6 2 2 1 1 1 1 1 2 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 2 1 1 1 1 1 1 1 3 4 2 1 1 3 11 2 2 12 7 2 3 1 1 1 1 2 2 3 7 1 1 1 1 4 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 2 0 1 1 0 0 1 1 0 0 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 3 5 5 16 100 16 7 4 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 ddd 1H J 11 21 64 | 74 73 m 5H | 73 73 m 2H | 70 70 ddd 1H J 11 20 69 | 51 50 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc([C@H]2C[C@H]2C(=O)O)ccc1N(CCC(F)(F)F)C1CCCCC1
ir: 8 10 24 13 13 36 4 9 4 8 6 4 10 20 6 10 9 26 48 39 51 18 11 5 5 2 4 3 2 4 1 2 2 1 2 2 7 7 6 4 2 9 3 2 7 6 1 4 2 3 2 3 3 2 3 3 5 3 4 1 2 1 1 1 1 3 2 2 8 3 2 2 3 8 4 5 5 14 47 9 11 4 9 4 3 3 7 10 4 25 8 5 2 4 2 2 3 5 6 3 6 3 3 3 4 7 18 14 4 4 3 5 3 5 6 5 2 2 2 2 3 6 3 2 5 1 1 2 2 1 1 1 1 2 2 5 4 2 3 4 4 20 13 3 7 7 5 31 10 11 26 14 14 6 2 37 98 2 2 8 4 1 1 2 5 1 1 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 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 1 1 0 1 1 0 1 2 0 1 2 3 3 1 2 3 4 5 5 6 6 13 12 15 6 3 2 2 4 3 11 37 98 7 3 1 1 2 1 1 12 35 3 1 1 1 0 1 2 2 1 2 8 100 15 2 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 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; 1HNMR: 69 68 m 1H | 66 65 m 2H | 45 45 s 2H | 35 34 tq 2H J 23 84 | 33 32 m 1H | 29 28 m 1H | 25 23 m 3H | 19 18 m 2H | 17 16 m 5H | 15 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nc2cc(C(F)(F)F)cc(NC3CCCC3)n2n1)c1cccnc1
ir: 4 3 3 3 3 1 2 2 1 1 1 1 1 1 2 3 3 2 2 2 4 3 3 1 2 1 1 2 2 2 3 3 1 1 2 5 6 4 5 3 2 4 2 5 3 2 1 2 2 1 3 5 1 0 2 18 100 16 4 2 2 2 1 1 2 3 9 8 1 2 1 0 1 1 1 1 1 2 1 1 2 1 1 4 2 3 4 2 3 3 3 1 1 1 1 2 2 1 13 2 5 1 1 2 2 3 4 12 11 14 7 6 5 5 10 8 4 11 21 2 4 8 2 3 3 2 1 2 2 1 1 1 1 1 2 2 5 2 2 2 4 1 6 20 26 6 3 2 2 2 14 11 8 10 4 11 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 23 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 3 5 4 6 2 3 3 4 5 4 9 20 8 18 16 17 3 3 4 3 1 2 1 1 1 1 1 1 1 1 2 4 4 7 7 9 4 4 9 16 3 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; 1HNMR: 92 91 t 1H J 17 | 87 87 ddd 1H J 16 26 45 | 83 82 dt 1H J 23 79 | 75 74 dd 1H J 48 79 | 73 73 m 1H | 72 72 m 1H | 61 60 d 1H J 60 | 43 43 dt 1H J 31 61 | 20 19 m 2H | 17 16 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc(Br)cc(F)c1F
ir: 1 1 1 1 1 1 1 1 2 1 1 1 0 1 3 10 3 1 0 1 1 1 2 1 1 1 0 1 1 0 0 1 1 1 1 2 1 5 1 1 1 0 0 1 1 0 0 1 1 1 1 2 2 3 2 1 1 1 1 2 2 4 12 5 8 21 11 0 8 4 0 1 1 1 1 1 0 1 1 1 2 2 4 12 11 20 20 26 29 16 14 11 14 14 5 5 3 2 2 1 0 0 1 4 1 1 1 1 1 1 1 0 1 0 1 0 0 0 1 1 6 2 1 1 2 3 3 1 1 1 0 0 0 1 1 15 7 1 1 0 0 1 1 0 0 1 9 2 1 0 0 0 0 1 3 1 0 1 1 14 2 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 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 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 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 6 2 8 13 14 5 7 4 9 6 4 18 100 13 1 3 4 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 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 ddt 1H J 9 21 33 | 73 72 ddd 1H J 20 31 121 | 47 47 ddd 2H J 9 37 54 | 42 41 t 1H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N[C@@H](C)c1ccccc1
ir: 3 11 23 13 5 9 9 9 1 9 21 25 19 19 18 12 7 4 2 2 1 2 2 3 3 2 2 1 5 4 6 12 6 10 13 9 11 20 22 19 18 24 10 7 10 5 2 21 5 7 8 3 1 2 1 1 5 2 3 4 2 4 8 5 2 4 11 4 14 13 2 5 4 3 2 3 5 7 13 4 2 2 3 1 1 1 5 2 1 3 9 3 2 3 2 2 3 3 3 4 3 8 7 6 1 10 12 14 16 12 4 3 10 10 5 4 7 12 16 17 17 29 19 20 9 5 13 16 14 17 23 17 8 11 28 42 19 9 5 3 3 6 7 4 4 3 1 4 2 4 7 100 6 1 1 2 1 0 0 1 1 0 1 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 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 4 1 2 2 3 4 3 5 3 3 3 7 5 7 38 7 10 30 9 6 5 3 1 2 1 1 1 1 1 1 2 1 3 2 5 5 69 17 9 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 s 5H | 41 41 dtd 1H J 52 60 82 | 37 36 m 2H | 34 34 m 2H | 29 28 tdd 1H J 18 46 83 | 22 21 dddd 1H J 18 64 92 128 | 21 20 m 1H | 18 17 dddd 1H J 46 64 92 128 | 16 15 m 1H | 15 15 ddt 1H J 17 40 71 | 15 14 s 9H | 15 14 d 3H J 57 | 13 12 dp 1H J 72 116 | 9 8 td 3H J 19 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)NCCNc1nc(Cl)nc2c1ncn2C1CCCC1
ir: 5 6 4 4 6 5 4 3 4 4 8 5 11 8 7 15 10 8 11 6 7 12 31 7 7 8 7 4 5 7 9 3 6 5 5 4 4 4 5 5 8 4 9 43 16 10 11 13 5 6 4 2 4 7 7 9 5 7 6 6 7 8 6 4 4 5 4 5 18 26 9 5 4 12 8 3 3 4 3 3 3 4 3 4 4 4 6 17 5 4 3 4 4 4 5 5 4 3 3 4 3 5 8 10 7 6 11 14 52 42 20 12 9 8 7 6 4 5 6 7 9 22 40 16 10 5 5 7 4 5 4 4 3 4 4 6 5 12 7 13 6 6 5 4 3 4 4 2 2 5 4 0 4 82 9 13 9 18 5 6 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 6 4 4 8 5 5 4 6 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 6 6 5 9 42 100 11 7 14 38 12 6 6 5 3 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 80 d 1H J 7 | 73 72 t 1H J 53 | 61 60 t 1H J 60 | 47 46 pd 1H J 7 35 | 39 38 q 2H J 55 | 32 32 m 2H | 31 30 hept 1H J 83 | 21 20 m 2H | 19 17 m 4H | 17 16 m 2H | 12 11 d 6H J 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cc(-c2cncc(N(C)C(=O)c3ccc(F)cc3F)c2)ccn1
ir: 3 4 0 6 1 4 2 5 6 4 0 2 5 2 9 14 11 2 4 6 2 3 6 3 2 3 5 6 8 3 4 15 10 26 34 29 44 17 15 12 6 8 3 2 3 1 3 0 1 2 2 4 3 2 30 9 4 1 4 5 2 3 2 4 12 45 23 46 7 23 17 5 4 6 12 7 1 3 4 1 10 4 7 7 6 2 2 1 1 1 1 1 1 11 3 1 0 4 2 1 0 1 1 1 5 1 3 2 5 6 6 6 16 24 9 4 7 16 10 6 7 28 14 4 8 16 7 2 2 2 4 6 3 6 4 2 1 1 1 1 2 4 8 9 8 57 25 8 15 66 57 20 17 17 6 7 48 2 2 20 7 100 5 5 11 6 6 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 0 0 1 1 1 3 1 1 1 1 2 1 1 2 4 3 0 3 5 6 3 19 39 51 33 7 4 4 2 1 1 2 1 2 1 1 2 1 1 2 3 2 5 5 5 11 9 20 6 4 4 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 91 90 s 1H | 87 87 t 1H J 17 | 85 85 t 1H J 17 | 84 84 d 1H J 47 | 81 81 t 1H J 16 | 79 79 d 1H J 21 | 78 77 dt 1H J 51 83 | 74 73 dd 1H J 22 48 | 72 71 m 2H | 34 33 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)n1c(=O)n(CCCCl)c2ccccc21
ir: 4 7 8 6 7 6 5 5 5 6 5 5 5 6 6 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 6 6 6 5 9 13 5 6 13 15 7 100 58 7 7 7 4 7 8 6 5 5 5 7 7 6 6 6 10 7 6 6 12 7 11 8 6 7 8 11 13 10 36 28 5 6 6 5 5 5 6 11 10 7 6 5 5 5 5 5 5 6 7 5 5 6 5 5 5 6 6 5 8 8 11 10 8 15 8 14 12 7 7 10 7 10 14 9 10 11 8 7 13 20 8 6 6 6 6 7 8 6 8 11 28 43 6 14 17 8 8 9 6 6 5 5 6 6 7 5 16 26 0 50 36 17 6 8 6 5 5 5 6 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 7 6 7 8 7 7 6 7 8 11 14 8 17 33 11 12 36 33 8 8 9 22 11 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 81 80 dd 1H J 14 78 | 76 75 dd 1H J 14 77 | 74 73 td 1H J 14 79 | 72 72 td 1H J 13 79 | 53 52 dq 1H J 9 16 | 50 50 p 1H J 14 | 40 40 t 2H J 54 | 37 36 t 2H J 37 | 23 23 t 3H J 12 | 21 21 tt 2H J 37 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)NCC1(c2ccc(OCCCN3CCCC3)cc2)CCOCC1
ir: 5 2 2 1 0 2 1 1 1 2 2 2 0 1 1 3 9 3 2 2 3 3 2 2 1 1 1 2 4 13 3 0 1 4 7 1 1 7 38 69 10 8 6 1 2 3 4 5 2 7 14 2 2 3 17 53 6 4 1 3 2 3 2 3 8 7 3 3 3 4 4 5 2 3 2 4 3 4 8 10 2 2 1 3 2 2 1 14 7 5 2 2 6 3 4 2 3 1 2 3 2 2 2 2 3 3 4 3 6 4 2 2 4 3 1 4 2 3 2 4 7 5 4 5 6 3 13 16 10 5 3 6 6 8 8 5 10 3 2 1 1 2 2 2 2 2 4 6 12 100 17 17 59 3 7 3 1 1 1 1 1 0 1 2 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 4 4 3 3 3 1 3 3 2 3 3 23 14 10 92 12 5 2 2 1 1 1 1 1 1 0 0 1 1 0 1 1 2 1 1 2 6 13 14 10 13 7 3 2 3 1 1 1 1 0 1 1 1 0 0 0 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 72 71 m 2H | 69 68 m 2H | 65 65 t 1H J 49 | 40 40 t 2H J 65 | 37 37 ddd 2H J 31 59 112 | 36 35 m 2H | 35 35 d 2H J 49 | 35 34 ddd 2H J 33 59 114 | 29 29 s 5H | 28 27 m 2H | 26 25 t 2H J 65 | 22 21 ddd 2H J 32 59 150 | 20 18 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(CCCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c(Cl)cc(Cl)cc21
ir: 2 1 2 0 1 2 1 1 1 1 4 9 4 1 4 1 0 0 1 0 0 1 2 2 1 1 0 0 1 2 10 1 2 33 4 1 2 1 4 3 1 1 1 1 2 1 1 0 0 1 1 0 1 4 12 3 2 1 1 5 0 1 0 1 2 3 11 3 4 4 2 0 1 1 0 1 1 1 1 0 1 2 10 5 2 5 3 1 0 1 1 1 0 1 1 2 2 8 6 3 2 3 3 2 2 1 1 1 1 1 1 1 1 1 3 10 2 2 3 2 2 1 1 2 9 4 1 1 1 0 1 0 1 1 0 1 1 1 0 0 0 0 0 1 1 1 1 4 11 1 1 1 14 12 2 2 22 8 1 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 1 1 2 4 4 4 15 14 9 3 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 100 7 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 83 s 1H | 75 75 d 1H J 22 | 73 72 m 2H | 72 72 d 1H J 22 | 69 68 m 2H | 33 32 m 4H | 28 27 m 4H | 25 24 t 2H J 61 | 22 21 m 2H | 20 18 ddt 2H J 77 144 231 | 16 13 m 6H | 9 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNc2nc(Cl)cc(Cl)n2)cc1
ir: 12 9 11 21 11 14 28 9 11 10 9 7 14 10 10 7 10 5 7 5 5 6 5 4 4 4 5 5 6 5 4 7 5 4 4 4 6 6 3 4 3 4 4 3 3 4 5 6 7 10 16 64 73 30 26 33 9 8 8 6 8 18 9 27 36 22 9 6 4 10 6 6 5 5 3 4 4 5 3 4 3 3 3 3 3 3 4 6 4 4 4 3 3 4 6 5 7 5 8 4 4 3 3 19 3 3 5 4 5 23 3 3 4 3 3 3 6 5 7 7 3 5 9 6 5 6 6 5 4 4 4 3 3 4 7 3 2 4 4 2 1 11 50 56 10 8 100 64 30 12 9 9 10 1 68 32 6 6 4 4 4 0 4 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 6 8 32 35 15 8 6 4 3 4 5 4 3 3 4 4 3 3 4 3 3 3 4 3 4 5 9 23 66 32 55 18 5 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 73 72 dp 2H J 9 80 | 69 68 m 2H | 67 67 s 1H | 63 62 t 1H J 52 | 48 48 dt 2H J 9 53 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(CCCCCCCCCC)SSc1nc2ccccc2s1
ir: 3 5 3 4 10 4 2 2 1 1 2 1 1 1 2 5 2 2 2 1 0 2 2 3 7 2 2 1 10 12 4 4 1 2 3 1 4 8 4 5 4 8 29 15 5 5 2 1 2 4 6 1 2 3 2 1 2 5 2 3 5 3 3 7 6 5 6 2 15 11 44 8 12 5 4 6 3 2 2 1 2 2 2 2 11 23 4 1 2 2 1 2 3 3 4 3 4 7 5 4 4 4 2 11 18 16 11 13 10 6 8 5 6 11 19 24 8 4 5 17 30 6 3 3 2 7 9 13 5 3 2 4 4 3 0 4 23 43 31 15 3 49 63 9 4 1 1 6 72 15 1 3 2 0 2 2 2 1 5 18 5 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 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 2 1 1 5 4 9 8 12 15 5 7 9 21 22 12 15 21 26 37 45 100 49 14 11 26 8 6 7 1 5 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 79 dd 1H J 15 74 | 78 78 dd 1H J 14 70 | 77 76 td 1H J 15 74 | 76 75 td 1H J 14 75 | 61 60 dddt 1H J 10 71 104 160 | 53 52 dt 1H J 22 157 | 52 51 dt 1H J 23 104 | 34 33 tdd 1H J 24 54 76 | 18 17 dqd 1H J 8 57 121 | 16 15 dddd 1H J 8 58 112 123 | 15 14 m 1H | 14 13 m 1H | 13 12 m 9H | 13 12 s 5H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(Cl)cc3Cl)n(C)c12
ir: 4 5 1 4 5 4 4 6 12 21 11 19 9 7 2 6 4 6 4 4 5 3 3 4 8 11 8 3 20 10 4 4 5 2 3 7 8 3 3 3 3 1 2 2 5 7 3 3 3 4 4 5 13 10 39 97 7 4 7 9 4 0 3 15 40 15 18 35 10 12 13 12 13 7 5 9 3 3 5 9 11 2 3 6 5 4 4 10 4 17 9 5 2 2 3 3 2 14 7 5 2 6 8 8 5 14 7 12 9 15 5 4 2 3 3 4 3 6 6 7 9 8 10 14 7 10 8 8 27 42 12 3 4 5 11 5 19 85 44 13 13 8 9 46 18 10 5 2 2 10 3 2 2 5 9 9 4 3 8 35 9 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 4 5 3 3 3 4 3 5 3 5 9 13 9 5 22 34 36 54 38 100 2 18 16 17 5 6 11 5 2 3 5 2 2 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 74 d 1H J 86 | 74 74 d 1H J 22 | 73 72 m 1H | 71 71 d 1H J 27 | 60 59 dddt 1H J 9 90 106 159 | 53 52 dt 1H J 23 159 | 51 51 dt 1H J 23 106 | 37 37 s 3H | 37 36 m 1H | 23 23 s 3H | 19 18 m 1H | 17 16 m 1H | 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.
Fc1cccc(-c2nc3cnn(Cc4ccc(Cl)nc4Cl)cc-3n2)c1F
ir: 1 1 2 4 2 2 6 2 1 1 1 2 4 2 1 1 0 0 0 0 1 1 5 1 0 1 1 1 1 1 1 1 1 6 12 3 2 1 1 2 10 6 12 12 34 34 12 3 10 21 3 5 2 3 7 11 4 2 1 1 3 2 3 4 26 11 4 2 1 0 0 1 0 1 4 6 1 0 0 1 1 4 1 1 2 1 12 3 3 1 1 0 1 1 2 2 2 2 1 5 5 1 0 0 2 0 1 1 4 0 0 0 1 2 8 3 3 2 7 4 2 3 2 3 5 7 6 5 4 8 11 6 10 9 8 10 13 9 5 5 40 4 2 3 4 3 15 0 6 85 6 2 3 0 1 1 3 7 5 3 2 0 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 0 1 1 5 5 5 9 100 24 16 21 21 5 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 t 1H J 9 | 77 77 ddd 1H J 13 40 76 | 76 76 s 1H | 75 75 m 2H | 73 72 dddd 1H J 13 37 90 102 | 72 71 d 1H J 82 | 52 52 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@]1(c2cccc(F)c2C)CC[C@@H](Oc2ccc3cnn(C)c3c2)C1
ir: 16 23 11 10 3 8 10 6 8 14 14 15 60 14 4 5 11 8 6 9 6 6 3 7 6 2 2 4 6 1 0 2 2 1 2 7 15 4 11 8 3 1 4 4 3 5 44 86 11 2 4 7 7 20 24 19 7 6 18 8 5 1 2 3 4 9 10 18 12 4 7 8 2 6 15 38 19 8 5 5 6 8 16 8 1 2 2 6 6 5 3 10 18 3 5 15 16 7 6 2 4 7 7 11 45 65 11 26 7 5 11 11 11 14 13 22 4 23 36 10 11 8 8 10 3 10 3 10 8 13 6 5 2 11 6 4 2 4 31 39 15 20 19 20 32 59 6 4 2 3 2 2 2 24 5 50 45 5 2 4 4 8 2 64 4 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 3 2 3 2 4 6 6 5 7 8 7 3 6 7 9 29 22 37 14 100 23 4 8 5 3 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 80 80 d 1H J 22 | 77 76 dd 1H J 20 86 | 73 72 td 1H J 51 76 | 71 70 m 2H | 70 69 d 1H J 23 | 69 69 dd 1H J 21 85 | 52 52 ddddd 1H J 18 29 36 48 56 | 38 38 s 3H | 37 37 s 3H | 28 27 m 1H | 26 25 m 1H | 24 23 dddd 1H J 17 58 73 135 | 23 23 d 3H J 37 | 22 21 m 2H | 21 19 ddt 1H J 59 73 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC(=O)C(F)(F)F)c1cccc(Cl)n1
ir: 6 5 6 6 11 9 6 4 5 3 2 5 5 7 3 8 12 8 4 10 10 11 12 34 30 9 17 12 8 5 4 5 4 2 4 5 3 0 1 5 5 2 2 14 7 12 18 52 40 22 9 7 3 3 4 4 5 2 3 3 2 1 3 5 5 2 3 5 2 5 6 6 20 17 33 24 7 4 3 5 20 11 4 3 2 2 3 2 1 2 2 5 2 2 5 3 5 22 73 14 11 7 5 4 4 7 19 3 3 3 4 6 8 3 5 4 2 3 7 9 8 5 5 16 8 7 11 10 9 22 20 14 21 49 57 14 12 3 4 8 5 15 25 11 5 3 3 9 7 4 3 5 5 8 45 19 14 18 3 1 2 2 2 2 2 3 2 1 1 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 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 3 2 2 3 3 4 4 4 3 9 7 5 5 6 8 4 15 14 25 24 100 99 0 4 6 4 1 2 3 1 1 2 4 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 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 2 1 1 2 1 1; 1HNMR: 79 78 dd 1H J 11 77 | 77 77 t 1H J 78 | 71 71 dd 1H J 12 78 | 36 36 q 2H J 17
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=O)NCc1c[nH]c2ccccc12
ir: 23 16 14 12 5 9 10 14 6 3 8 7 4 5 8 5 6 6 7 7 10 10 24 22 38 57 43 69 19 17 10 17 14 20 7 5 6 3 5 8 7 38 56 46 10 3 4 8 5 2 4 4 3 1 3 5 4 2 4 4 3 1 3 4 6 9 4 7 6 2 3 3 1 6 28 9 2 1 2 3 1 1 3 3 1 2 4 3 1 1 4 6 8 7 4 4 3 5 7 12 4 2 8 8 25 12 11 29 35 6 13 11 3 6 9 10 3 7 20 17 7 11 5 6 2 12 23 15 3 4 4 3 2 3 3 3 3 10 7 8 63 53 34 80 100 32 11 7 7 5 4 12 10 12 5 3 1 3 2 0 3 5 3 1 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 2 2 2 3 3 1 2 3 3 1 3 6 5 3 2 4 3 6 5 9 36 5 29 35 28 13 29 27 5 8 5 4 2 1 2 3 1 1 2 5 3 4 8 7 17 23 23 76 61 95 45 29 5 4 4 4 1 1 3 3 1 2 3 3 1 2 3 2 1 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0; 1HNMR: 84 84 d 1H J 66 | 77 76 m 1H | 76 76 t 1H J 49 | 74 73 m 1H | 73 72 m 1H | 72 71 td 1H J 9 76 | 70 69 td 1H J 11 74 | 44 44 dd 2H J 9 49 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(N2CC3CCC(C2)O3)cc1
ir: 18 3 1 3 3 2 2 2 1 3 6 3 3 1 1 1 1 1 1 1 1 3 5 1 1 1 1 1 1 4 27 3 1 4 1 3 2 1 1 5 100 17 17 11 2 1 1 7 5 5 2 2 1 3 2 0 2 8 27 7 10 2 1 2 3 3 11 16 2 5 15 7 2 1 4 2 1 2 5 2 7 7 3 2 1 2 2 2 4 5 2 2 1 2 3 10 14 3 2 2 7 3 3 21 9 4 7 9 5 4 4 3 3 3 2 2 1 2 3 3 3 2 3 2 1 2 3 2 2 4 4 1 1 2 2 9 5 2 2 1 1 2 5 7 19 25 3 2 2 2 3 3 16 23 5 0 1 2 2 0 1 10 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 5 7 3 3 4 13 9 6 11 12 27 19 18 9 8 3 3 4 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 2H | 69 69 m 2H | 69 68 tt 1H J 13 77 | 42 41 dtt 2H J 11 23 36 | 37 36 dd 2H J 23 122 | 32 32 dd 2H J 22 123 | 21 20 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(F)c(N2Cc3cccc(CO)c3C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1
ir: 9 5 2 3 3 8 5 10 4 3 3 5 8 5 13 13 8 13 20 23 18 11 0 21 86 57 19 3 5 9 3 5 5 6 4 2 9 6 3 3 8 9 2 5 8 7 20 2 4 7 27 19 10 10 3 3 2 4 2 2 3 3 4 1 3 4 2 1 3 4 11 2 3 3 1 2 15 55 26 8 3 4 7 11 20 21 44 12 24 5 5 7 10 9 11 6 4 9 3 7 6 2 4 2 3 6 1 1 1 1 1 1 2 1 1 1 4 18 2 1 1 2 2 2 3 4 3 2 2 7 7 9 3 2 2 4 3 2 1 6 15 2 2 3 2 2 18 4 10 26 14 4 6 3 12 4 5 3 44 31 38 7 4 11 30 2 2 3 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 3 5 2 2 2 2 2 18 3 3 3 10 4 7 11 5 18 5 3 6 6 28 17 33 24 4 1 1 2 1 2 8 16 1 1 2 1 1 2 2 1 1 3 14 100 36 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; 1HNMR: 87 86 d 1H J 18 | 71 71 s 3H | 64 63 d 2H J 46 | 47 47 d 2H J 59 | 46 46 s 2H | 46 45 m 1H | 45 45 s 2H | 41 41 pd 1H J 17 63 | 14 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(-c2ccc(-c3ccccc3)cc2)nc1/C=C/c1ccc(-c2ccc(O)cc2)cc1
ir: 1 1 1 1 1 1 1 1 6 2 2 2 1 3 3 3 4 3 1 1 0 0 0 1 1 2 1 1 1 3 3 2 1 2 2 1 1 1 1 3 8 16 4 2 1 1 1 1 1 2 2 4 4 8 29 38 20 4 5 2 2 1 1 1 2 1 4 8 3 7 5 1 2 2 3 3 2 3 3 1 4 11 6 3 4 2 3 4 14 5 3 2 3 8 2 4 1 1 1 2 6 1 0 0 1 0 1 3 4 6 2 2 0 2 2 3 5 10 13 4 6 4 5 5 1 3 6 8 2 3 3 1 1 1 6 16 4 2 1 0 0 7 52 7 4 100 10 4 6 7 5 6 6 4 1 2 2 0 0 1 8 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 3 2 3 9 32 34 46 16 26 24 4 8 6 4 9 45 11 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 77 75 m 9H | 75 74 m 4H | 74 73 m 1H | 72 71 d 1H J 142 | 70 70 d 1H J 143 | 69 69 m 3H | 41 40 qd 2H J 8 52 | 14 14 t 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)c1cc(-c2cnn(C)c2)nc(Cl)c1Cl
ir: 14 13 16 12 18 11 7 9 11 17 60 17 17 9 7 14 12 7 5 12 7 7 7 76 100 9 5 8 10 3 4 9 9 11 3 12 7 12 14 12 7 2 3 8 6 1 3 7 5 1 5 20 12 0 5 11 10 10 10 13 8 5 10 20 14 22 13 15 17 13 6 7 4 3 9 10 9 13 27 16 10 7 8 8 3 3 9 8 3 3 13 16 3 22 12 6 2 3 6 5 2 4 7 7 2 7 9 7 2 8 18 16 20 20 14 12 19 52 22 19 24 16 22 12 7 13 6 12 11 12 14 22 26 15 12 30 8 13 13 5 5 11 28 19 66 21 14 43 36 9 24 20 6 5 7 4 9 8 5 2 4 7 6 9 34 10 7 2 3 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 1 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 5 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 5 4 6 9 5 2 5 9 7 6 7 7 5 6 10 16 18 20 19 84 28 5 8 16 19 18 7 7 4 3 4 6 3 3 5 5 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 3 6 4 2; 1HNMR: 82 82 s 1H | 81 80 s 1H | 76 76 s 1H | 50 49 p 1H J 58 | 39 39 s 3H | 14 13 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(S)ccc1OCC(=O)O
ir: 0 1 1 1 1 2 3 1 3 2 5 3 9 8 3 3 2 8 8 12 14 43 4 10 3 4 2 1 2 1 0 1 1 0 1 2 1 0 1 1 2 0 1 2 2 5 22 1 4 4 1 1 1 2 18 7 2 2 1 0 0 3 1 1 1 1 9 2 4 1 1 0 1 2 2 2 4 7 33 79 8 4 6 5 2 1 2 3 1 1 1 2 1 1 1 1 1 1 2 3 3 2 3 2 1 0 0 0 0 0 0 0 1 2 1 1 2 1 1 2 2 2 1 1 2 1 3 3 3 1 1 1 1 1 0 1 1 0 1 1 2 1 5 24 5 2 2 1 1 5 1 1 2 4 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 1 0 1 2 12 6 0 0 0 0 1 1 2 1 0 0 0 1 0 1 1 0 1 0 0 0 0 1 2 3 1 1 1 0 1 1 2 4 4 6 17 11 7 1 1 1 1 2 3 7 84 100 6 2 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; 1HNMR: 72 71 m 2H | 68 68 m 1H | 46 46 s 2H | 36 35 s 1H | 27 27 qd 2H J 8 73 | 12 12 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cn(Cc2ccc3[nH]cc(CCN4CCN(c5nccc6[nH]ccc56)CC4)c3c2)cn1
ir: 3 5 3 2 10 3 2 3 4 1 3 4 1 3 0 7 2 1 1 2 1 1 1 2 3 7 4 2 2 2 3 11 18 6 2 1 1 1 6 7 1 2 2 5 3 4 15 3 2 1 1 2 5 17 45 14 7 0 6 6 10 0 2 2 2 1 4 13 4 19 11 1 1 2 3 2 9 4 4 18 9 1 2 8 4 5 3 7 2 1 3 18 5 2 5 7 4 5 6 13 11 11 6 16 3 3 2 2 2 24 6 7 17 15 9 5 2 24 17 4 3 6 25 16 6 6 4 9 7 4 2 1 2 3 3 3 2 3 7 1 4 8 3 2 6 2 2 1 1 1 2 4 4 24 9 46 16 2 2 1 1 1 1 0 1 3 1 0 1 1 6 22 1 1 1 0 1 1 1 3 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 2 7 17 12 6 2 6 4 6 1 7 9 28 10 8 71 77 100 9 2 3 3 2 1 2 2 1 2 1 1 1 1 1 1 1 2 1 1 2 5 5 21 15 16 2 2 2 2 1 2 1 2 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 97 97 dd 2H J 45 69 | 83 82 d 1H J 40 | 77 76 tt 1H J 7 17 | 75 74 dd 1H J 12 22 | 74 73 dd 1H J 44 66 | 73 72 d 1H J 63 | 72 72 m 1H | 72 71 m 1H | 71 70 ddt 1H J 8 18 37 | 70 70 dd 1H J 17 37 | 70 70 d 1H J 39 | 67 67 d 1H J 43 | 52 52 p 2H J 8 | 35 35 m 4H | 29 29 s 4H | 29 28 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(C)(C)n1c(C)c(C(=O)O)c2ccccc21
ir: 5 3 1 3 4 2 0 3 4 2 1 3 4 3 5 12 6 2 1 4 4 4 2 26 14 100 7 4 3 3 2 3 3 2 2 4 3 2 2 3 2 2 7 26 5 0 2 4 2 0 2 4 2 1 2 4 3 3 3 4 2 1 3 4 3 3 3 9 5 3 5 7 4 4 4 4 2 66 17 6 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 4 6 3 4 3 1 3 4 3 1 2 4 7 10 3 4 2 0 2 4 2 0 6 6 3 4 3 4 4 2 3 4 2 1 4 5 3 3 3 4 2 1 12 21 16 5 3 3 2 2 4 7 9 2 3 6 4 2 3 3 4 24 4 3 1 2 3 3 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 2 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 5 2 1 2 3 3 1 2 4 2 1 4 6 11 5 9 11 14 6 3 4 2 1 2 3 2 5 3 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 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 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; 1HNMR: 79 79 dd 1H J 15 72 | 75 74 td 1H J 15 70 | 74 73 m 2H | 38 38 s 2H | 33 33 s 3H | 24 24 s 3H | 16 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2cccnc2)CCC(=O)CC1
ir: 1 4 19 7 4 5 4 4 2 4 4 4 17 4 9 7 2 6 3 2 0 2 2 1 2 12 17 31 26 20 14 19 36 42 31 30 2 4 3 10 10 12 6 1 1 2 2 0 1 2 2 1 2 10 18 20 8 22 20 30 9 23 22 6 5 10 5 2 4 11 14 7 12 8 3 2 3 4 3 3 4 2 1 0 2 2 1 4 7 2 3 3 9 7 1 10 16 11 5 1 5 6 3 5 5 2 0 3 4 8 12 30 22 27 16 31 19 15 6 24 21 43 29 41 21 9 12 9 7 13 8 6 10 6 4 5 3 6 6 12 30 22 22 27 100 55 6 6 4 2 4 7 14 18 17 25 9 5 2 14 13 23 6 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 3 4 4 5 10 8 20 10 7 4 4 8 7 12 29 34 39 47 52 8 5 3 3 7 3 1 2 2 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 t 1H J 16 | 85 85 ddd 1H J 13 20 35 | 78 77 dt 1H J 20 73 | 73 72 dd 1H J 38 74 | 27 26 ddd 2H J 40 62 139 | 26 25 m 4H | 24 23 ddd 2H J 41 63 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(Sc2cccc(CO)c2)c1
ir: 1 0 0 0 2 1 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 5 5 5 1 0 0 0 0 0 0 0 0 0 1 4 3 2 1 1 1 0 0 0 0 0 0 0 0 1 1 1 0 0 1 2 6 3 2 1 1 1 0 0 3 4 2 1 1 1 3 5 6 9 5 8 3 4 2 2 2 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 6 5 1 1 0 0 0 0 0 0 0 0 0 0 0 8 5 0 0 0 0 0 0 0 0 0 0 0 1 4 4 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 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 2 2 1 1 1 1 2 1 3 16 51 10 3 2 2 2 3 6 100 16 4 3 1 1 1 0 0 0 1 0 0 0 1 1 1 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 ddd 1H J 11 20 62 | 75 75 ddd 1H J 13 22 60 | 75 74 m 2H | 74 73 m 2H | 73 72 qd 1H J 7 17 | 72 72 m 1H | 46 46 dt 2H J 9 57 | 25 24 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc3c(c2)OCO3)c1
ir: 2 4 4 8 3 4 6 4 12 3 3 2 2 3 3 4 17 4 27 19 5 6 4 3 6 4 3 5 3 6 11 18 33 5 4 8 19 5 4 3 4 7 6 3 9 7 15 2 7 7 13 53 21 31 93 54 30 9 5 8 10 9 7 14 8 15 13 14 15 25 11 6 29 27 11 28 7 8 7 6 5 6 3 2 3 3 4 7 5 6 9 4 5 3 3 5 6 5 4 4 18 9 3 10 5 4 3 11 5 3 2 4 7 5 4 4 9 7 3 45 11 7 6 5 7 17 7 29 15 7 6 26 6 4 3 10 5 3 3 4 100 22 8 10 31 9 4 5 5 0 10 34 29 76 9 3 38 5 4 5 8 18 14 67 10 3 4 4 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 4 3 3 5 10 6 6 4 3 4 6 9 8 30 29 19 71 45 34 13 8 6 5 3 3 4 6 4 3 5 4 3 4 4 5 3 4 3 26 29 32 13 12 8 3 8 4 1 2 3 3 2 2 2 3 2 2 2 2 2 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 89 s 1H | 88 88 s 1H | 80 79 td 1H J 10 21 | 76 76 ddd 1H J 13 22 75 | 76 75 t 1H J 74 | 73 73 ddq 1H J 10 21 73 | 71 70 dd 1H J 21 89 | 70 70 d 1H J 21 | 68 67 d 1H J 90 | 64 63 s 1H | 60 59 s 2H | 42 41 q 2H J 66 | 36 36 d 2H J 9 | 13 13 s 8H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c2ccccc2c2cc(NC(=O)Cc3cccnc3)ccc21
ir: 3 7 4 14 1 1 2 3 2 1 2 2 1 1 1 1 1 1 2 4 4 1 2 6 2 2 5 3 2 5 10 8 8 58 40 16 26 23 4 5 4 5 12 48 7 4 1 2 3 2 3 5 6 8 27 8 4 3 2 1 1 3 2 2 4 2 2 2 22 11 9 2 1 4 9 9 2 7 3 3 3 4 1 1 3 1 0 1 5 4 4 5 1 3 1 1 2 1 1 3 3 4 1 1 5 14 8 2 0 1 3 5 14 2 0 3 5 5 4 4 1 3 9 4 2 7 5 2 7 28 3 2 1 0 1 1 1 5 3 10 3 4 13 9 6 7 20 6 3 10 17 4 8 34 19 7 8 2 3 1 9 2 0 7 9 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 2 1 1 2 1 1 4 3 2 12 12 19 100 63 9 3 4 3 1 2 4 1 0 1 2 1 0 1 1 2 1 2 3 3 6 20 88 15 6 4 2 1 1 1 1 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; 1HNMR: 96 96 s 1H | 86 85 dq 1H J 11 22 | 85 84 ddd 1H J 13 20 42 | 82 81 m 1H | 81 81 d 1H J 20 | 79 79 dd 1H J 14 65 | 77 76 dtt 1H J 9 20 77 | 76 75 dd 1H J 22 82 | 75 74 m 2H | 73 72 m 2H | 43 42 q 2H J 51 | 37 37 d 2H J 9 | 14 13 t 3H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)Nc1ccc2sc(C(=O)O)cc2c1
ir: 1 1 2 3 9 5 4 2 2 12 2 7 10 17 5 5 3 5 5 5 3 10 31 100 4 3 8 2 3 3 5 9 20 9 8 7 4 3 2 2 2 4 4 3 6 9 9 4 2 2 4 5 4 4 3 5 4 2 2 1 1 2 2 1 2 2 2 4 8 2 2 5 2 2 1 2 2 8 63 23 5 2 2 2 1 1 3 2 1 3 6 3 2 2 4 14 3 5 8 2 2 2 2 2 3 6 7 2 2 3 3 3 2 2 2 2 1 2 3 2 2 32 4 3 5 11 5 3 3 2 1 2 2 1 1 2 2 3 4 25 9 37 14 4 2 8 23 6 4 24 30 7 17 39 5 6 24 5 2 2 2 0 1 22 5 3 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 2 3 2 2 2 2 1 2 2 2 20 6 19 7 8 11 5 3 3 2 2 1 11 12 2 3 1 2 2 3 2 2 4 4 2 4 20 23 34 10 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 82 81 t 1H J 21 | 81 81 d 1H J 21 | 80 80 d 1H J 82 | 75 75 dd 1H J 21 79 | 42 42 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2c(Br)c(C(=O)O)ccc2c1
ir: 3 10 9 3 4 1 1 1 2 2 2 3 4 5 2 10 18 7 21 15 37 89 47 100 26 7 4 2 4 5 4 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 3 7 3 3 2 1 1 1 1 1 1 1 1 3 9 4 11 3 1 2 2 5 15 77 32 53 6 16 3 3 2 3 3 2 2 3 1 1 1 1 1 1 2 2 2 1 2 2 4 6 37 9 2 4 2 1 1 1 1 1 1 2 3 8 8 5 2 1 1 2 3 1 1 3 1 1 1 1 1 1 1 1 2 1 2 5 12 30 35 29 6 6 3 8 7 4 7 1 1 1 2 2 2 1 4 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 8 18 16 5 2 2 1 2 1 0 99 92 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 dd 1H J 14 22 | 84 83 d 1H J 84 | 82 81 dd 1H J 16 85 | 81 81 dd 1H J 22 82 | 79 78 d 1H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2nc(N)c3c(OC)cccc32)cc1OC
ir: 7 3 11 2 7 8 3 7 4 4 4 4 4 3 2 6 8 11 17 10 4 5 5 3 4 2 3 4 3 3 3 3 3 2 2 4 3 3 2 3 2 2 2 3 4 3 3 20 4 3 3 3 4 3 5 7 4 2 2 2 2 2 3 4 3 2 3 3 5 5 2 2 2 2 2 2 2 2 2 2 2 3 5 5 2 2 3 3 3 3 4 4 2 2 2 2 1 1 1 2 3 2 1 1 2 1 2 2 2 1 1 2 2 2 2 2 2 3 2 3 3 2 2 4 3 3 2 3 7 6 3 4 2 1 2 3 2 2 2 2 3 5 2 5 22 1 1 3 3 8 9 18 15 74 26 1 5 4 15 13 5 5 2 0 2 3 2 1 2 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 2 1 1 2 2 3 2 3 3 2 3 4 3 2 9 20 9 4 4 3 2 1 2 3 1 1 2 2 1 2 2 3 6 21 7 3 2 1 2 2 1 1 4 3 5 9 100 9 6 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 73 dd 1H J 12 74 | 73 72 t 1H J 75 | 69 69 dt 1H J 9 19 | 68 68 m 3H | 63 62 s 2H | 55 55 t 2H J 8 | 39 39 s 3H | 39 38 d 6H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCC2=C1C(c1ccc(Br)c(Br)c1)n1nccc1N2
ir: 19 26 7 9 8 7 37 21 8 7 36 14 15 31 15 7 6 8 2 15 16 3 2 4 5 2 3 5 5 3 4 10 7 8 2 7 5 2 4 17 6 2 10 6 4 4 6 46 7 2 40 21 9 25 18 11 5 10 5 7 4 0 4 6 5 5 8 18 15 5 5 7 3 2 5 6 3 3 6 11 7 3 9 12 5 6 15 11 5 24 7 6 4 11 7 26 21 14 9 6 1 3 6 4 2 5 7 5 7 24 10 7 4 6 9 5 2 15 18 7 3 6 18 6 16 8 16 6 2 5 9 33 28 6 5 3 25 7 4 6 29 7 6 4 10 12 7 6 11 13 5 3 13 7 6 4 36 8 5 2 9 100 14 9 6 6 4 2 3 6 4 2 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 2 4 5 2 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 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 5 4 3 3 5 4 3 3 5 4 2 3 5 5 2 3 5 4 3 5 7 7 5 5 8 5 4 10 11 13 7 17 23 25 44 15 6 5 3 5 5 3 3 8 6 4 3 5 6 4 3 7 11 4 6 25 82 83 14 28 16 4 3 5 5 3 4 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2; 1HNMR: 77 77 dd 1H J 7 22 | 76 76 s 1H | 76 75 m 2H | 74 73 ddd 1H J 7 22 77 | 60 60 d 1H J 33 | 57 57 q 1H J 9 | 28 26 m 4H | 17 16 dq 2H J 71 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(/C=C/N2C(=O)c3ccccc3C2=O)cc(C(F)(F)F)c1
ir: 5 9 7 7 9 9 8 6 3 3 4 4 5 3 4 3 4 6 9 5 6 4 3 3 3 3 3 3 3 4 5 4 5 3 4 5 5 6 39 36 35 10 5 3 3 4 4 4 4 6 3 3 3 4 3 4 3 3 3 3 3 4 4 5 5 11 19 20 15 6 3 3 4 4 3 3 7 16 11 11 7 3 9 5 3 3 3 3 3 3 3 3 6 3 3 3 4 10 16 5 4 3 3 4 2 11 7 6 4 3 3 3 3 3 3 3 3 5 7 3 3 3 5 6 4 10 22 36 12 5 4 5 22 5 4 5 5 11 15 7 3 3 3 3 3 3 3 3 3 4 4 4 9 18 26 48 16 4 4 16 8 0 36 5 4 6 4 8 7 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 4 4 4 3 7 11 10 100 13 4 4 5 4 3 3 3 3 3 3 3 3 3 3 3 4 25 27 4 3 3 3 3 3 3 3 3 2 60 15 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3; 1HNMR: 80 79 dd 2H J 31 51 | 78 77 m 4H | 69 69 t 1H J 22 | 68 67 t 1H J 22 | 67 66 d 1H J 134 | 46 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1
ir: 4 3 1 1 2 4 3 3 4 4 2 1 1 2 3 1 5 4 4 2 8 12 4 11 7 18 12 5 2 2 9 12 11 24 9 9 4 20 12 10 36 11 23 9 6 7 6 3 4 6 2 6 2 1 1 2 1 2 1 5 2 4 7 12 15 14 4 5 11 9 5 2 1 1 1 2 4 5 7 5 12 4 3 3 5 5 28 51 5 27 9 12 14 4 5 5 11 4 10 6 2 2 1 1 1 7 6 4 1 1 1 2 13 6 10 2 3 3 5 3 7 2 4 2 5 2 2 1 1 2 4 5 7 13 3 4 2 1 0 1 2 3 4 25 7 4 33 11 34 5 4 10 68 100 5 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 2 2 3 5 3 3 2 6 11 4 8 10 12 9 27 22 23 4 1 1 1 1 1 1 2 1 1 0 0 1 1 1 1 1 2 2 4 8 36 8 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 74 73 m 5H | 49 48 m 2H | 47 46 m 1H | 38 37 m 4H | 36 35 dd 1H J 44 106 | 28 28 t 2H J 69 | 25 25 s 5H | 21 20 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc([C@@](O)(C(=O)OC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC(F)(F)C2)cc1
ir: 11 7 22 29 28 7 14 8 6 15 8 15 7 4 8 4 3 2 2 1 0 2 2 3 2 2 2 1 3 8 3 1 1 2 1 2 4 3 2 2 1 1 3 0 1 1 1 2 1 2 2 1 2 3 5 29 6 3 6 1 2 2 3 1 2 3 2 1 2 2 3 9 7 3 5 9 4 1 3 3 1 1 1 1 2 7 10 28 10 4 8 8 20 12 4 3 7 3 1 2 3 3 0 3 7 3 3 7 10 12 13 14 21 17 28 6 4 7 6 7 8 8 12 12 2 9 10 5 10 3 1 4 1 2 9 7 3 3 1 1 1 0 1 1 1 47 1 4 7 9 9 70 3 7 3 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 1 1 1 2 2 2 2 2 7 4 3 4 7 4 4 16 58 14 14 39 11 3 2 0 1 2 3 100 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 71 71 dp 2H J 9 75 | 50 49 p 1H J 43 | 40 40 s 1H | 37 36 ddd 2H J 60 88 123 | 34 33 ddd 2H J 60 88 123 | 29 28 m 1H | 27 26 qt 2H J 9 73 | 25 23 m 3H | 22 19 m 8H | 18 17 m 1H | 15 14 s 7H | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccc(Oc2ccc(N(CCOC)C(=O)OCc3ccccc3)cn2)cc1
ir: 7 12 8 13 4 7 8 6 0 2 9 7 11 4 3 5 8 6 4 10 5 4 3 3 5 5 2 4 4 7 10 4 2 2 5 7 17 5 10 10 8 8 5 2 3 4 2 2 2 4 4 4 14 13 23 49 100 11 11 3 3 8 4 1 7 8 11 9 15 19 9 4 13 7 5 6 3 3 5 4 2 2 5 2 3 2 2 3 5 25 11 5 5 3 2 4 10 12 42 12 7 25 3 4 4 8 8 17 4 3 0 8 5 9 16 5 4 3 3 6 9 14 9 18 12 10 4 4 9 9 12 7 8 4 5 18 53 47 44 2 2 4 10 12 18 20 7 19 24 19 69 36 24 4 4 4 2 1 1 2 2 9 1 2 1 0 1 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 3 3 1 1 3 2 6 5 6 3 1 2 6 4 22 27 29 36 56 55 17 14 3 2 4 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 84 83 d 1H J 19 | 75 74 dd 1H J 19 83 | 74 73 d 4H J 41 | 73 73 ddd 1H J 37 50 83 | 71 71 dt 2H J 10 83 | 69 69 m 2H | 67 67 d 1H J 84 | 53 52 s 2H | 42 41 m 4H | 37 36 t 2H J 63 | 34 33 s 2H | 29 28 tt 2H J 9 84 | 27 26 m 2H | 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.
Cc1c(C(F)(F)F)ncc(C(=O)O)c1Sc1ccc(C(C)C)cc1
ir: 1 2 6 3 8 2 2 4 7 2 2 5 6 5 4 13 11 13 9 79 22 23 11 22 16 6 7 1 9 17 3 2 2 2 2 1 1 1 1 2 2 21 5 1 7 4 1 1 1 2 1 0 3 9 17 28 3 6 2 2 1 2 2 1 1 1 2 2 3 13 2 2 10 4 2 3 18 21 35 18 7 6 5 10 3 15 27 9 6 3 3 5 24 23 4 2 3 3 45 4 13 4 3 11 5 3 3 2 1 1 2 1 2 2 9 3 2 3 5 4 1 4 6 11 3 3 3 1 3 2 16 4 2 7 2 2 2 1 1 2 2 1 20 6 2 5 18 13 4 5 5 26 19 10 2 1 1 2 6 6 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 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 2 2 1 1 2 1 1 1 2 2 1 2 1 3 7 9 17 24 22 26 5 4 3 3 3 2 7 79 100 11 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 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; 1HNMR: 88 88 s 1H | 73 73 m 2H | 72 72 m 2H | 29 28 m 1H | 26 26 s 2H | 13 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(O)c2ccccc2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1
ir: 3 2 4 4 3 2 2 3 4 7 3 7 9 4 4 5 23 10 5 2 4 8 5 5 6 2 4 3 1 3 7 8 5 8 5 4 3 6 6 11 12 7 9 3 3 9 5 28 13 5 2 2 2 1 5 26 24 6 3 11 3 2 2 3 4 2 2 2 2 16 6 4 5 15 9 5 4 4 3 5 5 5 2 3 7 23 35 9 19 5 2 1 3 11 2 3 6 10 6 2 3 2 7 3 1 6 4 13 4 4 2 2 1 2 4 1 7 2 3 4 2 1 2 2 3 2 3 1 2 2 2 38 2 2 2 12 6 4 2 1 4 8 3 15 6 16 5 6 4 27 5 3 25 4 67 7 20 2 1 2 1 0 1 1 1 0 1 1 2 0 0 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 3 2 5 3 6 4 3 9 87 51 16 1 3 3 2 13 88 20 2 3 1 1 1 1 1 1 4 100 2 2 3 1 2 2 3 1 1 4 22 88 14 5 3 2 1 1 1 1 1 0 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; 1HNMR: 85 84 t 1H J 23 | 79 78 d 1H J 80 | 76 75 dd 1H J 21 80 | 75 75 d 1H J 21 | 74 73 m 5H | 73 73 m 2H | 72 72 m 1H | 60 60 dt 1H J 8 53 | 57 57 s 2H | 38 38 m 4H | 33 32 m 5H | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](C(N)=O)N1CCC(CI)CC1=O
ir: 1 1 0 1 2 1 1 1 2 3 3 9 4 4 2 3 10 20 19 13 14 14 22 10 11 11 5 2 10 8 18 23 9 6 1 5 9 7 20 6 2 2 1 1 2 4 4 2 2 1 2 4 1 2 4 2 1 1 1 0 1 1 1 1 1 1 2 3 2 0 1 3 2 1 1 2 5 4 1 1 1 1 1 1 0 1 1 2 1 1 0 3 1 2 3 8 4 3 2 1 1 1 1 1 0 1 4 6 3 3 4 4 5 5 2 4 3 2 3 6 8 5 4 3 2 1 3 1 1 1 2 1 1 2 4 7 8 3 2 1 1 1 2 1 2 15 7 5 9 32 6 2 1 1 1 2 3 17 15 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 3 2 2 2 2 2 2 8 6 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 18 16 1 1 0 0 0 0 1 2 1 2 2 100 91 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 65 64 s 2H | 45 44 tq 1H J 16 62 | 35 34 ddd 1H J 59 86 124 | 33 32 ddd 1H J 58 84 123 | 32 31 dd 1H J 49 104 | 29 28 dd 1H J 49 104 | 27 26 dd 1H J 63 144 | 24 23 dd 1H J 63 144 | 22 21 m 1H | 21 19 m 2H | 18 17 m 2H | 10 9 td 3H J 15 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(c1ccc(C#N)cc1)(c1c2cc(F)c(F)cc2nn1-c1ccc(Cl)cc1)C1CCCCC1
ir: 0 0 1 0 0 2 1 1 1 1 2 1 1 1 1 1 3 0 1 1 0 1 1 0 0 0 1 14 1 3 1 1 4 2 1 1 1 2 1 1 0 1 3 2 0 1 1 0 0 1 1 0 0 2 3 12 24 16 5 4 2 1 2 2 1 0 1 3 8 5 5 4 1 1 1 0 0 0 1 1 0 2 1 1 1 1 1 1 0 0 1 1 0 0 2 6 2 1 8 1 2 2 1 1 2 1 1 1 1 0 2 1 5 5 3 3 3 1 1 1 1 1 2 3 2 1 2 5 0 1 1 1 0 0 1 1 2 1 1 0 1 4 1 0 1 2 2 3 5 2 1 2 2 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 2 6 4 21 100 31 6 3 1 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 76 75 m 3H | 75 74 m 2H | 73 72 s 1H | 73 72 m 1H | 73 72 s 1H | 33 32 s 2H | 25 24 p 1H J 59 | 18 17 ddt 2H J 58 78 135 | 17 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)Nc2ccc(C(C)C)cc2)cc1-c1c(Br)cnn1C
ir: 6 5 6 4 1 2 7 4 3 2 7 4 9 8 1 4 8 2 3 3 2 2 1 1 1 1 2 1 2 1 5 4 5 2 2 1 1 2 1 3 4 2 2 1 1 4 3 5 7 6 3 0 4 13 14 21 7 1 8 4 4 4 6 14 2 1 3 5 5 36 8 10 6 4 3 3 4 5 2 0 1 0 0 0 1 1 0 1 2 4 15 5 3 1 2 2 8 2 2 1 3 2 4 17 34 16 10 10 4 2 1 1 1 1 2 3 4 6 10 4 4 5 4 1 5 11 3 6 5 12 7 10 2 4 5 8 5 7 5 10 5 4 2 1 1 1 2 6 4 8 33 8 25 13 6 2 1 1 6 1 1 1 2 1 1 1 12 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 7 2 1 1 1 1 1 1 3 9 23 7 7 21 27 6 25 100 23 12 4 4 2 3 2 1 1 1 1 1 0 1 1 1 1 0 1 1 1 3 9 28 18 3 2 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 88 s 1H | 84 83 s 1H | 77 76 d 1H J 21 | 75 75 s 1H | 75 74 m 3H | 70 70 m 3H | 39 39 d 6H J 62 | 29 28 m 1H | 13 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(F)cncc1-c1cc2cnc(N)cc2cn1
ir: 3 2 3 5 4 4 2 2 1 3 3 5 1 3 6 2 2 1 1 2 2 4 2 1 7 5 3 1 0 1 1 4 18 9 9 5 3 7 2 3 1 1 2 1 1 3 1 1 1 1 1 1 1 2 1 3 2 7 1 1 1 0 1 0 1 1 0 1 6 2 3 1 1 2 3 5 2 0 1 0 0 0 0 0 1 0 0 1 1 1 12 1 1 1 3 1 1 1 3 3 3 5 4 1 1 2 9 0 1 0 1 1 12 1 1 1 0 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 12 2 1 1 1 1 2 1 2 2 3 1 3 10 20 37 5 6 3 6 6 10 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 0 0 1 1 1 1 1 2 2 13 4 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 23 13 0 1 1 0 0 1 1 1 1 5 37 100 5 2 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 d 1H J 16 | 89 89 d 1H J 19 | 88 87 d 1H J 19 | 83 82 dd 2H J 16 141 | 70 70 d 1H J 16 | 52 52 s 2H | 25 25 d 3H J 37
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(OCCn3nc(-c4ccc(C(=O)NCCN)c(Cl)c4)ccc3=O)ccnc2c1
ir: 1 2 4 3 1 2 1 2 2 3 2 2 1 5 5 4 3 2 4 2 2 7 6 5 8 5 9 11 4 3 4 8 19 9 8 4 3 2 3 8 13 8 14 16 8 5 5 15 18 36 7 3 2 8 10 14 20 3 18 6 6 13 4 3 3 6 4 12 16 10 16 15 17 12 16 11 4 3 3 5 10 21 9 4 2 3 1 1 2 3 2 1 6 5 6 5 5 4 3 1 1 1 1 1 2 2 1 1 1 2 9 5 5 6 6 6 4 4 6 3 19 6 4 6 9 14 10 7 5 2 8 5 10 11 25 16 5 3 6 7 12 9 24 12 26 49 25 21 27 17 8 33 15 5 16 10 11 1 5 18 3 5 1 2 3 1 9 1 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 2 3 2 3 2 2 1 2 3 2 5 12 7 14 100 32 18 8 5 2 0 4 4 4 0 6 6 4 15 12 14 9 5 9 12 9 65 75 33 23 15 12 6 13 3 0 1 2 2 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 d 1H J 51 | 83 82 d 1H J 89 | 80 79 d 1H J 81 | 77 77 dd 2H J 35 57 | 75 74 dd 1H J 22 81 | 73 73 t 1H J 49 | 71 71 d 1H J 23 | 69 69 m 2H | 68 67 d 1H J 51 | 45 44 t 2H J 61 | 42 42 t 2H J 61 | 38 38 s 2H | 35 35 dt 2H J 40 50 | 31 30 tt 2H J 40 63 | 18 18 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(OCC)C(C)=O
ir: 0 1 1 1 1 2 10 14 7 2 2 24 8 17 2 1 0 0 1 0 0 0 1 0 0 1 1 4 3 2 1 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 2 12 6 9 5 9 4 1 2 1 5 5 1 1 2 1 4 9 14 67 100 14 7 5 1 8 8 22 19 30 40 47 37 5 3 2 1 1 1 1 1 3 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 2 4 2 2 5 5 4 2 13 12 6 2 2 1 5 5 1 1 0 1 1 0 1 6 6 5 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 3 1 1 1 1 2 2 2 2 2 6 3 8 13 9 4 2 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 dq 4H J 71 84 | 25 25 s 1H | 25 24 s 1H | 14 13 td 6H J 7 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1coc(C(=O)O)c1
ir: 1 5 2 1 1 1 1 1 1 1 1 2 2 0 0 5 5 3 6 10 4 6 18 100 80 7 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 0 1 0 1 1 2 1 1 2 3 1 2 1 0 0 1 1 1 1 1 2 6 3 3 9 56 32 12 1 1 2 3 7 3 1 2 4 6 10 10 1 1 1 2 1 1 0 0 0 1 1 0 0 1 1 1 1 1 1 5 8 1 5 17 12 7 3 2 2 1 1 1 1 1 3 2 2 2 2 5 2 0 1 1 0 0 1 1 1 1 5 10 5 1 1 1 1 0 1 1 1 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 1 0 1 0 0 1 1 1 2 1 4 2 2 2 3 4 6 5 2 1 1 1 3 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 16 | 70 70 d 1H J 16 | 13 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1ccc(C(=O)CBr)c(Cl)c1
ir: 27 8 34 22 20 15 6 6 5 4 3 3 5 7 5 4 2 6 5 9 12 5 10 6 6 9 6 7 9 12 10 5 5 4 2 10 12 10 12 12 19 7 10 10 12 13 12 10 7 6 5 9 5 2 15 23 18 4 6 6 8 3 2 4 4 1 12 36 43 29 57 15 7 6 3 2 2 2 3 2 2 1 2 4 9 5 11 64 65 10 26 9 5 5 4 5 6 7 13 12 25 58 56 31 26 11 9 11 12 22 11 4 1 2 7 7 4 8 21 14 15 28 25 38 42 12 12 12 30 10 12 8 12 7 8 5 2 3 3 2 3 3 2 1 3 8 13 9 7 7 31 6 8 18 8 4 2 2 2 1 1 3 33 6 2 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 2 1 1 3 2 7 7 3 2 1 3 3 2 2 2 3 2 4 11 42 37 19 12 58 18 4 2 3 2 0 2 2 1 1 2 2 2 1 2 2 1 2 4 2 3 3 6 4 15 58 100 22 6 6 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 78 78 d 1H J 89 | 75 75 s 1H | 73 73 d 1H J 22 | 72 71 dd 1H J 21 89 | 45 45 s 2H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cc(C)n(C)n2)ccc1OCc1c(C2CC2)cccc1-n1nnn(C)c1=O
ir: 1 1 1 1 2 1 2 1 3 2 4 6 5 2 2 3 3 8 4 3 4 9 2 3 3 2 1 2 1 1 1 4 2 5 5 12 21 9 4 20 9 10 10 6 4 3 3 2 21 3 6 4 4 4 10 6 2 3 2 0 2 2 2 1 1 1 4 2 6 5 6 9 3 11 3 8 4 2 1 1 2 9 3 1 1 3 1 6 5 4 1 6 5 2 1 2 2 2 1 3 6 2 2 6 3 2 1 1 2 2 6 5 1 2 1 1 2 3 3 3 2 2 4 5 4 2 3 6 2 1 2 2 8 9 17 8 11 8 11 5 41 8 39 8 8 7 2 2 5 7 6 17 14 4 3 4 13 46 27 7 3 2 2 3 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 2 2 1 1 3 2 3 5 8 4 4 11 20 100 56 26 11 7 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 2H | 74 74 dd 1H J 22 90 | 74 73 dd 1H J 69 81 | 70 70 dt 1H J 9 83 | 69 69 d 1H J 89 | 64 64 s 1H | 54 53 s 2H | 39 38 s 3H | 36 36 s 3H | 26 26 m 1H | 24 23 s 3H | 22 22 s 3H | 11 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CC(=S)c1ccccc1)C(=O)O
ir: 2 2 1 6 3 6 1 10 9 8 6 17 8 13 2 3 5 5 4 12 22 50 30 20 10 9 10 5 5 10 8 6 4 4 4 3 3 4 4 26 19 14 6 4 2 3 2 2 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 2 3 7 5 4 2 4 3 5 6 6 18 27 53 27 6 8 3 2 1 2 1 4 3 1 1 2 2 1 2 3 3 2 1 1 2 1 1 2 2 2 2 5 2 1 1 5 13 10 6 2 7 9 5 6 6 4 4 8 3 2 5 10 6 5 8 6 1 8 15 28 5 3 1 2 7 8 9 50 13 46 12 4 2 2 2 2 1 2 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 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 3 2 3 2 3 3 3 4 4 9 6 22 26 40 27 5 8 4 2 5 16 100 99 75 9 5 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 m 2H | 75 74 m 3H | 36 35 dd 1H J 68 150 | 33 33 dd 1H J 69 149 | 31 30 qt 1H J 70 81 | 13 12 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCOc1cccc(C=O)c1
ir: 5 3 0 4 6 2 0 2 4 2 1 4 3 2 2 3 3 2 1 3 3 2 1 3 4 1 1 6 6 37 8 9 4 4 2 4 3 4 5 7 3 1 2 5 7 7 100 15 7 2 3 5 3 2 3 4 2 2 6 20 17 1 3 6 4 1 5 7 4 10 8 12 8 1 4 4 2 2 4 5 3 4 5 3 2 1 3 3 2 4 5 5 4 7 4 3 1 2 3 5 3 4 4 10 26 7 4 3 2 2 4 3 3 7 7 3 1 3 4 4 3 11 6 4 3 7 15 13 3 3 3 2 1 3 4 2 4 10 6 4 10 22 8 2 2 2 4 52 66 9 5 2 2 7 5 5 14 7 3 1 2 4 2 1 2 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 3 2 2 7 4 2 1 3 4 3 2 4 4 8 3 7 8 6 11 5 84 24 3 12 10 9 5 6 4 2 1 3 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 100 99 s 1H | 77 76 dt 1H J 23 78 | 74 74 t 1H J 77 | 73 73 dd 1H J 18 25 | 70 69 dt 1H J 25 77 | 59 58 m 1H | 52 51 ddt 1H J 13 24 163 | 50 50 m 1H | 41 40 td 2H J 9 60 | 25 25 dtt 2H J 14 59 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ncc2[nH]c3ncccc3c2c1CC1CCN(CC(F)(F)F)CC1
ir: 5 3 10 4 17 2 5 5 1 6 1 3 2 6 1 1 3 7 100 30 22 3 2 2 9 1 18 2 2 1 2 3 1 8 6 6 15 20 33 30 10 14 2 7 7 4 4 19 4 3 4 5 5 5 3 3 2 0 2 1 1 8 9 13 6 2 3 0 5 3 4 3 2 13 3 3 2 3 5 2 9 30 28 15 29 15 25 10 11 7 10 3 2 3 4 7 19 8 11 6 7 7 10 5 2 19 32 15 6 11 7 8 2 3 2 1 1 23 5 9 4 3 3 13 7 2 5 8 4 8 7 2 4 4 4 6 3 22 8 23 25 4 1 1 1 5 61 2 29 12 1 1 37 3 25 16 3 0 12 13 3 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 0 2 2 7 4 3 1 3 2 7 8 8 21 5 7 7 14 6 6 4 2 0 1 1 0 0 0 0 1 2 1 0 0 0 0 7 4 1 3 3 10 42 29 11 4 5 1 1 2 0 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 84 84 m 2H | 72 72 dd 1H J 39 74 | 33 33 d 1H J 128 | 33 32 d 1H J 128 | 31 30 ddd 2H J 49 75 123 | 30 29 m 4H | 21 20 tp 1H J 56 79 | 20 19 dddd 2H J 49 57 76 124 | 17 16 dddd 2H J 49 56 75 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)[C@H]1[C@@H](C(=O)O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
ir: 3 3 3 4 3 6 6 3 2 3 6 8 4 7 4 4 2 3 4 6 10 18 6 6 5 1 1 2 2 2 4 8 4 4 3 4 3 1 5 17 18 9 4 3 5 4 3 2 2 1 1 2 2 2 2 2 2 2 2 2 1 1 2 3 2 3 2 3 3 2 2 2 2 5 2 3 4 6 8 27 4 3 3 3 3 4 3 2 3 10 3 2 2 2 2 2 2 4 5 3 2 2 2 3 3 2 2 3 2 3 4 2 2 4 6 3 3 3 4 11 6 7 5 5 2 3 2 2 2 2 3 2 3 2 5 7 7 22 4 2 2 3 6 21 4 25 11 2 2 2 2 3 4 3 45 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 3 2 2 2 2 3 2 2 5 4 10 13 41 12 7 3 4 2 0 4 10 100 61 8 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 72 m 11H | 49 48 ddt 2H J 9 127 167 | 47 46 d 1H J 70 | 46 45 m 2H | 45 45 m 1H | 42 41 m 2H | 17 16 p 2H J 72 | 14 13 h 2H J 71 | 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(O)C1(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
ir: 1 2 3 4 6 3 1 2 6 3 4 3 5 2 2 3 7 79 22 13 18 6 6 8 5 9 11 5 2 2 1 0 1 1 2 0 1 2 2 1 1 3 5 7 5 4 1 1 1 1 1 0 1 2 3 33 3 1 1 0 1 7 2 1 0 1 11 0 5 7 5 1 1 1 1 2 1 5 16 6 3 3 4 22 15 32 3 6 5 1 1 1 1 1 3 4 8 3 6 15 10 4 1 1 0 0 1 1 3 3 1 1 100 6 1 1 1 1 2 1 3 5 10 22 5 8 17 2 2 0 0 1 1 0 0 1 1 0 0 1 1 2 4 21 18 5 1 2 6 1 1 2 3 3 1 1 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 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 3 3 1 1 3 4 58 5 3 3 9 1 1 1 1 7 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 80 79 m 2H | 78 77 dq 2H J 14 117 | 22 21 m 2H | 19 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)/C=C/c1c(CO)n(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc12
ir: 5 2 3 8 2 4 3 3 1 3 3 3 2 8 10 2 3 10 5 5 3 5 4 5 6 4 10 11 3 5 10 2 1 3 3 3 2 11 1 1 11 3 2 2 1 1 1 0 0 1 4 0 1 3 3 20 5 1 0 3 2 1 4 0 4 5 34 3 5 3 11 9 1 1 2 1 1 3 6 6 5 6 4 6 27 37 16 2 1 2 7 3 6 8 7 6 9 8 19 9 12 3 5 1 1 2 5 9 2 2 1 1 2 1 1 1 2 2 2 5 3 8 2 4 9 4 0 1 5 2 1 1 1 1 5 8 0 1 1 0 1 1 5 6 1 4 8 1 1 0 4 3 1 1 4 2 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 0 1 1 1 2 3 7 8 17 8 20 24 11 9 26 100 46 7 6 1 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 77 | 79 78 d 1H J 176 | 78 77 m 2H | 78 77 d 1H J 22 | 77 76 ddt 1H J 15 72 88 | 75 74 m 2H | 74 73 dd 1H J 22 75 | 69 68 dt 1H J 9 178 | 50 50 d 2H J 50 | 44 43 t 1H J 50 | 32 31 qd 2H J 9 91 | 14 13 t 3H J 91
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ncccc1NC(=O)c1ccc(Cl)s1
ir: 7 7 7 8 5 3 3 2 2 4 3 4 4 4 3 6 2 2 2 2 2 2 3 3 3 3 2 3 6 4 4 5 3 2 17 4 4 3 67 66 3 9 8 9 32 50 31 10 4 6 7 2 4 6 3 0 2 4 5 12 9 7 15 23 5 2 3 2 3 4 2 2 8 4 2 2 3 2 2 2 4 8 5 3 4 4 3 3 2 2 1 1 2 2 2 2 3 2 2 2 2 2 1 2 2 11 14 6 13 6 4 21 38 8 4 4 8 5 7 3 3 2 1 2 2 2 1 2 2 2 6 7 10 15 12 4 10 15 5 8 100 11 10 19 32 2 5 5 6 3 10 4 18 61 5 3 6 4 3 19 10 3 1 3 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 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 2 3 3 5 13 25 22 39 29 6 3 4 2 1 2 3 2 1 2 2 2 3 5 4 5 6 5 4 7 33 27 14 6 6 5 4 2 2 3 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 87 87 dd 1H J 20 81 | 86 86 dd 1H J 20 42 | 74 73 m 3H | 71 70 d 1H J 68 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)Nc1cccc(C2CCN(CCCS(=O)c3ccccc3Br)CC2)c1
ir: 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 3 2 3 2 2 5 3 7 21 4 3 9 41 2 1 3 3 17 7 5 2 0 1 2 1 1 1 1 1 1 2 2 2 2 3 1 2 5 3 3 1 1 5 2 2 3 2 1 1 2 14 3 1 2 2 4 11 2 2 2 4 2 1 1 1 2 2 1 1 2 2 1 1 3 4 11 8 2 3 3 2 2 2 1 1 1 2 2 2 3 2 1 1 2 2 1 2 1 2 1 1 1 2 2 1 3 7 2 1 2 2 2 5 4 5 31 20 15 3 2 1 1 1 1 1 1 5 1 1 1 1 1 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 2 2 3 2 1 3 2 4 12 5 11 100 20 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 9 13 9 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1; 1HNMR: 92 92 s 1H | 79 78 dd 1H J 14 72 | 77 76 dd 1H J 14 75 | 75 75 m 2H | 74 74 td 1H J 7 22 | 74 73 ddd 1H J 14 68 81 | 72 72 t 1H J 78 | 70 69 ddt 1H J 9 21 77 | 31 31 t 2H J 89 | 30 29 ddd 2H J 54 81 115 | 28 27 t 2H J 65 | 27 26 hept 1H J 66 | 25 24 m 1H | 24 24 ddd 2H J 54 82 114 | 21 19 m 4H | 17 16 ddt 2H J 55 82 130 | 12 11 d 5H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CN1CCc2c(c(=O)oc3cc(C)c(NC(C)=O)cc23)C1
ir: 2 2 1 2 20 5 4 3 2 4 2 1 2 6 7 3 6 10 8 26 7 4 3 4 4 2 4 2 4 1 2 3 5 2 8 16 3 10 4 2 4 1 1 1 2 2 2 1 2 3 2 1 2 1 2 1 2 2 3 6 3 2 3 3 2 8 3 3 8 8 9 6 3 2 2 3 4 1 3 3 11 2 13 3 3 13 5 1 5 2 2 2 2 1 2 3 5 7 2 4 15 6 1 2 1 1 2 1 2 2 2 1 1 3 8 4 3 5 4 2 2 5 6 6 2 2 2 1 2 3 1 2 3 3 2 3 10 10 7 2 4 6 4 6 1 5 5 3 13 4 2 1 11 100 19 18 3 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 4 3 4 3 2 2 2 1 2 2 6 7 5 3 11 10 3 2 1 4 2 1 1 2 3 1 1 1 1 1 1 1 1 2 2 4 5 19 11 3 5 3 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; 1HNMR: 93 92 s 1H | 81 81 s 1H | 73 73 d 1H J 7 | 36 36 t 2H J 10 | 35 34 s 2H | 32 31 tt 2H J 10 52 | 29 29 m 2H | 24 23 s 3H | 22 21 s 3H | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(CCC)C1Cc2cc(OC)c(OS(=O)(=O)C(F)(F)F)cc2C1
ir: 2 8 7 11 16 26 12 11 39 24 15 9 4 14 8 4 3 8 4 4 5 2 4 24 10 12 16 22 8 7 3 2 2 3 2 2 4 4 2 4 8 3 3 1 3 3 3 4 3 6 3 11 49 15 3 5 10 2 2 1 6 19 18 9 8 9 6 24 11 10 92 14 26 11 5 3 6 4 3 2 13 11 5 16 53 100 62 10 7 23 16 37 18 18 9 9 17 18 20 6 6 6 4 6 4 3 2 4 3 2 2 4 4 7 4 4 3 4 8 5 3 5 3 4 9 9 5 5 4 2 1 2 4 2 5 7 5 4 4 9 4 2 1 3 1 1 1 2 1 1 0 3 10 12 2 2 2 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 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 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 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 1 2 4 3 4 6 3 3 3 4 7 3 11 41 18 10 50 11 3 2 1 1 1 1 1 1 2 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 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 70 69 d 1H J 9 | 67 67 t 1H J 9 | 38 38 s 2H | 33 32 p 1H J 61 | 32 31 dddd 2H J 9 61 136 169 | 29 28 dddd 2H J 9 58 131 139 | 27 26 m 4H | 16 14 m 4H | 10 9 t 6H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(c2ccc(Cl)c(F)c2)C(c2ccc(I)cc2)Oc2ccc(OC3CCCCO3)cc21
ir: 0 2 1 1 1 1 2 4 3 1 1 2 1 1 1 7 0 1 1 1 0 1 1 1 1 1 5 2 1 1 1 1 0 2 1 1 1 1 3 1 3 2 1 1 1 2 2 2 3 3 1 2 3 6 48 37 4 4 2 0 1 1 1 1 1 3 2 8 7 8 4 20 5 3 26 8 5 3 2 1 16 4 1 1 1 1 1 6 6 2 21 2 2 1 8 2 1 1 2 1 1 1 0 1 1 5 1 1 2 2 2 2 3 5 1 5 5 3 4 2 2 3 4 1 4 5 0 3 3 1 1 1 1 1 1 1 1 1 1 2 1 0 0 4 3 15 20 7 4 0 6 5 16 4 2 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 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 0 0 1 1 0 1 1 1 1 1 2 2 1 1 4 2 2 7 10 13 100 24 12 5 3 1 0 2 1 1 0 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 74 74 dd 1H J 48 97 | 74 73 m 2H | 72 71 dd 1H J 21 120 | 71 70 m 2H | 69 68 d 1H J 90 | 68 68 dd 1H J 26 90 | 61 60 q 1H J 10 | 54 54 t 1H J 36 | 39 39 ddd 1H J 37 60 111 | 37 36 ddd 1H J 36 60 111 | 25 24 d 3H J 10 | 21 20 dddd 1H J 36 59 85 142 | 19 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)Oc2c(C(=O)NCc3ccc(F)cc3)nc(Br)c3cccnc23)cc1
ir: 2 4 4 4 20 11 5 11 12 12 3 22 21 7 17 4 2 3 3 4 1 1 4 5 5 7 10 4 9 16 9 19 20 11 5 10 11 1 6 8 38 7 12 21 26 58 11 4 18 6 7 8 36 58 21 20 7 6 4 3 0 1 3 7 9 13 19 10 4 2 15 4 3 4 4 2 2 1 2 2 8 12 9 7 87 10 12 9 100 13 1 3 6 18 12 9 13 10 7 2 4 5 26 2 1 1 2 0 1 1 0 1 1 1 2 2 3 3 27 8 5 5 4 10 5 15 5 3 4 2 10 6 1 1 1 1 1 3 26 3 5 4 8 23 87 14 15 33 17 13 14 7 10 3 8 3 1 1 10 2 2 8 2 17 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 1 0 3 0 1 1 2 3 5 14 40 59 20 11 8 5 4 6 3 0 1 1 1 0 0 1 0 0 1 1 1 4 3 14 15 8 25 13 7 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; 1HNMR: 88 88 dd 1H J 21 41 | 86 85 t 1H J 60 | 82 82 dd 1H J 21 83 | 78 77 m 2H | 75 75 dd 1H J 41 83 | 74 73 m 4H | 72 71 m 2H | 46 46 dt 2H J 9 60 | 24 24 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(C=O)NC=C(C(=O)OC)C1c1ccccc1Cl
ir: 3 4 5 24 4 7 11 18 78 28 35 20 5 7 5 4 6 3 3 3 7 4 8 90 68 100 14 1 12 5 4 1 1 3 2 1 5 17 4 5 6 5 11 13 7 12 5 1 9 5 4 2 2 6 4 4 2 2 2 2 3 3 2 3 3 2 1 1 5 5 5 5 6 4 2 5 8 5 3 2 2 2 2 1 2 2 2 4 4 3 2 4 8 4 4 2 2 2 2 2 3 2 2 2 2 4 5 28 98 6 9 3 15 14 13 8 7 7 6 9 5 5 1 2 4 2 1 2 5 2 3 2 2 3 1 4 24 13 4 8 8 2 4 21 85 9 5 7 21 83 9 97 13 4 4 2 2 2 16 2 4 5 2 2 4 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 3 2 1 2 1 2 1 2 2 2 3 5 3 14 5 3 37 27 8 4 4 1 2 2 1 1 2 2 1 1 4 6 2 1 3 3 1 0 4 6 3 67 93 19 11 9 3 2 3 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 d 1H J 9 | 87 87 d 1H J 57 | 78 77 dd 1H J 17 58 | 76 75 td 1H J 15 79 | 75 75 dd 1H J 14 79 | 75 74 ddd 1H J 7 15 76 | 73 72 td 1H J 13 78 | 48 48 dt 1H J 8 17 | 42 41 q 2H J 72 | 37 37 s 2H | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C[C@@H](O)C(F)(F)F)N[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3OCC4)CC2)CC1
ir: 6 7 6 6 2 7 5 5 4 14 8 8 19 13 14 51 30 15 13 7 12 13 27 6 0 7 11 10 13 6 13 10 4 12 19 13 8 8 15 11 16 10 6 2 4 9 6 1 3 8 6 5 10 15 10 1 5 8 4 2 3 5 4 1 16 9 4 2 5 4 2 9 4 8 5 5 11 6 4 14 5 6 7 23 5 3 2 2 10 5 2 13 7 35 21 29 19 12 6 54 23 21 17 24 9 47 15 5 12 6 8 12 24 30 24 6 11 4 4 4 5 9 12 5 15 19 11 6 6 4 4 2 7 5 3 5 3 1 2 3 7 4 3 6 20 89 42 59 11 12 6 8 6 3 2 3 2 5 8 3 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 3 1 0 1 3 1 1 2 2 2 1 2 3 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 2 2 2 3 1 3 6 6 5 7 7 8 1 5 9 5 14 11 12 3 22 10 10 6 8 80 100 19 4 3 3 1 1 2 4 2 3 4 5 4 2 13 43 37 43 21 23 6 3 4 4 2 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 1 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 79 d 1H J 49 | 70 69 dt 1H J 8 50 | 60 60 d 1H J 90 | 49 48 dq 1H J 36 80 | 47 46 m 1H | 45 45 t 2H J 41 | 36 36 m 4H | 35 34 dtt 1H J 35 62 90 | 31 30 td 2H J 9 41 | 29 28 m 4H | 27 26 m 2H | 26 25 m 1H | 25 24 ddq 1H J 19 99 159 | 18 17 dddd 2H J 35 58 85 135 | 17 14 m 6H | 14 13 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(SCCC(=O)N1[C@@H](c2ccccc2)CC[C@H]1C(=O)O)c1ccccc1
ir: 2 1 1 1 1 1 1 1 1 1 2 4 1 3 3 5 3 2 5 5 17 13 3 3 3 1 3 2 2 3 7 4 4 2 1 2 1 1 1 3 4 7 5 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 2 2 3 1 1 1 1 1 1 2 3 36 6 2 2 1 2 1 2 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 3 3 4 3 6 4 2 2 1 2 1 1 1 1 2 1 2 2 2 2 1 2 1 2 1 1 1 1 1 3 3 3 2 2 7 11 4 5 4 17 5 4 3 16 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 1 1 2 1 2 7 6 3 10 10 13 5 6 3 1 0 1 4 0 100 15 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H | 77 76 m 1H | 76 75 m 2H | 74 72 m 5H | 48 48 ddd 1H J 19 41 60 | 45 45 ddt 1H J 16 44 61 | 33 32 m 2H | 28 27 q 2H J 63 | 23 22 m 1H | 22 21 m 1H | 21 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCN(C(=O)OC(C)(C)C)C[C@H]1CO
ir: 10 7 8 13 26 17 28 12 8 10 6 16 12 11 10 7 15 9 7 6 6 7 5 3 3 3 3 2 2 3 3 2 2 5 3 2 3 3 3 3 5 5 3 2 3 3 2 3 3 4 4 2 2 3 3 2 3 6 3 4 5 8 4 4 3 4 3 4 3 3 4 2 4 3 4 5 5 2 3 4 2 4 25 6 6 10 4 3 3 12 42 100 16 12 3 5 3 6 7 8 9 9 5 4 4 3 1 2 5 3 2 3 5 5 3 3 3 3 4 9 18 12 16 12 10 6 3 9 5 9 7 18 10 6 7 7 4 3 2 2 2 2 2 2 2 2 3 2 2 4 10 84 5 0 1 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 2 2 2 2 3 3 3 2 3 4 4 4 3 3 3 4 3 4 7 18 13 4 2 2 3 5 5 5 36 50 5 6 5 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 38 37 dt 1H J 60 106 | 36 36 t 1H J 62 | 36 35 m 2H | 34 33 m 3H | 31 30 qd 1H J 29 58 | 29 28 ddd 1H J 39 62 114 | 28 27 m 2H | 25 24 dq 1H J 75 123 | 15 14 s 7H | 11 11 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCN1C(=O)C(=Cc2[nH]c(C)cc2C)c2ccccc21
ir: 1 4 4 3 1 1 2 1 3 1 1 1 1 2 1 5 1 2 2 2 1 2 3 5 1 1 1 1 2 1 1 1 1 1 3 1 3 15 3 3 2 1 5 52 8 1 2 12 100 22 4 1 2 3 1 1 1 2 1 1 1 2 3 2 3 6 2 1 12 3 3 2 14 6 2 4 31 5 2 1 3 8 1 2 2 1 1 1 1 1 2 4 2 1 1 1 1 12 14 6 5 9 6 1 2 1 0 1 2 1 0 2 1 2 7 4 11 11 1 2 3 10 6 6 5 3 4 5 4 3 6 6 3 2 2 2 1 3 13 1 3 5 1 2 7 9 3 1 9 3 1 2 2 28 1 2 23 6 1 2 2 0 1 2 4 1 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 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 2 1 2 2 3 3 1 2 1 1 1 2 2 4 6 21 8 21 27 13 3 3 2 3 1 1 2 2 2 1 1 1 1 0 1 1 2 1 8 15 2 1 2 1 13 6 3 2 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 s 1H | 79 79 dd 1H J 13 71 | 76 76 dd 1H J 14 64 | 75 74 s 1H | 74 74 ddd 1H J 13 64 75 | 73 72 td 1H J 14 72 | 60 59 s 2H | 55 55 d 1H J 9 | 23 22 d 6H J 86 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1CCC=C2c3nc(NC(=O)C(C)C)sc3CCC21
ir: 1 2 4 2 2 2 7 4 8 2 2 2 3 4 5 2 7 3 2 2 3 6 2 2 1 2 2 2 4 7 6 2 3 3 3 3 4 3 2 5 2 3 5 3 7 3 18 100 24 13 6 14 4 4 2 3 2 8 4 0 3 4 5 4 6 12 2 2 3 2 2 2 3 3 5 2 3 2 2 1 3 7 2 2 4 9 1 4 1 3 1 2 3 8 3 4 3 4 2 1 2 2 2 3 7 4 2 4 3 7 5 5 4 2 4 4 5 7 6 5 6 9 6 4 2 4 3 2 2 3 4 2 2 1 1 2 4 6 9 28 6 3 5 15 9 9 11 6 5 0 33 55 4 4 3 3 3 2 3 6 2 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 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 3 4 3 2 3 4 3 5 5 6 11 12 13 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 3 3 5 3 3 7 16 83 21 18 2 5 2 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 63 62 tdt 1H J 9 18 48 | 35 35 tdt 1H J 11 20 57 | 29 26 m 6H | 25 24 dt 1H J 66 123 | 24 22 m 2H | 22 21 ddt 1H J 57 82 114 | 19 18 ddt 1H J 57 82 114 | 16 14 m 2H | 11 11 d 6H J 66 | 10 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1c(N(C)C)cnn(C(C)(C)C)c1=O
ir: 26 17 18 14 18 24 13 20 32 20 19 18 18 11 10 25 36 45 16 51 39 19 52 59 74 51 50 37 18 20 45 38 19 13 11 13 11 4 7 13 10 1 6 14 9 2 7 19 12 19 48 70 21 5 13 15 11 3 9 16 18 13 12 30 21 11 11 21 9 11 18 23 14 8 13 15 10 10 25 14 13 5 12 30 15 18 24 36 16 27 27 87 69 19 37 65 100 36 55 19 7 14 23 12 3 15 48 37 29 21 17 15 5 9 20 9 6 17 23 19 9 22 22 12 11 27 40 27 28 35 18 13 15 20 18 16 56 17 14 5 3 11 12 8 16 16 10 3 4 11 9 3 5 11 10 14 21 16 10 24 36 17 8 1 6 12 7 1 6 13 7 0 7 12 6 1 7 12 6 1 7 12 5 2 8 11 5 2 8 11 4 2 9 10 4 3 9 10 4 3 10 9 3 4 10 9 3 4 10 8 3 5 11 8 2 5 11 8 1 6 12 7 1 6 13 8 1 7 13 7 1 7 12 6 2 8 12 6 2 8 11 5 2 8 11 5 3 9 11 5 4 9 10 4 4 9 9 5 4 9 9 4 4 10 9 3 6 11 10 4 12 21 11 3 7 12 8 4 8 14 13 9 18 34 62 21 9 16 10 2 11 14 42 49 20 15 7 3 8 11 6 3 8 10 5 3 8 10 5 4 9 9 4 4 9 9 4 4 9 8 3 5 10 8 3 5 10 8 3 5 10 7 3 6 11 7 2 6 11 7 2 6 11 6 2 7 11 6 2 7 10 6 3 7 10 5 3 8 10 5 3 8 9 5 4 8 9 5 4 9 9 4 4 9 8 4 5 9 8 4 5 9 8 3 5 10 7 3 6 10 7 3 6 10 7 3 6 10 7 2; 1HNMR: 73 72 d 1H J 9 | 46 45 tt 1H J 13 68 | 40 40 d 1H J 53 | 30 30 s 6H | 15 14 s 8H | 14 13 d 4H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@@H]1Cn2nc(COc3ccccc3)cc2C(=O)N1c1ccc(F)cc1
ir: 1 1 2 1 0 3 3 2 1 3 3 4 2 2 5 1 0 2 2 1 0 1 1 1 1 2 2 4 2 3 3 3 2 1 6 2 4 4 3 5 14 14 6 5 36 37 8 2 5 3 5 8 11 12 29 10 11 3 6 4 2 3 2 1 1 2 9 4 10 12 3 5 2 4 3 3 6 6 4 8 4 2 1 3 1 2 11 1 2 2 5 1 2 1 1 5 2 2 2 1 2 2 1 6 6 2 2 6 2 1 1 1 2 2 1 1 2 1 10 4 3 2 2 4 3 2 3 5 5 11 1 4 2 1 1 4 16 1 1 2 1 5 19 42 10 7 7 10 46 4 2 17 16 59 10 3 1 0 1 12 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 4 2 2 3 2 4 4 6 12 35 26 100 29 23 12 9 3 3 2 1 1 4 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 2H | 73 73 m 2H | 71 70 m 3H | 70 69 m 2H | 68 68 t 1H J 9 | 52 51 d 2H J 7 | 46 45 m 2H | 44 43 m 1H | 40 39 m 1H | 38 37 m 1H | 33 33 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cn1c(=O)oc(=O)c2cccnc21)c1ccccc1
ir: 9 5 0 6 11 5 7 4 5 3 5 4 4 3 7 5 4 2 2 4 12 5 3 4 3 2 2 3 5 5 7 17 11 1 10 4 10 32 40 8 51 7 6 3 2 2 2 3 4 1 2 3 2 1 2 3 2 2 3 11 3 2 8 31 3 2 4 4 5 1 4 8 5 3 3 4 2 7 4 4 2 4 4 3 1 2 4 11 2 4 6 5 2 2 3 3 2 7 6 4 3 6 6 16 2 5 12 7 2 2 4 3 1 2 4 2 2 5 34 8 9 3 4 2 1 51 4 3 3 4 4 5 100 6 8 24 7 5 4 7 6 11 6 19 5 5 5 3 5 6 60 1 18 4 4 5 62 22 68 8 4 2 2 2 2 2 2 2 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 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 2 4 4 2 2 4 6 6 5 8 7 5 13 40 27 11 5 4 2 3 4 3 2 2 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 86 85 dd 1H J 21 47 | 81 80 dd 1H J 21 81 | 74 73 dd 1H J 47 81 | 73 72 m 5H | 46 45 dd 1H J 62 135 | 44 44 dd 1H J 64 136 | 35 33 dtd 1H J 63 72 134 | 13 13 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCCOc2ccc(N)cc21
ir: 15 16 25 19 15 7 8 3 3 3 1 2 3 2 1 2 4 5 1 2 3 2 4 6 2 2 2 2 4 7 5 3 4 3 2 3 5 2 2 2 3 1 2 2 1 2 2 3 2 1 2 1 5 5 11 18 2 0 2 2 2 2 4 2 2 1 2 7 13 7 5 6 3 1 1 2 9 2 3 9 18 2 2 2 1 1 2 2 3 3 3 1 1 1 3 2 1 3 3 1 1 1 2 3 5 2 3 3 11 3 4 3 0 3 3 3 2 3 5 3 2 2 3 2 1 3 8 8 3 13 10 2 3 8 6 1 1 2 2 1 1 2 4 2 1 2 4 97 1 5 3 1 2 15 13 3 47 28 8 2 1 2 2 53 7 2 2 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 3 2 2 1 2 2 2 3 2 2 1 2 3 3 3 5 4 9 4 9 20 12 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 66 80 4 1 1 2 2 1 1 2 2 3 100 39 7 3 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 67 d 1H J 88 | 67 67 dd 1H J 21 89 | 65 65 d 1H J 21 | 46 45 s 2H | 41 41 t 2H J 66 | 39 38 t 2H J 69 | 21 20 p 2H J 68 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCBr)C(F)(F)F
ir: 2 3 4 2 0 1 2 2 0 1 1 1 1 1 1 1 1 1 5 2 1 1 2 2 2 12 9 2 1 3 2 2 2 4 11 37 100 29 13 13 12 12 5 1 2 3 2 1 1 2 2 1 1 2 2 0 3 2 1 1 2 2 1 1 1 1 1 1 2 2 1 0 1 2 0 0 2 2 5 29 4 1 1 1 1 1 3 5 1 1 1 1 1 1 1 2 2 3 12 12 4 2 1 2 5 7 2 2 3 3 2 9 35 7 7 5 2 2 3 5 6 4 8 4 5 5 4 2 2 1 1 1 1 1 1 1 1 1 2 2 3 2 4 7 14 67 32 82 6 1 1 2 2 0 2 3 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 2 3 2 2 2 3 2 1 1 2 3 4 6 2 1 1 1 1 1 1 1 1 1 0 1 2 1 2 5 11 4 3 3 3 2 1 2 7 19 35 29 16 13 10 7 3 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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: 68 68 tq 1H J 19 40 | 39 38 dt 2H J 31 43 | 37 36 t 2H J 32
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(OCC2COC3(CCOCC3)OC2)ccnc1CO
ir: 6 5 8 5 7 6 1 1 3 3 2 1 3 2 3 2 2 2 3 2 1 2 4 3 1 1 0 0 1 1 0 1 2 2 3 4 3 1 1 1 1 1 1 0 5 3 2 1 1 0 0 1 1 1 5 2 1 3 1 1 1 1 3 2 2 2 1 1 1 2 1 2 4 7 3 1 1 1 3 1 2 1 1 3 2 4 7 7 20 15 6 3 5 2 3 1 2 1 1 0 1 2 1 2 1 1 3 1 6 2 4 1 1 2 4 2 1 1 1 1 1 1 2 3 3 1 2 1 2 5 3 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 4 3 1 0 0 0 1 2 20 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 2 1 1 1 1 1 3 7 5 3 5 4 1 1 1 1 12 29 100 31 8 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 49 | 70 69 d 1H J 49 | 48 47 d 2H J 56 | 41 40 d 2H J 57 | 39 38 dd 2H J 56 114 | 38 37 m 4H | 36 35 dd 2H J 55 115 | 35 34 t 1H J 55 | 23 22 hept 1H J 55 | 22 22 s 2H | 20 19 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCN(CC(=O)OCC)C(=O)CCC1(C)N=N1
ir: 1 8 9 8 9 11 21 11 9 7 5 3 4 4 4 4 1 6 5 21 14 6 7 4 13 2 4 4 1 7 5 10 15 9 8 1 3 2 3 2 4 4 7 7 7 7 12 2 2 4 5 3 3 9 5 6 9 11 12 18 7 4 2 8 4 3 3 3 2 3 2 6 9 11 21 16 13 23 22 7 3 2 3 2 2 3 5 8 4 5 4 3 6 3 6 9 6 3 6 3 15 8 10 6 7 4 3 3 10 4 1 5 4 9 5 15 8 15 13 17 20 13 6 4 11 10 16 20 18 14 16 7 14 5 2 6 6 8 3 6 8 4 4 12 57 17 14 100 1 5 3 0 0 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 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 2 6 3 3 5 7 8 5 1 3 5 6 5 11 16 28 15 7 1 3 3 2 1 1 2 1 0 1 2 1 1 2 2 2 8 30 4 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 42 41 q 2H J 66 | 41 41 d 2H J 26 | 41 40 s 2H | 30 30 t 1H J 26 | 26 25 t 2H J 79 | 22 21 t 2H J 78 | 13 13 s 3H | 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.
CCOC(=O)c1cc(OCC)c(-c2ccc(F)cc2)c(C2CC(F)(F)C2)c1
ir: 2 7 5 5 6 2 7 3 3 4 4 5 5 3 1 1 1 2 1 2 3 3 2 4 8 2 2 2 1 1 1 1 1 1 1 0 1 1 1 1 3 2 4 1 1 1 1 1 1 1 1 1 2 3 9 4 8 8 1 4 3 1 2 2 2 1 2 7 40 4 6 1 10 5 16 10 1 1 2 5 2 2 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 3 2 5 11 2 4 9 8 3 3 4 36 3 4 4 4 1 7 4 2 4 3 5 4 9 4 5 4 1 1 2 5 7 4 6 3 4 2 2 1 1 2 3 2 16 0 13 3 2 10 3 3 1 0 1 1 2 1 1 2 1 0 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 3 6 1 3 5 5 9 6 14 16 100 46 5 3 1 1 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 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 7 22 | 74 74 m 3H | 72 72 m 2H | 44 43 q 2H J 64 | 42 41 q 2H J 63 | 34 33 m 1H | 29 27 dtd 2H J 56 126 154 | 26 25 dtd 2H J 56 126 154 | 14 13 dt 6H J 63 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C2CCC1CC(OC(=O)Nc1ccccc1-c1cccc(Cl)c1)C2
ir: 2 4 29 6 2 7 4 2 4 20 3 3 3 2 2 1 0 2 4 2 1 1 7 3 1 2 2 2 3 4 9 4 6 9 5 3 3 9 7 9 8 4 17 27 2 7 9 8 5 4 2 1 1 1 1 3 2 1 2 5 3 1 2 1 2 1 1 6 8 10 5 2 6 13 8 7 9 24 5 13 2 1 2 3 4 1 1 2 2 5 2 7 6 8 6 3 3 1 4 2 1 1 1 2 1 2 2 5 5 4 3 1 2 3 3 2 1 3 5 4 4 2 4 6 3 3 5 2 0 1 1 1 3 6 4 16 14 13 2 8 4 4 2 1 3 7 28 100 22 6 10 13 16 8 6 11 4 1 38 1 2 10 4 2 1 0 1 1 0 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 2 2 2 2 1 2 2 2 8 3 10 6 5 21 67 53 7 3 3 2 7 3 2 2 3 1 1 1 1 1 1 2 1 1 2 3 6 7 42 38 9 5 2 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 14 76 | 75 73 m 7H | 73 73 s 1H | 50 49 p 1H J 57 | 32 31 ttq 2H J 15 46 62 | 24 24 t 3H J 14 | 21 20 dt 2H J 60 130 | 20 19 m 2H | 19 18 dt 2H J 60 132 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc(Oc2ccc3c(c2)CC(=O)CC3)nc1
ir: 1 1 0 9 2 2 2 4 0 5 4 4 6 16 22 17 12 4 9 8 2 3 2 1 2 1 1 1 7 1 4 2 2 1 2 2 3 4 26 40 11 5 2 2 1 2 2 1 1 2 2 2 12 12 22 9 4 3 1 1 2 1 1 1 1 1 1 1 3 7 4 1 4 2 3 2 1 2 1 1 1 6 1 0 1 1 2 3 2 3 4 2 4 12 1 1 1 1 1 1 1 0 1 0 1 2 2 1 1 1 1 2 2 1 1 1 4 19 3 1 2 4 6 1 1 4 2 2 0 1 1 1 1 1 1 2 6 38 4 3 1 3 3 20 4 6 3 2 3 2 3 16 3 9 2 2 2 2 100 4 3 17 18 2 2 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 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 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 2 2 1 1 1 1 9 10 4 6 23 6 4 1 0 1 1 0 0 0 0 0 1 0 0 0 0 2 3 1 0 0 0 0 0 1 1 0 0 1 18 22 3 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; 1HNMR: 85 85 d 1H J 20 | 80 80 dd 1H J 19 83 | 76 75 s 2H | 70 69 dq 1H J 8 85 | 69 68 m 3H | 36 36 d 2H J 7 | 30 29 m 2H | 28 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](c1ccccc1)N1C2C=CC(CC2)C1C(=O)OCc1ccccc1
ir: 3 2 2 2 3 2 9 19 1 3 5 3 4 2 1 1 1 3 5 2 6 2 2 3 2 1 1 4 8 16 14 11 13 10 5 19 3 5 18 39 42 10 3 4 2 3 2 2 3 12 5 3 1 2 2 0 2 2 1 1 1 2 7 2 7 2 2 8 16 12 3 5 12 5 2 0 3 8 6 4 2 3 24 2 3 2 1 2 12 10 10 5 3 7 7 2 4 4 8 2 2 1 0 3 26 33 12 4 5 2 3 3 1 2 4 9 6 7 4 6 8 7 2 3 3 4 5 10 2 4 4 2 5 3 12 41 11 5 7 2 0 4 5 67 100 3 1 3 3 1 1 4 9 4 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 2 4 3 2 6 4 3 5 6 12 6 13 35 41 30 10 4 3 3 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 10H | 60 59 m 2H | 52 51 m 2H | 39 38 qdd 1H J 8 19 46 | 36 35 q 1H J 66 | 35 34 dd 1H J 17 81 | 34 33 m 1H | 22 21 ddddd 1H J 9 47 56 79 115 | 19 17 m 2H | 16 15 m 1H | 14 14 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(I)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3F)CC2)c1
ir: 23 5 7 4 7 2 4 7 2 2 2 1 3 9 2 1 1 2 1 0 0 1 14 7 1 2 1 0 0 1 2 3 3 1 1 1 6 5 2 34 10 4 2 0 4 3 1 0 1 4 1 0 1 6 31 20 4 1 3 1 1 3 4 3 3 36 5 11 8 9 1 1 1 5 1 0 3 1 1 1 1 1 2 10 8 100 7 5 10 21 3 2 7 8 13 14 5 5 14 12 9 2 3 3 2 4 24 2 11 1 1 2 14 9 8 3 1 3 2 10 16 11 9 3 6 3 10 6 2 3 2 2 3 2 2 2 1 1 3 3 2 1 1 1 3 6 17 2 4 37 8 3 2 5 3 1 1 1 0 1 3 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 2 3 0 1 1 1 1 1 1 1 1 1 2 3 18 6 10 21 52 11 4 2 2 2 1 1 0 1 1 1 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 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 d 1H J 21 | 81 80 d 1H J 89 | 78 77 dd 1H J 21 89 | 75 74 m 2H | 69 68 dd 1H J 47 78 | 37 36 m 4H | 34 33 m 4H | 32 32 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Oc1ccccc1
ir: 2 4 1 2 2 3 3 3 3 2 2 2 1 7 6 2 1 3 1 0 0 1 1 1 2 1 1 1 1 2 6 6 14 8 1 1 2 7 7 14 16 33 49 28 18 18 12 2 1 0 1 1 0 1 1 4 6 3 1 1 2 0 1 5 15 8 3 14 45 10 1 1 2 1 4 14 3 3 13 1 2 2 2 1 2 1 0 0 1 0 1 1 4 15 28 3 3 3 7 26 24 1 1 1 1 1 2 4 6 16 23 24 7 4 3 1 2 11 21 3 2 3 4 2 2 1 2 4 3 20 21 4 2 1 3 13 6 2 0 1 1 3 8 7 27 10 7 3 3 2 9 5 4 1 1 4 1 0 1 6 5 12 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 2 1 0 1 2 2 3 5 9 32 100 39 15 3 5 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 1H | 78 78 t 1H J 22 | 77 76 dt 2H J 9 20 | 76 75 m 2H | 74 73 m 2H | 72 71 m 2H | 70 70 m 2H | 52 52 d 1H J 19 | 52 52 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCN
ir: 1 1 1 2 0 1 1 1 1 2 0 1 1 1 1 0 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 6 3 8 6 9 15 12 17 8 13 14 13 14 15 11 8 8 8 7 15 11 3 30 26 3 2 4 4 3 6 18 14 30 22 38 35 82 17 13 14 16 12 5 33 30 20 1 2 2 2 2 2 2 2 2 2 3 2 1 1 2 2 1 2 2 3 3 8 7 14 20 7 5 6 5 3 4 3 8 11 10 12 17 18 13 7 6 4 3 4 11 7 6 22 13 75 47 12 7 6 5 6 2 3 2 1 0 2 1 2 1 1 1 1 0 1 1 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 1 2 2 4 7 9 11 2 3 4 2 3 3 3 3 15 5 7 5 4 2 1 1 1 1 1 1 2 2 3 3 10 14 25 57 37 11 4 7 9 6 59 100 10 7 4 4 2 1 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 27 26 tt 2H J 52 65 | 19 18 tt 2H J 52 74 | 16 15 t 2H J 65 | 15 14 p 2H J 73 | 13 12 m 18H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCc1c(-c2ccc(OC)cc2OC)c(=O)oc2cc(O)ccc12
ir: 1 3 3 3 1 2 2 2 0 2 9 3 3 5 3 2 1 2 3 2 1 2 3 3 3 4 2 2 3 4 2 1 1 1 1 1 1 3 2 10 7 1 1 1 1 1 1 2 1 2 3 3 4 15 12 10 11 7 3 2 2 7 7 0 2 4 7 13 10 4 3 1 2 2 3 6 3 2 1 10 4 16 100 7 4 2 2 3 8 2 3 4 1 1 2 1 1 2 7 2 2 9 3 1 1 1 1 1 2 15 3 1 1 1 2 2 2 2 3 3 6 1 1 2 3 4 4 3 1 1 2 1 1 3 1 1 2 2 4 3 1 2 2 1 2 1 1 1 2 8 15 2 2 18 4 5 10 2 1 1 1 3 20 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 2 2 2 3 7 5 9 26 22 3 2 1 1 0 9 65 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 75 74 dd 2H J 92 178 | 68 68 m 2H | 67 67 dd 1H J 22 90 | 66 65 d 1H J 23 | 38 38 s 3H | 38 38 s 3H | 37 36 t 2H J 61 | 33 33 s 3H | 32 31 t 2H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCS(=O)(=O)c1ccc(N)cc1
ir: 12 10 4 16 15 22 22 8 4 2 2 6 2 5 0 2 2 1 1 1 1 1 2 1 3 6 4 3 2 2 1 1 2 2 7 18 3 2 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 3 26 7 3 5 2 1 1 1 1 3 1 13 3 1 1 1 0 1 1 0 2 4 2 2 3 1 1 1 5 3 15 2 1 0 1 1 1 4 0 1 1 2 3 4 15 8 1 1 1 1 0 1 7 3 16 4 2 2 7 3 4 5 4 2 3 8 17 4 1 2 2 1 1 1 1 0 0 0 1 1 1 1 2 1 0 0 1 1 1 2 6 5 1 1 1 2 6 1 7 7 17 16 36 4 1 1 1 1 12 4 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 3 4 1 2 1 1 1 1 3 4 13 1 13 7 7 4 1 2 1 0 1 0 0 0 0 0 0 0 0 1 2 16 24 1 0 0 0 0 0 2 1 3 8 100 23 6 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 73 73 m 2H | 43 42 s 2H | 42 41 q 2H J 66 | 32 32 t 2H J 104 | 25 24 t 2H J 96 | 21 20 m 2H | 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.
C[C@@H]1CC[C@@H](Nc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-n1ncnn1
ir: 0 2 4 4 4 3 5 3 3 10 1 2 1 3 3 3 4 3 11 6 3 5 6 3 6 3 3 4 3 3 13 38 31 16 14 4 6 12 15 5 5 19 6 58 3 2 1 1 1 1 3 1 1 2 1 0 1 3 3 1 3 2 1 1 3 5 6 19 8 2 1 2 2 4 13 4 5 3 2 1 2 4 3 1 2 2 3 21 2 2 12 3 1 1 1 1 2 1 3 3 8 3 3 2 2 2 2 6 5 7 2 1 2 1 2 2 6 14 15 5 7 3 2 12 5 2 2 2 2 4 6 6 7 2 3 8 4 2 3 6 3 1 4 13 34 10 6 3 38 24 4 5 2 5 1 2 1 3 1 24 4 3 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 4 2 1 1 1 2 2 2 3 6 1 6 100 16 6 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 3 3 1 10 63 28 7 2 2 2 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 0 1 1 1 0 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 1 0 1 1; 1HNMR: 92 92 s 1H | 83 83 d 1H J 47 | 81 81 dd 1H J 16 73 | 80 79 dd 1H J 14 82 | 75 75 m 1H | 74 74 td 1H J 14 73 | 72 72 dd 1H J 22 48 | 70 69 d 1H J 21 | 58 57 d 1H J 86 | 41 40 pd 1H J 44 73 | 40 39 m 2H | 36 35 dd 1H J 52 116 | 21 20 m 1H | 20 19 m 1H | 17 16 m 2H | 12 12 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1nc(-c2cc(Br)ccc2F)ccc1N
ir: 1 1 2 1 1 1 2 1 1 1 3 4 4 7 4 4 5 9 13 9 6 12 26 7 6 9 8 5 4 5 8 5 11 16 21 3 5 2 2 2 2 2 1 1 2 2 3 5 2 1 2 4 4 31 15 6 3 3 2 2 2 2 2 1 1 1 1 1 2 1 1 1 1 2 2 2 2 3 2 1 2 3 2 4 12 11 14 4 5 2 3 3 7 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 1 2 1 3 12 3 2 1 1 1 1 1 1 1 2 3 1 1 12 1 5 5 1 2 7 7 2 1 4 3 1 16 19 2 6 8 27 21 12 14 7 9 2 12 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 3 3 6 6 17 6 2 2 1 2 1 0 1 1 1 1 1 2 1 2 3 43 21 4 1 1 1 1 2 2 1 2 5 21 100 8 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H | 76 75 ddd 1H J 26 36 75 | 75 75 d 1H J 84 | 73 72 dd 1H J 74 101 | 71 71 s 2H | 58 57 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)Cl
ir: 3 5 1 4 5 5 8 2 3 4 10 13 5 2 1 3 2 3 3 4 4 3 8 9 3 2 1 2 1 4 5 4 2 1 1 1 2 5 6 3 2 2 2 1 0 1 0 0 1 1 1 1 1 2 4 10 2 9 7 4 2 2 2 2 9 9 18 15 6 3 2 1 1 2 3 1 3 1 1 1 1 0 0 0 1 1 3 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 3 2 2 9 8 8 2 2 6 5 1 2 6 7 8 5 13 12 5 7 13 16 3 5 9 6 4 4 11 7 22 4 3 7 23 3 3 3 2 1 1 1 1 1 8 4 3 6 36 100 9 12 18 8 2 0 0 1 1 1 10 3 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 2 3 1 4 3 4 4 3 1 2 2 2 9 12 2 10 26 12 7 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 90 | 69 68 dd 1H J 23 91 | 66 66 d 1H J 23 | 45 45 p 1H J 45 | 39 39 s 3H | 37 36 ddd 2H J 59 86 124 | 34 33 ddd 2H J 59 86 124 | 23 22 dddd 2H J 45 59 86 131 | 21 20 dddd 2H J 46 60 86 131 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2COCCOC2)c2sc(NC(=O)c3ccnc(N4CCCC4)c3)nc12
ir: 1 2 3 4 8 3 4 4 3 2 3 2 1 3 3 2 7 6 4 2 2 3 7 2 4 4 2 2 3 4 9 15 13 5 3 1 2 3 10 1 2 3 3 5 28 32 9 2 10 12 16 5 3 4 4 45 14 5 2 3 12 5 11 3 4 6 17 3 4 10 2 1 4 13 13 3 7 9 4 3 5 4 1 1 2 2 1 1 4 4 2 2 5 4 1 2 3 3 2 3 6 2 1 2 3 4 3 8 5 2 6 6 10 2 2 5 4 2 0 2 3 2 1 3 3 2 1 2 4 2 1 7 10 2 2 5 4 1 1 5 15 7 4 3 23 2 92 100 21 10 9 9 3 2 5 2 2 0 1 2 2 0 1 11 9 3 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 2 4 2 3 2 1 2 4 3 10 4 7 15 12 16 5 4 1 2 3 1 0 2 2 1 0 1 3 1 1 2 3 1 2 3 7 3 34 6 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 82 d 1H J 49 | 78 77 dd 1H J 22 49 | 73 73 m 1H | 72 71 d 1H J 21 | 70 70 d 1H J 90 | 40 39 dd 2H J 58 114 | 40 39 s 2H | 38 37 dd 2H J 58 114 | 37 36 m 5H | 37 36 s 3H | 37 36 m 1H | 35 34 m 1H | 21 20 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1[nH]c2cc(F)c(OC)cc2c1CCNC(C)=O
ir: 2 2 2 2 0 1 2 1 3 4 3 2 2 2 2 2 1 2 3 4 4 2 5 2 2 2 3 6 22 9 24 20 100 8 11 8 10 4 4 2 2 2 2 2 1 2 2 4 6 16 3 1 1 1 1 0 1 1 1 1 2 1 3 0 2 12 11 9 6 5 6 3 3 7 4 2 2 1 1 1 1 1 1 1 1 1 1 4 3 3 3 1 2 2 1 1 1 1 1 1 11 2 1 1 1 2 1 2 13 4 6 4 2 2 2 2 2 3 4 4 2 4 3 6 11 5 9 10 2 2 2 2 2 2 4 2 3 10 3 3 3 9 15 34 22 69 4 6 9 4 6 2 4 18 6 4 2 1 5 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 2 2 2 2 2 3 3 10 11 20 3 3 1 2 2 1 1 1 2 1 1 2 2 1 2 3 5 2 4 13 24 5 44 46 57 22 25 6 4 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 96 s 1H | 73 72 d 1H J 46 | 72 72 d 1H J 121 | 71 70 q 1H J 49 | 68 68 t 1H J 52 | 39 39 s 3H | 35 34 q 2H J 56 | 31 30 t 2H J 56 | 30 30 d 3H J 49 | 20 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O
ir: 3 3 3 11 4 3 4 4 3 6 6 4 3 9 6 10 12 8 9 9 100 44 5 7 4 4 6 5 4 4 4 4 5 4 13 4 5 0 35 7 8 63 5 4 4 6 10 5 5 5 4 4 12 7 7 10 14 4 5 3 3 4 7 3 4 6 3 3 4 6 3 3 4 4 5 4 6 21 17 40 9 5 5 8 6 11 10 7 4 4 4 4 3 3 4 4 4 4 7 4 5 7 4 3 3 3 4 3 4 3 4 4 5 13 13 7 3 4 4 4 3 4 9 9 4 6 6 5 3 8 11 37 74 4 2 5 5 4 6 7 4 4 3 5 79 4 5 10 10 7 5 4 7 7 68 8 5 2 3 11 4 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 5 5 4 3 6 8 21 44 12 5 5 4 4 6 4 2 8 93 17 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 93 93 s 1H | 79 79 dd 2H J 31 50 | 77 77 dd 2H J 31 51 | 74 74 m 2H | 71 70 m 2H | 58 57 d 1H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(CCC(=O)OC)cc1
ir: 2 9 7 2 2 5 4 4 5 3 7 19 6 5 4 8 31 18 9 2 1 1 1 2 4 1 1 1 3 2 1 8 8 5 2 2 3 6 5 17 16 4 4 17 10 5 9 7 4 16 17 19 8 22 54 17 30 15 10 7 6 9 6 7 4 27 92 29 6 1 3 5 3 3 4 5 1 1 12 1 2 2 2 4 19 4 8 15 8 3 27 2 5 3 0 9 4 10 9 8 6 6 10 26 100 81 27 17 10 6 7 9 6 6 9 4 6 5 6 5 5 6 17 7 10 10 14 13 9 3 2 4 2 3 2 2 2 1 1 1 1 2 5 22 24 21 15 5 3 4 7 19 18 26 6 2 2 1 1 5 1 1 2 2 1 0 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 1 0 1 0 0 1 1 1 0 1 1 1 2 3 3 3 2 2 2 1 2 2 6 7 12 10 47 39 30 6 2 6 2 4 2 2 1 1 1 0 2 2 1 1 2 2 4 5 19 93 45 37 10 3 2 2 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H | 79 78 m 2H | 78 77 m 2H | 75 74 m 2H | 72 71 m 3H | 40 39 dt 1H J 65 99 | 37 36 s 2H | 29 28 tq 2H J 9 81 | 28 27 td 2H J 10 82 | 20 19 dtd 1H J 66 90 136 | 17 16 dtd 1H J 64 89 135 | 15 13 m 1H | 14 12 m 3H | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=C)CCC=O
ir: 5 3 1 3 4 5 6 6 11 5 3 6 4 4 3 4 5 6 11 15 18 14 7 6 6 2 1 4 3 0 1 3 3 0 2 4 3 3 5 4 3 2 2 5 3 1 2 6 7 2 10 8 5 8 5 8 5 3 4 6 3 0 2 6 6 3 9 8 14 14 22 52 86 59 38 31 13 4 3 3 3 1 3 3 2 2 8 7 10 8 10 7 5 5 8 4 3 3 4 5 6 14 17 12 10 13 20 27 24 13 7 5 1 5 5 26 13 28 28 11 4 4 5 5 1 8 6 3 2 3 3 2 3 4 4 3 3 5 5 14 8 14 18 11 4 11 11 34 72 36 46 12 16 31 100 16 22 4 3 2 2 5 3 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 0 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 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 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 3 3 3 4 8 7 9 7 10 8 4 5 18 20 27 21 21 57 16 23 15 19 14 39 58 28 40 8 7 7 3 4 6 5 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 2 0; 1HNMR: 97 96 tt 1H J 11 41 | 63 62 ddd 1H J 10 114 175 | 54 54 dd 1H J 12 109 | 54 53 dd 1H J 11 176 | 51 51 m 1H | 49 49 d 1H J 9 | 25 23 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCOP(=O)(OCC=C)OCc1cocc1C=O
ir: 18 33 20 13 8 2 2 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 5 3 5 4 8 10 5 3 3 3 3 1 1 0 0 0 0 0 0 0 1 0 1 2 1 3 1 0 3 3 2 1 3 7 10 4 6 10 4 8 3 7 8 6 6 7 30 26 98 57 22 10 7 6 5 4 13 100 85 11 1 3 1 1 1 1 1 2 6 3 3 8 10 3 2 1 1 1 2 11 4 2 5 4 9 5 4 2 1 0 1 1 1 1 2 11 7 2 2 2 1 1 1 1 0 1 1 0 1 1 4 4 5 15 33 20 15 8 6 3 2 1 1 1 1 1 1 10 2 1 1 1 1 1 1 3 10 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 2 3 4 6 11 9 8 5 5 4 9 10 4 3 4 7 3 3 6 4 4 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 17 | 74 74 dt 1H J 9 17 | 55 54 ddt 4H J 14 55 84 | 52 51 dd 2H J 8 85 | 49 48 m 4H | 42 41 ddt 2H J 56 106 170
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCC(NC(=O)/N=c2\sc(C(C)(C)C)nn2C[C@H]2CCCO2)CC1
ir: 5 3 8 2 0 11 10 6 1 11 4 9 6 7 9 3 7 16 7 7 3 3 3 12 12 8 10 15 10 30 18 40 90 56 61 27 37 12 12 9 35 11 20 17 11 3 3 3 2 1 4 4 3 1 3 4 4 2 7 11 9 7 5 3 5 1 1 1 2 2 3 1 2 2 3 3 22 11 23 5 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 3 8 3 4 4 1 3 12 6 12 6 7 25 15 16 35 41 48 47 20 8 10 5 8 7 7 18 11 7 10 14 3 5 9 5 6 6 6 3 10 5 6 4 7 23 8 5 5 31 58 5 100 79 22 6 52 31 4 2 3 2 1 2 1 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 1 0 1 1 1 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 1 0 1 1 2 1 3 4 3 4 3 7 4 8 6 7 5 8 12 12 28 9 3 2 2 0 2 1 1 0 1 1 1 0 1 1 1 2 1 1 1 1 2 3 8 7 13 66 50 30 7 5 4 5 2 1 1 1 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 66 d 1H J 79 | 44 44 dd 1H J 34 104 | 43 42 tdt 1H J 17 34 42 | 42 41 dd 1H J 35 106 | 38 38 dddd 1H J 18 32 49 106 | 37 36 m 2H | 21 17 m 7H | 16 14 m 4H | 14 12 m 1H J 61 | 12 12 s 7H | 11 10 ddt 2H J 56 79 135 | 9 9 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCC1CCN2CCCCC2C1)c1cn(CC2CC2)c2ccccc12
ir: 14 5 2 5 4 12 49 18 58 9 20 5 30 7 7 13 4 4 7 3 4 86 30 10 3 5 3 3 3 5 6 4 5 4 7 4 19 13 9 1 5 67 95 28 9 4 6 4 6 5 4 0 5 1 2 1 1 2 1 4 7 2 3 4 2 2 22 10 9 27 3 3 5 13 71 30 22 14 5 6 10 65 11 7 10 26 9 10 19 42 13 13 25 72 9 14 15 25 18 10 5 12 10 39 8 7 16 21 9 17 8 7 5 5 5 9 5 3 24 12 34 10 28 33 60 80 100 30 25 8 6 4 5 2 4 6 16 7 16 4 3 1 1 2 14 8 8 8 14 48 15 31 17 18 4 16 7 4 2 0 2 23 3 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 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 0 0 0 1 1 1 1 1 1 1 1 1 2 1 3 5 6 14 9 6 6 2 8 14 16 21 49 40 30 88 53 23 64 67 9 9 17 4 5 5 3 2 1 1 2 1 2 1 1 1 1 1 0 0 1 0 0 1 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; 1HNMR: 81 80 dd 1H J 14 70 | 79 79 q 1H J 6 | 77 76 m 2H | 74 73 dd 1H J 15 64 | 44 43 dd 1H J 55 114 | 41 40 dd 1H J 53 114 | 40 40 dd 2H J 9 42 | 31 30 ddd 1H J 57 84 119 | 29 28 m 2H | 27 26 m 2H | 22 21 ttt 1H J 54 64 73 | 19 18 m 1H | 19 18 m 2H | 17 14 m 7H | 14 13 m 1H | 7 7 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)C=Cc2ccc3c(c2)OCO3)cc1OC
ir: 2 3 4 3 3 2 2 2 4 3 7 4 3 3 2 3 4 5 8 10 8 7 6 3 3 3 7 6 3 2 3 6 21 11 5 7 9 22 19 6 7 4 4 5 4 14 2 2 3 3 3 8 20 49 17 38 8 3 3 6 19 3 7 6 11 77 30 11 20 95 56 22 10 6 8 5 6 7 21 30 25 17 15 6 5 5 8 11 6 12 11 5 5 3 3 3 2 6 4 6 19 3 6 3 3 2 5 7 6 3 3 5 5 8 5 5 3 7 4 7 5 8 6 16 6 14 5 7 8 19 26 10 7 5 2 3 4 4 5 5 33 25 29 28 15 5 3 2 4 15 42 7 10 18 8 4 3 3 3 2 9 1 3 3 2 2 2 12 3 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 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 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 2 2 3 2 3 2 3 2 1 3 5 3 2 8 16 12 62 57 100 88 22 12 0 4 5 3 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 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 78 78 dd 1H J 7 156 | 77 76 dd 1H J 20 82 | 76 76 d 1H J 20 | 75 74 d 1H J 157 | 73 72 d 1H J 20 | 72 71 m 1H | 70 69 dd 2H J 70 83 | 60 60 s 2H | 39 38 d 6H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)S(=O)(=O)c1ccc(N)c(Cl)c1
ir: 3 12 11 9 13 10 3 6 4 1 3 4 14 2 2 2 1 2 2 1 1 1 1 1 1 1 5 1 1 1 1 1 1 2 3 8 8 6 5 2 1 1 1 0 1 1 1 1 1 1 1 0 1 2 9 8 1 2 2 1 5 6 3 1 3 7 3 5 8 1 1 1 1 1 1 1 5 4 2 1 1 2 13 3 4 9 4 8 27 6 11 6 5 2 0 1 1 3 1 8 8 1 1 1 1 1 0 1 1 1 0 1 1 1 0 3 4 1 1 1 2 1 1 7 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 4 2 1 2 3 6 23 9 2 3 2 2 8 4 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 6 8 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 4 23 1 0 1 1 1 0 1 2 3 3 40 100 3 1 2 1 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 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 76 76 d 1H J 22 | 75 75 dd 1H J 21 92 | 71 71 d 1H J 93 | 43 43 s 2H | 28 28 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(Cc2ccc(Br)cc2)CCC(=O)N1
ir: 4 3 5 2 21 2 3 5 4 5 100 10 15 3 0 3 5 5 3 6 4 22 4 11 9 64 5 25 2 1 1 4 15 4 3 3 2 1 1 3 2 3 2 13 10 2 2 3 3 1 2 5 2 0 5 8 7 1 2 3 2 3 2 5 6 3 1 1 2 2 1 2 2 5 3 2 2 4 7 2 1 1 1 2 1 2 5 2 1 1 2 3 2 10 3 3 10 5 2 4 1 1 4 2 1 1 2 1 2 3 2 7 12 20 29 18 7 6 4 1 2 3 4 9 7 9 13 4 2 5 2 5 5 5 5 1 1 1 2 1 1 1 2 4 4 38 21 5 2 2 3 7 15 83 49 24 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 6 6 2 2 2 2 1 2 12 15 7 31 17 7 4 5 5 2 2 2 3 2 2 1 1 1 1 1 1 1 1 1 2 3 7 16 10 27 16 19 7 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 m 2H | 73 72 dt 2H J 9 78 | 68 67 s 1H | 43 41 m 2H | 34 34 dt 1H J 8 141 | 31 31 dt 1H J 8 141 | 26 25 ddd 1H J 45 62 154 | 25 23 m 2H | 22 21 ddd 1H J 45 62 137 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2cccc(Cl)c2c2cc(CO)nn12
ir: 2 3 2 3 5 3 2 4 5 2 1 5 3 4 9 6 5 3 3 4 4 3 3 3 5 5 12 17 3 6 3 4 3 1 2 3 3 5 5 9 2 2 3 5 3 2 3 1 44 75 4 4 3 2 2 4 3 8 2 3 2 1 2 4 2 0 7 3 5 3 16 8 3 2 2 3 2 2 2 3 4 6 8 15 8 12 14 19 29 24 23 19 10 4 3 3 2 3 15 5 2 2 3 7 6 5 3 5 3 2 3 2 1 3 3 2 1 2 3 2 1 2 3 3 2 2 7 10 3 13 4 3 4 3 2 3 4 21 8 6 4 4 2 1 1 2 8 2 1 3 7 1 1 3 3 7 4 2 2 2 8 20 7 31 9 5 2 0 2 3 2 0 1 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 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 3 1 2 4 3 2 2 3 3 1 2 2 2 1 2 4 2 1 2 3 2 1 2 4 3 1 4 39 18 9 12 8 3 10 9 100 23 6 4 3 3 2 2 3 3 2 2 3 2 6 11 31 18 28 7 3 2 1 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 100 100 s 1H | 76 75 dd 1H J 13 77 | 74 73 t 1H J 79 | 73 73 dd 1H J 13 81 | 72 72 t 1H J 9 | 47 47 dd 2H J 9 51 | 35 35 t 1H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.