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C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1
ir: 6 4 5 4 8 7 5 2 1 3 3 3 4 5 2 4 4 5 6 5 6 4 6 9 8 13 18 16 3 8 16 8 2 4 3 2 2 3 4 3 2 3 2 1 1 4 4 3 5 7 24 9 25 57 23 5 4 2 4 5 5 3 2 2 2 2 1 2 2 1 2 5 11 8 3 3 2 1 2 2 5 3 2 2 3 3 3 2 3 3 3 2 1 6 9 3 1 2 5 4 100 5 0 2 9 6 5 4 6 6 3 7 5 3 3 2 2 2 1 2 3 2 3 4 14 5 8 4 6 11 7 2 2 1 2 2 4 5 2 11 6 11 3 27 3 3 4 11 32 11 2 11 6 0 5 30 32 13 15 14 3 2 2 22 4 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 2 2 1 1 1 1 1 2 1 2 2 3 2 2 2 3 2 3 4 3 8 5 4 4 2 1 2 1 2 1 2 1 1 2 2 2 1 2 3 3 10 17 85 11 84 16 5 4 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 2H J 141 | 84 84 s 1H | 79 79 s 1H | 67 67 d 1H J 73 | 61 60 s 1H | 57 56 dq 1H J 66 75 | 20 20 d 3H J 66 | 19 18 pd 1H J 7 51 | 11 10 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)CN1CCC(c2ccc(Br)cc2)C1
ir: 9 6 4 2 2 2 1 1 0 3 6 11 6 5 47 49 2 2 2 3 2 8 9 5 1 1 0 2 1 0 0 1 2 23 7 2 2 2 1 1 1 1 1 6 7 2 2 3 2 3 6 5 18 38 31 38 4 0 6 1 3 2 5 2 3 3 3 4 8 5 1 3 7 13 6 2 1 2 4 32 37 61 100 39 5 8 5 8 7 15 48 11 13 15 16 10 1 4 3 4 7 13 11 6 5 27 35 18 4 4 9 5 4 3 6 1 8 8 9 5 2 9 8 12 3 1 1 1 2 3 2 1 2 2 1 1 1 0 0 0 1 0 0 1 10 12 24 8 5 1 1 2 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 2 3 5 5 2 3 2 7 4 5 4 13 7 27 51 18 12 4 6 4 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 2H | 72 71 m 2H | 33 32 m 3H | 32 31 ddt 1H J 26 37 46 | 31 30 m 2H | 29 28 ddd 1H J 44 62 118 | 22 21 ddt 1H J 45 62 127 | 19 18 ddt 1H J 44 64 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(=O)N=C(C)N(C)C)cc1Cl
ir: 2 4 4 3 5 6 14 3 5 9 6 3 3 4 6 2 3 2 4 2 1 2 2 0 0 1 1 1 0 1 6 10 1 2 1 2 3 6 3 1 1 2 3 3 3 7 27 2 1 2 1 0 2 11 2 16 1 3 1 1 3 2 1 0 2 2 10 11 8 7 2 1 2 4 7 1 1 2 1 1 2 2 1 3 2 2 1 2 2 5 3 8 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 11 3 2 0 1 4 4 5 2 6 3 11 5 9 3 3 4 6 4 15 5 8 3 3 3 7 4 9 11 6 4 1 5 6 15 100 7 6 2 16 61 7 8 22 2 5 3 1 3 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 3 2 4 3 5 9 25 8 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 d 1H J 81 | 80 80 d 1H J 22 | 78 78 dd 1H J 22 81 | 39 39 s 3H | 30 30 s 6H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCOc1ccc(C=[N+]([O-])C(C)(C)C)cc1
ir: 5 2 1 3 3 2 1 3 1 1 0 1 3 2 5 3 3 2 0 1 1 1 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 5 2 3 4 6 3 5 5 2 6 37 6 8 5 10 61 11 6 2 3 1 5 3 6 4 1 3 3 1 8 8 2 1 1 2 3 2 1 2 3 2 1 1 1 0 1 1 4 9 7 2 2 2 4 2 1 0 1 2 2 0 2 5 29 5 2 1 2 6 12 9 4 2 3 2 1 2 6 3 13 10 5 10 6 3 4 5 8 4 6 5 5 4 1 2 1 1 1 1 1 1 1 1 3 8 5 3 2 5 9 3 18 9 9 4 2 1 1 1 0 0 1 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 3 6 3 2 2 2 1 2 5 11 20 56 8 6 100 27 1 5 4 2 1 1 2 1 0 1 2 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 1 0; 1HNMR: 79 78 m 3H | 70 69 m 2H | 36 35 t 2H J 58 | 18 17 tt 2H J 57 74 | 16 16 s 8H | 15 14 m 5H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(OCC)nc(N)n1
ir: 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 5 6 6 9 3 4 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 3 7 3 2 2 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 13 9 4 3 2 2 2 2 1 1 4 4 100 3 0 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 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 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 4 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 7 2 2 2 2 2 2 2 2 2 2 2 14 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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; 1HNMR: 63 63 s 2H | 55 54 s 1H | 44 43 q 4H J 67 | 14 14 t 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(CN)CC2CC2)c(C)n1
ir: 0 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 4 4 3 2 1 1 3 4 5 1 2 1 1 1 1 2 2 2 2 2 23 5 24 2 2 7 3 3 2 1 1 1 2 4 2 0 4 17 6 16 5 2 7 32 46 49 28 10 7 9 8 10 21 35 27 17 3 3 2 6 10 4 2 1 5 18 2 3 2 5 8 4 5 1 2 2 2 2 1 2 2 1 2 2 1 2 1 1 2 1 1 1 1 1 2 1 1 2 2 3 7 3 7 6 6 14 8 10 14 15 6 5 3 5 7 3 21 16 23 13 19 1 23 23 8 3 3 3 2 3 10 6 5 3 19 27 4 2 2 1 2 4 7 11 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 2 0 0 1 1 0 0 1 1 0 1 3 2 1 2 1 2 1 2 2 2 3 6 7 7 8 9 9 16 12 29 4 2 6 3 2 2 1 2 3 3 2 15 33 11 35 11 7 8 1 8 69 100 7 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 71 dd 1H J 7 79 | 70 70 m 1H | 32 31 m 1H | 30 29 m 2H | 25 24 m 5H | 20 19 dt 1H J 69 136 | 18 17 dt 1H J 68 136 | 16 16 t 2H J 61 | 13 12 m 1H | 6 5 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccn(C)n2)c1=O
ir: 2 6 23 5 2 6 12 6 2 3 5 5 5 9 4 3 4 5 8 7 3 10 11 15 10 6 7 22 14 7 17 24 10 27 29 31 28 28 57 41 27 27 20 21 10 16 10 12 16 39 69 54 23 6 7 2 7 17 7 3 4 20 9 4 7 7 3 7 14 11 11 3 17 9 4 3 4 5 3 2 3 4 3 4 6 5 3 2 4 3 1 2 4 5 6 12 16 9 5 4 4 3 1 2 3 3 1 8 10 7 4 6 4 12 13 10 12 15 11 15 8 49 14 12 9 7 5 32 13 16 12 10 7 4 22 45 65 75 11 15 97 10 60 18 8 12 9 7 8 25 14 18 25 20 28 13 41 24 3 2 96 2 1 6 100 4 4 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 3 1 1 3 2 1 1 3 3 1 3 5 6 3 2 4 3 2 3 5 3 2 4 11 19 14 18 14 38 37 26 15 14 22 21 9 10 3 3 5 4 2 3 3 2 2 3 3 4 6 7 9 8 32 95 81 46 18 7 7 4 5 4 3 2 2 3 2 2 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 87 87 s 1H | 80 79 m 2H | 76 75 m 2H | 75 74 m 1H | 73 73 m 1H | 62 61 d 1H J 31 | 41 40 q 2H J 79 | 39 38 d 3H J 7 | 25 25 s 3H | 14 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(=O)C(c2cccc(Cl)c2)C(=O)C1
ir: 2 3 4 2 1 1 1 1 1 4 1 1 1 1 3 1 2 2 13 6 16 3 28 0 1 3 2 1 1 4 4 30 13 3 2 1 1 2 1 1 1 1 3 3 2 3 49 18 4 3 2 2 1 9 9 2 6 2 2 2 2 3 2 3 2 5 7 2 3 2 1 1 1 1 1 1 1 7 1 1 2 2 1 2 1 2 4 48 3 3 3 2 2 3 8 3 2 3 10 2 2 2 0 1 2 1 0 1 2 3 2 1 2 1 0 1 2 1 2 2 10 12 6 34 4 1 0 1 2 2 3 9 6 2 2 2 3 2 7 14 9 1 6 31 100 14 7 4 2 2 2 3 1 2 15 2 2 1 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 3 3 2 2 4 7 11 2 2 3 3 5 5 12 11 2 41 32 25 7 3 1 2 3 3 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 1H | 74 72 m 4H | 46 46 d 1H J 8 | 25 25 s 4H | 10 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(c2ncnc3cc(OCCOS(C)(=O)=O)ccc23)CC1
ir: 17 7 29 19 15 32 9 7 10 17 10 14 4 11 16 10 10 10 9 17 3 11 5 3 4 5 8 2 8 27 11 28 6 7 5 4 2 6 11 2 6 3 6 1 3 5 6 6 7 11 76 13 10 13 4 3 7 7 8 9 8 6 7 3 8 6 19 72 68 76 34 16 13 15 27 19 8 10 5 4 5 4 2 4 20 23 53 98 100 28 21 12 3 10 8 8 14 15 4 5 12 16 67 7 14 9 16 5 7 7 17 22 19 16 16 4 7 8 10 16 17 39 39 30 12 3 5 16 11 5 12 11 10 9 12 10 9 11 21 8 26 38 11 5 2 3 2 2 3 5 8 63 7 3 3 10 17 16 4 4 3 1 2 3 3 4 19 4 2 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 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 2 3 5 16 5 3 3 5 3 7 5 4 5 8 6 13 52 42 22 20 23 27 19 10 3 4 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 91 91 s 1H | 82 81 d 1H J 93 | 73 72 d 1H J 22 | 70 69 dd 1H J 21 93 | 43 43 m 2H | 43 42 td 2H J 8 56 | 40 39 ddd 2H J 66 93 123 | 37 36 ddd 2H J 68 95 123 | 33 32 p 1H J 55 | 30 30 s 3H | 22 21 dddd 2H J 56 67 95 141 | 20 19 dddd 2H J 56 67 95 141 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1nc(N2CCOCC2)cc(=O)n1C1CC1)N1CCc2c(Cl)cccc21
ir: 8 4 3 2 2 2 2 3 1 3 5 7 3 9 2 10 9 24 11 17 7 5 1 2 3 4 6 6 7 5 12 5 6 5 18 3 8 8 9 8 12 13 12 13 11 3 29 9 100 0 5 11 6 10 17 8 8 1 4 6 2 0 4 8 13 20 67 64 13 3 5 4 5 4 9 20 1 5 3 6 4 4 2 1 2 6 15 7 44 7 6 2 6 4 6 3 3 5 11 5 9 4 7 4 2 5 2 7 1 9 2 10 5 6 2 2 2 1 3 4 2 5 5 2 3 4 2 9 28 12 13 6 7 7 10 9 10 13 9 17 9 8 7 16 10 15 88 20 20 20 91 12 5 4 7 3 5 5 7 4 17 23 38 69 20 5 3 1 1 1 1 1 1 1 1 0 0 1 1 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 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 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 3 2 3 8 6 3 2 3 17 8 12 16 4 21 23 37 30 21 8 10 5 3 2 1 1 1 2 1 2 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 dd 1H J 15 73 | 72 72 dd 1H J 15 82 | 72 71 dd 1H J 74 82 | 50 49 s 1H | 44 43 p 1H J 56 | 42 41 t 2H J 46 | 39 39 s 2H | 37 36 m 8H | 31 30 m 2H | 13 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.
COc1ccc(Sc2ccc(CNC(=O)c3cccnc3N)cc2)cc1
ir: 12 6 6 17 13 6 7 8 5 18 16 13 10 12 13 19 17 28 32 19 17 12 19 9 5 4 3 6 7 3 6 7 3 2 4 4 5 5 23 20 17 9 5 34 74 40 11 5 5 32 10 7 7 10 23 32 10 8 7 6 6 6 4 15 2 4 4 4 6 4 6 2 3 4 4 6 6 12 14 13 5 8 5 3 3 2 6 11 4 5 6 4 8 8 2 2 3 10 6 2 3 3 4 3 3 2 1 2 3 2 1 2 6 3 2 2 2 3 6 6 5 5 2 7 15 5 4 4 5 11 4 3 3 2 2 3 4 3 54 7 6 3 17 39 9 39 93 20 20 58 29 35 84 11 18 16 85 12 16 56 11 2 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 3 2 2 2 1 3 3 3 8 9 11 25 31 19 22 5 3 6 4 3 4 2 2 2 2 2 3 3 4 10 80 18 3 3 3 12 27 14 8 2 1 13 53 100 12 1 2 3 2 1 2 2 2 1 2 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 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; 1HNMR: 82 82 dd 1H J 21 43 | 80 80 dd 1H J 21 80 | 78 78 t 1H J 57 | 73 73 m 6H | 72 71 dd 1H J 44 79 | 69 69 s 2H | 69 68 m 2H | 45 45 dt 2H J 8 57 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CCc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ccn3)c2C1
ir: 2 6 5 3 1 3 6 6 4 4 4 4 4 5 1 8 6 7 10 3 2 4 3 9 15 13 3 5 1 3 3 6 7 9 42 10 6 2 6 2 5 4 3 7 6 4 12 4 3 7 4 2 3 2 14 25 13 3 4 2 1 0 2 3 6 10 9 17 17 9 5 3 2 7 11 6 3 4 1 2 3 3 8 3 14 28 27 13 3 2 10 5 2 4 5 3 4 4 10 36 20 4 2 1 0 1 1 2 5 5 9 19 35 13 6 5 4 4 3 3 2 4 5 7 8 4 4 3 5 3 2 6 9 6 2 1 1 2 8 1 1 1 4 5 7 6 41 13 12 21 7 21 3 7 10 11 4 10 9 10 34 3 1 2 7 15 2 0 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 3 2 3 1 3 2 1 4 7 7 0 25 46 39 14 4 7 6 1 8 51 8 3 2 2 2 2 2 2 1 2 2 4 3 4 10 16 16 100 21 19 3 4 1 2 2 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 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; 1HNMR: 84 83 s 1H | 83 82 dt 1H J 9 47 | 78 77 m 2H | 77 76 dq 2H J 14 110 | 74 74 q 1H J 22 | 74 74 s 1H | 72 71 m 1H | 69 68 dd 1H J 12 82 | 68 68 dq 1H J 10 77 | 40 39 ttd 1H J 49 56 64 | 34 33 d 1H J 49 | 31 30 dd 1H J 64 170 | 29 28 dddd 1H J 8 63 90 143 | 28 27 m 2H | 21 20 dddd 1H J 56 63 90 135 | 19 18 dddd 1H J 57 64 92 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(C2(Cn3ccnc3)CO2)c(Cl)c1
ir: 10 3 7 6 5 6 3 4 7 10 2 6 15 19 3 1 3 4 2 1 1 0 1 2 3 2 1 1 1 1 1 6 7 35 49 20 9 5 8 22 23 4 10 33 44 7 2 5 2 3 2 3 4 2 27 29 3 4 1 1 1 0 1 1 2 7 18 17 10 5 4 7 2 0 2 5 7 7 16 12 7 11 17 35 17 20 15 24 13 9 7 7 4 11 42 29 19 31 8 3 1 1 2 2 11 7 4 8 3 6 4 2 4 3 4 3 4 4 4 5 0 3 6 20 23 2 3 5 12 4 2 3 1 3 2 1 3 2 2 2 5 11 2 0 1 1 3 2 10 4 3 4 20 2 2 5 18 18 5 4 8 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 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 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 1 2 1 0 1 3 5 4 3 9 11 4 4 7 5 5 78 81 80 100 77 43 21 5 4 1 1 1 2 1 1 1 1 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 tt 1H J 9 17 | 73 73 d 1H J 20 | 72 72 dd 1H J 21 85 | 72 71 m 2H | 70 70 dd 1H J 17 30 | 46 46 dt 1H J 8 132 | 44 43 dt 1H J 9 133 | 43 42 d 1H J 33 | 40 40 d 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(C(=O)CCl)CC1
ir: 11 6 0 5 8 4 0 5 10 6 10 10 8 4 7 19 17 6 4 9 15 4 3 5 6 3 3 7 16 19 38 31 17 13 22 11 8 6 4 6 6 3 9 15 10 10 11 7 4 2 3 6 4 1 4 7 5 4 10 9 4 1 4 8 6 5 7 10 5 3 6 7 3 2 10 11 11 1 10 32 100 14 6 11 15 16 13 7 4 9 8 6 3 4 5 6 16 18 12 6 16 14 11 11 7 7 8 5 2 4 7 4 5 6 8 5 10 10 15 6 3 11 21 18 22 9 9 7 7 9 13 16 11 6 10 12 12 6 6 4 4 5 5 3 5 10 16 51 30 7 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 3 1 4 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 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 5 4 2 3 5 4 2 3 5 4 3 4 7 5 3 6 8 6 6 5 7 5 2 4 12 14 16 6 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2; 1HNMR: 43 43 s 2H | 35 35 m 4H | 25 25 s 3H | 25 24 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CSc2cccc(N)c2)cc1
ir: 15 35 8 12 6 10 2 3 3 2 1 2 2 2 5 2 11 9 4 1 2 1 1 2 2 1 1 2 2 1 2 2 3 1 1 3 1 1 1 1 2 1 1 1 2 2 2 6 3 1 1 1 1 1 2 3 7 6 2 1 1 0 1 1 1 2 1 3 2 0 1 1 1 0 1 3 1 1 3 5 3 1 2 1 1 0 1 13 1 2 2 2 0 0 1 1 0 0 2 1 1 1 1 1 0 1 1 6 1 1 1 1 1 1 1 7 1 2 2 1 1 2 1 1 1 5 3 1 0 1 1 0 0 1 1 0 0 1 1 0 6 1 2 7 2 2 1 1 1 5 2 2 3 17 4 5 5 2 1 1 1 10 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 0 1 1 1 1 2 2 4 5 22 7 3 1 2 1 1 1 1 1 1 1 1 0 0 1 1 3 14 25 1 1 1 0 0 1 1 0 1 8 100 10 2 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 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 m 2H | 74 74 dp 2H J 9 74 | 72 71 t 1H J 75 | 71 70 ddd 1H J 12 21 73 | 68 67 t 1H J 21 | 66 66 ddd 1H J 12 22 77 | 43 42 d 2H J 9 | 41 40 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2
ir: 7 9 4 3 1 2 5 1 7 2 3 2 2 3 10 3 3 3 18 10 2 5 4 3 4 5 3 3 4 3 5 4 2 4 2 6 8 5 28 90 11 8 4 0 2 7 5 3 1 4 2 0 1 4 3 1 3 7 2 1 3 3 3 1 3 3 5 4 3 6 2 4 2 3 1 1 3 3 2 2 3 3 5 49 5 4 3 2 20 6 2 2 4 5 3 1 6 7 2 7 4 7 3 3 3 5 3 4 4 2 3 13 3 5 4 17 7 4 1 4 8 6 10 8 11 8 6 9 6 5 6 5 3 1 3 10 28 4 8 2 3 9 2 2 2 1 1 2 3 1 1 8 23 4 2 2 2 1 4 31 95 5 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 4 4 3 6 5 3 2 3 4 3 1 21 8 6 8 4 3 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 8 100 4 2 1 1 2 2 1 1 2 2 2 3 28 99 10 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 76 dd 1H J 22 121 | 72 71 m 3H | 45 45 d 2H J 7 | 44 43 p 1H J 59 | 28 27 m 3H | 26 25 ddd 2H J 55 82 120 | 22 19 m 6H | 19 17 m 4H | 17 16 tddd 2H J 29 67 106 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1nc2cc(C(=O)Nc3nccs3)ccn2c1COC1CCCCC1
ir: 1 2 2 2 1 2 3 1 3 3 6 4 3 2 3 2 1 2 2 4 3 4 8 14 22 6 5 5 4 2 1 3 3 3 2 1 2 2 3 3 2 14 27 52 11 53 11 8 8 14 13 12 3 0 6 4 9 3 4 2 4 6 2 2 3 3 5 3 5 4 2 3 3 7 12 18 3 1 4 4 3 3 2 1 5 8 1 3 1 2 1 2 1 2 2 2 3 4 9 2 2 2 2 1 2 3 3 3 3 5 5 10 5 4 6 5 5 3 2 4 3 3 4 3 3 4 3 2 2 2 4 2 2 3 6 3 2 2 2 3 2 7 22 64 65 27 13 100 19 4 6 5 14 3 2 2 2 3 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 2 2 1 4 3 2 1 3 3 4 3 12 13 18 9 13 28 30 16 11 2 3 3 2 1 1 2 2 2 2 2 3 2 2 2 4 3 7 9 62 10 9 4 2 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 d 1H J 79 | 79 79 d 1H J 17 | 76 75 m 2H | 73 73 d 1H J 44 | 48 48 s 2H | 39 38 p 1H J 45 | 32 31 hept 1H J 64 | 18 16 m 4H | 16 14 m 7H | 14 13 d 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)N2CCC3C(C#Cc4cccc(Cl)c4)=NOC32)nn1C
ir: 2 1 1 3 3 2 1 9 6 2 3 2 2 2 3 3 7 11 7 12 2 2 1 2 2 2 3 2 2 4 2 2 2 2 2 2 2 2 5 3 4 7 7 11 5 10 37 11 15 7 4 2 2 1 2 2 2 2 3 3 5 13 3 3 2 2 7 10 3 4 2 2 1 1 2 7 10 6 4 2 2 6 3 2 1 1 2 3 6 7 4 2 1 2 12 5 5 2 3 2 1 2 8 8 4 8 6 2 2 2 5 5 6 13 1 6 2 10 4 4 5 5 3 3 15 11 4 4 12 10 97 13 3 2 2 14 2 2 2 3 10 15 6 2 1 1 2 2 2 1 1 5 3 32 9 0 2 49 2 3 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 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 2 1 2 2 2 2 2 2 3 3 5 3 3 4 5 9 7 4 8 11 6 100 33 24 11 8 2 1 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 t 1H J 21 | 75 74 ddd 1H J 14 22 68 | 74 73 ddd 1H J 14 21 71 | 73 73 t 1H J 69 | 61 60 s 1H | 60 60 d 1H J 48 | 40 39 ddd 1H J 48 66 123 | 38 37 ddd 1H J 48 66 123 | 38 37 s 2H | 36 35 dt 1H J 31 46 | 25 24 dddd 1H J 31 48 66 114 | 23 22 s 3H | 22 22 dddd 1H J 31 48 66 113
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
ir: 0 1 1 1 1 1 1 3 3 4 6 8 7 4 1 2 1 3 4 14 26 21 13 9 4 2 1 1 1 0 0 0 0 0 1 1 3 3 1 1 2 1 2 1 1 1 1 1 0 0 0 1 1 5 13 11 1 1 1 1 0 0 0 0 0 0 1 4 5 1 0 0 0 1 1 1 3 10 9 35 6 1 2 1 1 2 3 4 2 2 9 2 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 1 1 2 3 4 5 5 7 12 6 3 2 2 1 0 0 0 0 0 0 0 0 0 0 0 9 3 4 2 8 3 1 1 2 5 3 0 1 1 2 2 1 2 2 1 3 2 2 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 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 1 0 1 1 0 1 2 1 0 1 1 1 7 3 4 7 18 9 2 1 2 1 3 3 2 44 100 14 5 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 22 | 84 83 dd 1H J 21 72 | 77 77 d 1H J 71 | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(-c2ccc(C(F)(F)F)cc2)cn2nc(-c3ccco3)nc12
ir: 3 3 2 2 4 10 10 9 1 4 2 3 3 2 1 2 5 5 5 4 5 5 10 17 2 14 3 5 2 6 4 2 4 2 3 1 2 1 2 1 1 1 2 1 3 2 1 2 1 1 2 0 6 2 2 27 12 2 1 1 1 1 1 2 3 5 4 2 1 1 2 1 1 1 1 0 1 1 2 1 1 2 10 2 1 1 3 3 2 2 5 3 2 1 1 1 1 2 0 7 7 1 1 1 1 2 4 1 2 5 4 2 23 4 0 1 1 1 1 2 1 1 1 2 1 5 3 3 4 25 6 3 6 3 3 2 4 5 1 8 4 3 2 1 1 2 3 4 4 9 13 10 16 50 31 5 3 1 1 5 5 1 1 1 7 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 2 3 10 10 23 3 2 9 5 2 1 1 1 1 1 1 1 1 1 1 2 1 15 11 2 2 1 1 1 1 1 1 1 2 4 100 6 2 2 0 0 1 2 0 1 1 1 0 1 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 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 80 m 3H | 80 79 m 1H | 77 77 dq 2H J 14 104 | 74 74 s 2H | 73 72 dd 1H J 18 66 | 68 68 dd 1H J 13 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](O)c1nccs1
ir: 8 5 14 21 9 23 7 6 8 13 7 28 25 6 6 6 8 5 4 10 15 4 8 9 7 4 4 5 5 3 8 4 7 15 100 67 37 13 8 6 4 1 5 39 9 3 8 11 12 5 10 12 7 11 6 9 7 2 12 16 16 14 16 10 4 10 20 19 10 21 11 21 15 3 11 12 8 9 7 26 24 21 17 9 9 17 15 38 36 56 97 99 18 36 15 45 53 56 13 24 31 45 60 38 21 54 31 10 7 14 28 16 7 11 18 33 14 45 62 27 25 20 27 8 5 7 25 12 9 8 10 66 56 25 7 5 1 6 11 27 6 12 13 24 24 10 27 15 3 5 4 1 2 5 3 1 2 3 3 1 2 4 3 1 3 4 2 0 2 4 2 0 2 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 0 2 3 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 2 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 4 5 2 2 3 4 2 2 4 4 2 3 4 3 2 4 4 4 5 9 10 8 9 7 12 21 6 19 11 46 34 41 25 36 74 34 26 51 44 43 18 7 1 11 38 11 10 32 53 29 30 29 19 9 7 6 4 11 35 22 38 31 10 7 6 5 3 5 4 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 77 d 1H J 46 | 75 75 dd 1H J 16 60 | 73 73 d 1H J 48 | 70 69 m 2H | 52 51 dd 1H J 44 55 | 49 49 d 2H J 64 | 41 41 dtd 1H J 55 68 81 | 41 40 tt 1H J 53 65 | 38 37 d 1H J 44 | 32 32 ddd 1H J 7 53 159 | 30 29 m 1H | 27 26 dd 1H J 48 59 | 18 16 m 2H | 16 15 ddd 1H J 69 87 127 | 10 9 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)CCCCC(F)(F)F
ir: 23 11 10 21 10 11 5 4 3 4 5 6 8 10 4 3 1 4 4 1 1 2 2 2 1 2 3 1 1 4 3 2 3 3 3 6 6 5 11 6 9 9 9 5 11 16 8 11 6 4 7 1 2 4 2 2 3 4 1 0 2 4 2 1 2 2 1 0 2 4 2 1 1 2 1 1 2 2 1 3 5 7 15 17 9 3 2 2 9 28 26 12 21 19 12 8 6 9 3 16 18 48 43 26 23 25 22 16 7 11 15 10 33 36 19 44 18 41 25 48 100 43 7 9 9 6 5 4 5 20 9 12 10 9 15 26 44 28 10 9 7 4 2 2 3 1 1 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 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 3 2 2 4 3 2 3 12 10 20 10 11 4 3 5 6 14 35 23 15 8 3 2 3 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 29 28 t 2H J 79 | 25 23 qt 2H J 76 141 | 18 17 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2c(Cl)c(O)ccc2n1CC(F)(F)F
ir: 4 1 1 1 2 3 2 1 4 4 3 1 1 3 3 1 2 1 1 2 2 2 2 2 12 5 5 1 2 2 8 1 2 1 3 4 1 2 1 1 1 1 1 1 1 1 1 1 1 2 4 2 1 3 21 5 2 1 1 1 1 1 1 1 1 1 1 1 2 7 1 2 1 1 1 1 1 2 12 3 1 1 1 1 2 1 5 35 21 8 28 3 2 1 1 2 2 2 2 5 2 17 2 1 1 7 3 1 2 2 8 1 4 3 1 3 4 2 2 7 5 3 2 2 3 7 2 2 2 1 2 3 1 1 1 1 1 1 1 4 1 3 4 7 4 1 1 0 0 32 0 2 1 2 3 1 1 0 9 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 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 0 6 5 2 10 9 9 3 3 2 4 10 100 40 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 s 1H | 74 73 d 1H J 86 | 73 73 s 1H | 69 69 d 1H J 86 | 44 43 q 2H J 119 | 43 42 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2cccc(CNC(=O)c3oc4ccccc4c3C)c2)ccc1CCC(=O)O
ir: 1 2 2 5 3 2 7 4 6 6 14 7 7 10 0 11 5 10 21 36 62 61 37 16 18 8 12 17 28 14 5 6 6 2 4 3 3 2 2 5 7 7 50 30 16 8 21 16 9 3 7 4 7 10 12 4 5 1 2 2 2 1 2 3 4 5 4 7 8 8 14 7 6 5 4 24 19 23 19 9 18 9 5 6 8 8 8 9 3 11 7 3 8 4 6 2 7 6 4 5 5 2 3 3 1 2 2 1 1 2 4 10 5 2 4 3 5 11 4 4 20 8 10 12 10 6 3 2 1 3 10 4 4 5 4 4 12 19 4 7 17 16 28 32 9 10 5 9 10 31 5 8 21 29 4 4 2 2 1 1 2 7 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 2 2 4 3 1 1 2 3 3 3 11 17 10 21 100 42 13 4 3 3 2 1 1 3 4 4 2 2 2 1 1 1 1 2 2 3 6 17 23 23 7 3 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: 78 77 dd 1H J 14 92 | 76 76 t 1H J 55 | 75 75 dd 1H J 15 67 | 74 73 ddd 1H J 14 67 90 | 73 72 m 2H | 72 71 dtd 1H J 9 20 79 | 70 69 m 2H | 69 69 tt 1H J 9 22 | 68 68 dd 1H J 22 86 | 67 67 m 1H | 45 44 dt 2H J 9 55 | 30 29 td 2H J 9 88 | 27 26 t 2H J 86 | 26 25 s 2H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CI)c1ccccc1
ir: 2 2 3 2 0 2 2 1 0 4 4 4 16 11 20 5 1 7 3 3 5 15 36 18 3 4 8 5 35 15 18 14 4 35 58 100 75 18 27 22 15 19 20 9 6 10 4 2 6 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 2 5 5 13 4 3 2 6 5 3 3 1 23 14 17 3 2 2 2 3 3 1 1 2 1 1 1 10 6 10 8 4 6 8 9 6 2 0 1 1 2 1 2 2 3 4 21 49 10 3 4 2 6 8 11 7 14 13 40 58 22 8 6 4 5 6 5 3 9 16 9 5 3 2 17 66 53 47 58 42 51 22 9 3 6 5 1 2 3 2 1 2 2 2 5 2 3 1 2 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 1 1 1 1 2 1 1 1 1 3 5 7 9 5 5 4 8 1 10 67 21 97 56 78 69 45 14 22 11 18 5 5 7 4 4 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 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 0 1 1 1 1 1 1; 1HNMR: 79 79 m 2H | 76 75 m 1H | 75 75 m 2H | 45 45 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc2c(cc1O)C1CCCCC1C(c1ccc(O)cc1)C2
ir: 3 4 2 3 4 2 5 4 3 3 3 4 3 2 3 3 6 6 3 3 2 2 2 3 3 3 2 3 11 2 6 2 2 2 3 6 2 3 4 3 2 1 1 2 2 1 2 2 2 1 2 3 2 3 48 34 5 2 2 4 1 1 2 2 2 1 6 9 13 7 4 3 4 1 2 2 3 10 5 7 20 14 19 6 7 7 23 6 2 2 32 2 2 2 10 3 3 3 2 3 1 3 3 3 2 2 4 2 6 2 4 4 2 3 3 2 2 2 4 5 2 5 3 3 2 2 8 6 6 5 2 2 2 2 2 4 2 10 4 2 1 1 2 1 2 6 2 2 30 4 4 2 10 2 3 34 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2 1 2 3 4 1 3 2 2 2 3 3 3 2 3 3 3 3 4 9 6 4 18 60 21 2 3 5 2 0 8 100 28 4 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 d 1H J 9 | 76 76 s 1H | 71 70 m 2H | 68 68 d 1H J 6 | 67 67 m 2H | 33 32 m 2H | 31 30 ddd 1H J 8 69 145 | 26 26 s 2H | 25 24 ddd 1H J 46 53 79 | 21 20 dddd 1H J 52 62 88 130 | 19 18 tt 1H J 51 80 | 18 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(CNC(=O)c2cccc3ccn(Cc4ccc(Cl)cc4)c23)c(Cl)c1
ir: 0 1 2 1 0 1 1 4 0 1 4 2 1 6 3 5 6 3 3 1 3 39 3 5 3 2 3 1 2 3 2 1 10 1 5 4 7 10 4 3 2 11 2 1 1 1 1 7 8 4 1 2 3 1 3 9 7 2 1 1 1 1 1 1 0 0 2 10 6 2 1 1 0 0 1 4 14 7 4 22 2 1 1 1 1 1 2 2 1 1 1 1 1 4 41 6 2 1 0 1 1 2 1 3 7 1 0 1 1 1 0 4 2 1 0 2 15 1 1 1 2 1 3 4 2 1 4 2 1 1 1 1 1 0 1 1 5 1 1 3 14 2 3 13 14 12 6 4 5 2 3 4 4 2 1 1 1 0 1 4 1 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 2 3 6 8 38 20 7 3 13 2 1 1 2 5 100 2 0 1 1 0 0 1 1 0 0 1 2 7 12 5 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 79 78 dd 1H J 22 82 | 78 77 dd 1H J 13 73 | 76 76 t 1H J 57 | 75 74 t 1H J 73 | 74 73 m 2H | 73 72 dt 2H J 9 77 | 71 71 m 2H | 66 65 dt 1H J 7 50 | 55 54 q 2H J 9 | 47 47 dd 2H J 9 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C(=C/c1ccc2c(c1)OC(C)(C)O2)C(=O)OC(C)(C)C
ir: 13 12 4 5 7 3 12 19 22 16 8 17 2 2 1 2 3 2 1 3 3 2 2 1 18 2 2 2 44 18 2 13 4 16 55 31 14 9 10 0 3 8 2 2 6 6 4 2 1 1 1 1 2 9 19 17 4 3 1 7 2 4 12 2 4 6 5 7 6 3 3 2 2 2 31 6 5 9 3 2 1 1 1 0 1 1 3 8 6 7 2 1 3 3 6 76 11 9 3 3 26 20 7 22 6 13 4 2 30 8 2 1 1 2 3 6 11 6 14 16 13 22 1 15 4 27 35 31 31 11 11 13 2 1 1 2 1 1 2 3 4 12 8 100 18 4 3 4 12 49 87 47 10 3 3 3 3 4 6 2 1 0 1 1 1 3 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 0 1 1 1 1 1 2 5 8 7 3 1 1 0 2 2 4 1 4 5 7 39 56 25 24 12 42 8 18 4 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 s 1H | 73 73 d 1H J 20 | 71 71 dd 1H J 19 80 | 70 70 d 1H J 81 | 38 38 s 3H | 17 17 s 6H | 15 15 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)CSC
ir: 0 17 33 15 1 18 32 14 4 40 42 55 9 21 33 12 4 22 28 12 6 23 27 9 6 23 25 8 7 24 24 7 11 26 26 6 10 27 23 5 11 33 21 4 12 29 19 3 15 30 19 1 14 31 17 0 16 34 16 5 21 32 17 3 18 30 13 6 22 35 19 9 25 28 14 7 30 30 16 7 22 25 9 7 24 24 8 9 28 30 11 15 26 22 6 11 29 23 7 31 51 32 34 21 33 19 4 14 32 23 4 23 42 24 18 45 66 44 16 32 48 29 18 30 36 16 5 21 31 14 6 21 27 12 6 22 26 10 7 23 25 10 8 28 100 59 62 86 23 10 11 25 20 7 12 26 20 5 13 27 18 4 14 28 17 4 14 28 16 2 16 29 15 3 16 28 15 4 17 27 14 5 18 26 13 5 19 25 12 6 20 24 11 8 21 23 10 8 22 22 9 9 23 21 8 10 24 21 7 11 25 20 6 12 25 19 5 13 26 18 5 14 27 17 4 15 28 16 3 16 28 15 4 17 27 14 5 18 26 13 6 19 25 12 7 19 24 12 8 20 23 11 9 21 22 10 9 22 22 9 11 23 21 9 12 24 22 9 17 33 22 9 14 29 21 8 16 28 25 14 24 44 34 25 54 58 17 6 17 27 15 6 17 25 14 7 18 24 13 7 19 24 13 8 19 23 12 9 20 22 11 10 21 21 10 11 22 20 9 11 22 20 9 12 23 19 8 13 24 18 7 14 24 17 7 14 25 17 6 15 26 16 5 16 26 15 6 17 25 14 7 17 24 14 8 18 23 13 8 19 22 12 9 19 22 12 10 20 21 11 11 21 20 10 11 21 20 10 12 22 19 9 13 22 18 9 14 23 17 8 14 24 17 7 15 24 16 7 15 25; 1HNMR: 37 36 s 3H | 29 29 dd 1H J 60 128 | 27 26 m 2H | 21 20 s 3H | 12 12 d 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NN)cc1OC
ir: 9 8 7 8 12 7 7 6 7 6 6 6 6 7 11 11 22 8 18 26 49 69 45 48 50 23 22 16 12 11 8 12 29 26 15 7 7 7 8 14 13 12 16 31 40 52 46 20 15 19 13 11 10 29 27 41 10 6 8 7 9 9 10 13 11 10 12 24 15 20 7 7 7 7 7 6 6 6 6 6 6 7 14 10 9 8 9 13 12 9 9 8 13 16 8 6 7 6 4 5 7 8 7 7 9 7 0 65 20 10 12 6 5 6 9 6 5 11 9 10 8 8 8 8 16 19 24 10 7 8 8 8 10 10 16 17 13 22 45 57 71 33 21 17 13 9 18 23 20 14 23 39 10 7 14 43 8 5 5 6 6 5 7 23 28 5 6 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 6 6 5 7 7 7 6 5 7 8 6 9 19 53 35 33 14 8 7 7 7 6 6 8 8 7 10 18 38 40 14 9 8 11 7 10 14 51 71 100 86 17 18 20 10 11 8 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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: 69 69 t 1H J 38 | 68 68 d 1H J 84 | 68 67 dd 1H J 20 84 | 65 65 d 1H J 21 | 62 62 d 2H J 38 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1
ir: 7 6 2 6 6 6 8 5 7 6 7 3 1 4 3 3 1 1 1 3 2 1 1 2 1 3 2 2 4 8 4 7 15 8 6 10 8 11 16 14 26 34 33 5 8 6 22 3 4 3 4 2 5 5 3 1 4 7 4 6 10 14 13 5 2 5 13 21 12 37 24 6 5 5 4 5 3 7 20 46 35 28 31 8 2 3 1 2 2 12 3 2 3 1 3 2 3 8 6 3 2 1 1 1 1 3 2 1 3 4 1 3 7 13 10 4 3 4 4 4 5 5 6 5 9 5 9 9 11 14 15 8 46 74 34 31 9 4 2 7 10 100 9 76 37 12 8 13 19 5 2 11 5 2 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 3 2 2 3 3 3 3 3 2 2 10 19 18 27 80 23 21 6 4 3 4 3 2 2 1 2 3 5 42 40 9 6 4 3 5 7 68 30 31 41 6 4 1 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 d 1H J 84 | 73 72 m 9H | 71 71 ddt 2H J 8 15 76 | 45 45 d 2H J 59 | 42 41 m 2H | 41 40 d 1H J 154 | 39 38 p 1H J 59 | 37 36 q 2H J 72 | 32 31 ddt 1H J 8 57 153 | 30 29 ddt 1H J 8 57 154 | 28 27 dtt 1H J 8 85 144 | 27 26 dtt 1H J 9 85 144 | 22 20 dtd 1H J 58 85 143 | 19 18 dtd 1H J 57 84 142 | 12 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(CCCO)C(=O)C1
ir: 19 18 16 6 7 5 1 6 8 5 3 7 10 7 6 10 16 23 15 15 17 10 5 41 25 19 14 11 18 5 5 8 9 5 6 6 5 2 4 5 4 3 7 9 5 1 3 6 4 3 5 10 4 2 3 7 3 1 3 6 8 4 5 8 6 4 7 13 4 1 4 6 3 3 9 8 4 4 7 9 39 22 9 7 5 9 7 14 7 29 65 28 12 7 9 12 52 33 32 11 8 7 6 6 2 4 6 4 8 21 19 8 1 4 7 4 7 6 9 7 4 10 7 6 6 6 7 5 5 6 10 4 6 4 6 5 6 7 6 1 2 5 5 3 2 5 4 1 3 43 28 7 3 5 4 1 2 5 3 1 2 5 3 0 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 3 2 2 4 4 1 3 5 3 1 3 5 4 2 4 10 4 2 4 7 4 2 3 24 20 4 4 6 4 3 5 20 25 24 19 100 19 2 4 5 3 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 39 38 t 1H J 59 | 37 36 q 2H J 62 | 35 34 m 4H | 34 33 s 2H | 29 28 m 2H | 24 24 s 2H | 19 18 p 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc2ncccc2c2nc(S(=O)(=O)Cl)nn12
ir: 6 3 2 4 4 6 53 6 4 2 1 3 3 4 3 10 6 16 12 6 2 2 1 3 2 6 3 2 2 2 1 1 1 1 3 2 2 3 2 3 12 11 2 6 64 100 6 2 2 1 2 2 2 1 2 2 1 5 2 2 2 1 6 8 11 8 6 1 1 2 2 2 3 2 1 2 2 2 2 2 2 7 11 72 90 3 2 2 1 1 2 1 1 1 2 1 1 2 2 4 9 2 2 1 1 1 2 3 1 1 1 1 1 1 1 18 0 2 2 2 1 1 2 8 8 2 2 1 2 1 2 1 2 20 19 2 3 2 2 3 20 16 2 2 1 2 3 9 12 5 2 0 2 4 2 0 26 21 2 3 12 4 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 3 25 14 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 dd 1H J 21 36 | 86 86 dd 1H J 20 73 | 74 74 dd 1H J 36 72 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1sc2ccc(Br)cc2c1-c1ccccc1
ir: 4 3 13 4 3 4 5 3 4 6 4 4 8 4 3 4 4 3 3 14 3 3 3 35 4 5 4 6 10 6 5 7 11 5 5 45 5 4 5 19 52 11 5 2 3 14 4 2 3 5 4 0 5 4 4 5 10 4 3 3 4 4 3 4 12 8 4 4 9 6 15 8 4 4 4 3 6 9 6 6 4 4 4 8 24 11 6 9 4 4 4 4 5 14 5 3 5 5 5 4 16 3 3 3 4 3 3 6 7 5 6 4 4 3 8 5 5 5 5 4 4 4 3 6 4 3 3 4 4 4 11 5 7 9 5 24 4 3 3 4 7 19 24 9 6 6 4 5 6 3 6 4 6 3 3 3 3 4 3 15 6 11 3 5 4 3 3 5 4 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 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 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 4 3 3 4 4 3 4 4 3 3 3 3 3 3 3 4 3 3 3 4 4 3 3 4 4 3 4 4 4 3 9 15 20 64 27 21 5 5 5 5 8 100 28 6 4 4 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 4 3 3 3 4 3 3 3 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; 1HNMR: 81 81 d 1H J 25 | 80 80 d 1H J 79 | 75 75 dd 1H J 26 79 | 75 75 m 2H | 75 74 m 2H | 74 73 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=O)CC(=O)C1CC1
ir: 3 5 5 3 5 2 3 4 6 6 6 9 8 5 15 13 5 5 13 8 8 10 13 31 8 3 6 4 3 2 1 2 3 5 2 6 12 11 6 18 33 19 10 9 5 2 3 4 4 0 2 4 5 3 5 9 15 9 9 6 3 1 2 3 2 0 1 3 1 0 1 2 1 1 3 9 3 3 4 7 5 34 69 22 8 14 31 12 9 6 7 3 4 2 3 5 4 5 7 5 1 2 3 2 1 1 6 3 5 13 16 14 10 3 3 2 2 6 12 8 18 22 22 8 8 11 11 10 5 5 14 28 44 100 37 17 13 14 25 50 16 24 16 13 10 20 18 32 40 15 12 23 10 3 2 2 2 2 1 1 5 5 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 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 2 0 2 3 2 5 11 6 7 5 4 6 6 8 6 20 67 21 19 15 18 5 9 4 4 5 4 3 2 1 2 2 1 1 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 39 38 s 3H | 37 37 s 2H | 23 22 p 1H J 59 | 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.
CCCCCCCCOc1ccc(C=O)cc1Cl
ir: 15 12 13 21 11 12 11 8 6 15 10 9 8 10 11 15 14 16 14 11 8 19 20 22 11 9 10 7 7 10 9 7 10 22 14 18 14 26 20 14 12 23 17 13 20 11 12 8 11 12 13 0 81 37 33 15 11 9 15 11 12 31 15 10 12 14 18 22 17 34 22 13 15 10 9 9 10 11 17 10 11 13 12 17 33 16 16 13 11 9 9 9 9 9 8 8 9 9 12 13 16 29 10 12 47 21 10 11 24 28 30 30 17 30 27 24 21 27 31 30 18 16 13 24 43 21 9 10 13 10 9 9 9 8 9 8 10 9 14 20 100 11 8 9 13 30 10 10 9 8 9 54 25 21 23 31 12 10 8 10 10 7 11 10 8 7 8 9 8 7 8 9 8 7 9 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 9 9 8 7 8 9 8 7 8 8 8 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 8 9 9 8 7 9 9 8 8 8 9 7 8 9 9 8 9 10 13 11 11 18 15 14 13 19 11 9 11 13 16 18 52 26 34 94 79 15 12 11 9 9 9 9 9 11 9 9 8 8 8 8 8 9 8 8 8 8 9 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 9 8 7 8 8 8 7 8 9; 1HNMR: 99 99 s 1H | 79 79 d 1H J 21 | 78 77 dd 1H J 22 86 | 71 71 d 1H J 85 | 41 40 t 2H J 60 | 18 17 tt 2H J 61 74 | 15 14 dq 2H J 69 79 | 14 12 m 8H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)CC1
ir: 17 4 2 2 4 6 4 5 8 5 21 3 3 3 27 8 3 3 3 2 3 2 2 2 2 2 3 8 2 3 2 5 60 2 2 2 2 2 2 2 2 2 3 9 5 1 19 69 2 5 3 0 2 3 5 1 2 7 3 1 2 3 2 49 10 11 7 3 6 8 2 5 5 6 4 0 3 5 20 32 4 6 2 14 13 18 63 43 36 21 8 7 7 6 5 2 3 3 32 29 13 5 2 2 3 2 2 3 2 3 2 3 7 17 10 2 3 2 2 2 2 2 5 9 4 3 6 25 4 3 5 5 5 2 2 2 2 2 1 3 9 3 2 2 2 2 1 2 1 1 1 2 3 2 2 2 2 1 1 2 2 1 2 2 1 1 2 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 1 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 5 3 4 3 3 4 3 3 3 5 4 7 10 9 15 3 5 19 14 3 3 6 3 2 47 100 9 6 4 3 3 3 2 2 2 3 2 4 6 7 4 3 2 2 2 2 2 3 3 2 3 5 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 81 t 1H J 21 | 77 77 m 2H | 77 76 m 1H | 38 37 h 1H J 49 | 34 33 ddd 2H J 72 99 128 | 33 32 ddd 2H J 73 101 130 | 32 32 d 1H J 48 | 21 20 dddd 2H J 49 71 99 121 | 19 18 dddd 2H J 50 73 99 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1cc(C)c(O)cc1C
ir: 1 1 2 2 3 8 4 3 1 1 2 1 1 1 1 1 2 2 4 5 4 6 9 1 1 1 2 2 1 2 2 2 4 5 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 2 3 7 2 2 3 3 2 12 14 10 11 7 9 13 22 16 3 11 3 2 3 3 2 7 21 63 44 16 3 1 1 1 1 1 3 6 10 57 5 2 2 3 2 2 11 8 2 2 2 1 1 2 2 3 6 6 3 5 10 5 8 4 3 2 2 1 1 1 1 1 1 2 2 4 2 2 1 2 1 1 1 1 2 17 1 1 1 1 1 1 9 5 2 3 3 17 9 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 3 2 2 3 4 1 2 3 2 2 3 5 5 8 19 8 21 32 19 7 3 0 3 6 4 100 77 0 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 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; 1HNMR: 70 70 d 1H J 6 | 66 65 s 1H | 62 61 s 1H | 25 25 s 3H | 23 23 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(-c2nn(-c3cccc(C(F)(F)F)c3)ccc2=O)c1-c1ccccc1
ir: 2 1 1 1 1 1 4 2 2 1 2 1 2 2 5 2 3 2 3 3 2 1 2 2 6 3 2 1 12 3 6 6 4 31 3 4 2 1 1 1 2 14 4 24 5 2 3 8 50 3 2 1 4 10 3 2 1 1 1 1 6 1 1 1 1 1 2 14 6 4 2 3 1 2 3 10 7 2 4 7 7 2 1 1 2 1 1 1 1 1 1 7 2 2 2 2 1 3 6 4 10 5 2 1 2 1 1 1 6 3 48 2 2 1 1 2 5 8 8 3 2 2 1 2 2 3 3 3 9 0 23 1 1 2 8 2 5 10 3 2 1 12 5 9 9 7 2 37 2 2 2 6 3 1 1 2 5 2 5 2 3 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 4 2 3 2 13 100 20 36 9 8 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 s 1H | 79 79 d 1H J 81 | 79 79 t 1H J 22 | 76 76 ddd 1H J 13 22 64 | 76 75 m 3H | 74 74 m 4H | 67 66 d 1H J 82 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)C(CC(=O)OC(C)(C)C)C(=O)CC
ir: 8 5 2 5 6 4 5 5 4 14 14 13 12 9 5 5 3 4 6 2 2 8 4 2 4 6 4 5 13 5 10 3 5 6 5 4 2 11 15 4 2 4 3 3 5 13 9 6 8 3 5 3 3 2 6 3 6 5 2 3 7 12 3 2 3 2 1 1 1 4 5 6 5 9 4 0 2 2 1 0 1 2 1 0 2 2 1 2 2 2 0 1 3 2 3 3 5 5 3 2 2 2 1 1 3 6 7 6 6 7 13 32 24 7 17 30 21 21 35 27 24 6 60 34 22 13 7 5 16 7 31 26 42 33 6 6 3 4 9 27 56 90 80 53 58 100 13 5 2 2 2 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 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 3 3 7 5 5 6 4 7 9 12 4 7 11 15 7 17 56 34 47 18 7 3 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 38 37 t 1H J 68 | 28 27 d 2H J 68 | 26 25 dq 2H J 77 155 | 25 24 dq 2H J 77 156 | 14 14 s 8H | 11 10 t 7H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)OCC(C#N)C2c1cc(OC)c(OC)c(OC)c1
ir: 4 3 1 2 2 6 5 5 7 4 8 3 2 1 1 5 6 3 2 4 3 14 5 6 4 4 7 9 4 2 4 2 1 2 2 4 2 2 2 6 4 3 11 15 2 2 6 11 2 2 2 1 3 7 35 90 7 2 4 7 4 2 12 26 50 27 95 98 45 29 60 9 24 35 12 11 2 2 5 7 2 1 3 2 1 1 4 10 14 3 7 11 5 3 6 3 1 3 14 18 5 2 5 7 11 11 5 4 2 3 2 4 1 3 2 3 2 4 6 5 9 5 5 10 5 3 10 10 3 5 2 2 2 2 2 1 2 1 6 7 2 2 1 7 21 5 3 1 1 3 74 8 3 20 6 5 19 5 2 1 7 55 23 3 3 2 1 1 1 1 1 1 1 1 1 3 2 1 3 95 18 3 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 5 3 3 4 2 3 4 2 4 7 7 10 9 20 42 16 25 100 61 11 6 2 3 3 3 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 dd 1H J 7 81 | 66 66 dd 1H J 24 82 | 65 64 m 3H | 45 45 dd 1H J 42 106 | 43 43 dt 1H J 8 68 | 43 42 dd 1H J 41 107 | 39 38 m 12H | 38 37 dt 1H J 41 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Oc2ccc(OC)cc2)cc1C(=O)OC
ir: 7 15 5 10 18 14 7 7 4 6 6 17 10 44 13 6 3 6 2 3 11 6 2 3 2 2 1 3 4 3 2 3 2 3 2 3 4 5 4 2 5 1 1 2 2 1 1 2 2 1 3 5 7 38 37 28 20 6 8 12 4 3 6 4 5 3 16 12 25 30 4 1 2 4 3 12 3 5 3 3 2 2 5 1 1 2 4 4 4 3 4 3 2 1 2 2 1 3 5 6 6 2 2 2 4 4 5 3 2 1 2 20 11 11 15 23 43 8 14 6 7 5 8 3 6 9 5 6 3 3 3 1 1 3 2 1 2 7 14 4 2 7 6 27 23 30 10 14 24 14 5 8 3 11 8 5 9 3 1 1 2 4 5 6 4 2 2 1 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 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 3 1 0 1 3 2 0 2 3 3 0 4 11 18 14 20 100 41 24 9 7 3 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 d 1H J 87 | 74 74 d 1H J 26 | 70 70 dd 1H J 28 86 | 69 69 m 4H | 39 39 d 6H J 7 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(=O)OC(C)(C)C)n1
ir: 5 9 8 3 6 5 1 5 13 20 5 3 2 2 5 10 6 5 0 2 2 1 1 2 2 1 1 2 2 7 1 2 2 2 2 2 2 1 1 3 7 2 2 2 3 4 30 40 6 0 2 3 2 1 1 3 1 0 1 4 7 1 7 13 14 4 4 3 2 0 17 5 3 1 2 2 1 2 19 44 4 5 8 5 23 4 2 2 2 1 3 5 19 2 2 2 5 6 4 2 1 3 5 20 4 6 4 3 2 2 5 2 2 3 7 4 10 51 12 12 5 8 7 6 9 11 17 15 11 27 84 15 0 2 4 1 1 5 38 100 14 14 60 16 2 4 5 45 59 1 1 4 4 3 3 27 7 5 12 20 2 3 2 1 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 4 4 6 6 3 3 4 3 2 4 6 12 4 6 12 29 18 18 93 64 6 7 5 3 2 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1; 1HNMR: 80 80 dd 1H J 12 74 | 77 77 t 1H J 75 | 74 74 m 1H | 25 25 d 3H J 8 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]nc(-c2ccccc2)n2ccnc12
ir: 13 8 5 2 3 4 4 5 3 4 3 5 5 7 19 47 18 14 10 10 5 4 2 1 3 5 3 4 4 4 12 16 8 9 6 8 1 7 7 8 6 69 26 60 11 2 2 3 2 1 2 2 2 1 2 2 2 2 2 2 4 2 2 6 2 2 3 15 11 9 3 19 6 2 8 16 4 2 11 29 3 2 2 2 3 21 7 2 4 46 3 3 5 32 4 4 2 3 8 20 3 3 1 2 3 4 39 5 1 2 2 4 1 2 2 1 1 5 3 2 2 4 3 5 6 9 15 19 4 3 2 2 5 7 5 63 6 6 6 5 3 100 38 19 8 4 4 3 9 4 7 65 22 9 2 4 2 1 2 3 81 3 2 3 2 3 9 2 2 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 2 2 3 2 2 2 1 2 1 2 2 2 3 3 3 4 9 7 6 52 81 76 33 5 8 7 5 3 1 3 3 3 0 2 3 1 0 2 3 1 0 3 6 6 88 15 2 3 3 1 2 2 5 2 2 6 2 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 dt 2H J 12 64 | 79 78 d 1H J 37 | 76 75 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCc2ccc(-c3ccn4nc(-c5ccc(Cl)cc5)cc4c3)cc21
ir: 0 3 2 2 3 2 3 2 10 3 10 10 1 2 2 1 1 3 3 12 2 5 5 7 1 2 2 2 3 8 2 1 3 13 5 2 1 2 3 2 1 2 1 0 1 5 2 1 13 2 3 3 3 17 38 43 3 3 2 1 2 2 4 1 2 1 1 1 2 19 8 6 3 10 16 24 12 6 1 2 2 2 1 1 1 2 14 8 4 3 2 4 5 7 1 1 6 2 3 1 2 1 0 1 4 7 1 1 2 1 1 3 29 2 1 3 2 4 4 7 13 3 3 4 5 21 3 3 3 4 2 2 2 2 3 4 38 30 6 28 30 2 1 3 17 75 18 4 34 13 5 8 2 11 4 8 3 0 1 3 8 0 1 10 1 4 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 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 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 3 3 2 3 2 1 2 3 3 8 14 17 16 100 33 80 27 23 4 4 3 3 2 2 3 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 1H J 69 | 81 80 d 1H J 22 | 78 78 m 3H | 77 77 dd 1H J 13 68 | 76 76 dd 1H J 21 80 | 76 75 m 2H | 74 74 s 1H | 73 72 dt 1H J 9 79 | 31 30 ddd 2H J 10 59 65 | 28 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(NCc2ccc3c(c2)OCO3)c2cc(Cl)ccc2n1
ir: 2 4 7 3 5 3 2 4 7 6 9 3 2 3 3 2 3 2 4 3 4 5 3 3 3 3 3 3 4 4 5 7 4 3 5 5 5 3 3 4 4 5 5 4 5 5 6 3 3 2 3 3 5 6 5 6 6 22 100 18 5 3 3 5 5 14 6 7 7 8 2 2 2 2 3 2 2 2 3 2 2 3 2 2 5 5 3 3 6 8 3 2 2 4 4 6 3 3 6 3 2 2 2 3 6 11 6 3 2 18 10 6 3 4 2 3 3 5 5 4 6 2 4 3 5 5 5 4 5 5 2 2 2 8 3 3 3 6 4 6 22 9 4 4 5 6 2 6 8 10 11 5 3 4 7 6 11 3 2 2 2 2 2 3 2 0 10 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 4 7 21 15 9 4 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 3 6 8 12 28 10 7 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 81 81 d 1H J 82 | 81 80 d 1H J 24 | 78 78 dd 1H J 26 82 | 72 71 t 1H J 54 | 70 69 ddt 1H J 9 18 90 | 68 68 dt 1H J 8 18 | 68 67 d 1H J 90 | 59 59 s 2H | 48 47 dt 2H J 8 54 | 45 44 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1(S)N=c2ccccc2=N1
ir: 23 4 5 4 11 9 2 8 9 8 7 7 11 16 34 23 12 5 10 27 12 9 9 15 8 10 23 16 6 6 5 7 13 5 5 5 37 7 8 8 7 5 6 8 13 11 5 4 5 6 5 4 4 4 5 5 4 4 4 4 3 11 8 6 4 5 4 25 5 4 4 4 4 6 5 5 5 4 5 4 4 6 7 6 8 15 24 35 87 26 11 9 5 5 4 21 6 5 5 9 4 4 5 6 4 3 4 4 3 4 4 3 4 7 5 3 4 4 4 18 12 5 7 12 6 5 7 5 4 4 3 4 3 4 16 27 5 23 45 3 3 4 6 8 22 10 4 4 3 4 4 3 3 4 6 8 4 9 6 3 3 4 4 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 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 4 3 3 4 3 3 4 4 4 6 7 7 4 3 3 4 3 3 4 5 3 3 4 4 3 2 4 5 2 0 45 46 26 6 2 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 5 6 6 6 5 3 4 4 4 4 4 10 14 32 25 7 10 5 4 5 4 0 69 100 5 6 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 78 77 dd 2H J 13 65 | 76 75 dd 2H J 12 65 | 44 43 d 2H J 57 | 35 35 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(Cc2n[nH]c(=S)n2-c2c(Cl)cc(Cl)cc2Cl)cc1
ir: 11 7 6 6 4 6 9 8 15 15 14 9 4 6 5 4 5 5 6 5 5 4 9 4 2 5 4 3 2 6 6 3 4 5 6 4 3 4 6 10 6 4 4 5 30 9 8 7 10 14 8 6 7 5 6 24 12 33 9 4 3 3 2 4 3 4 15 2 5 3 2 3 4 13 14 4 3 9 4 18 96 17 11 4 7 5 7 6 23 28 12 3 7 26 19 13 14 6 10 13 12 3 5 3 6 3 5 4 3 3 4 6 5 3 3 2 4 3 5 9 13 5 5 6 4 3 3 3 5 8 7 10 5 3 2 3 6 10 17 12 4 5 14 82 5 6 4 14 54 12 3 4 9 6 3 3 2 0 16 44 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 1 1 2 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 2 2 2 2 2 2 2 2 2 2 4 3 4 3 4 2 2 3 3 3 11 11 5 20 100 10 11 12 12 5 5 10 35 14 8 2 2 3 3 2 2 3 4 3 3 4 5 5 7 61 29 10 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 77 77 s 1H | 75 74 s 2H | 71 71 dt 3H J 8 86 | 68 67 m 2H | 37 37 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=CC[C@@H]1CC[C@@](C)(O)C1(C)C
ir: 4 18 11 9 7 4 6 6 11 5 4 8 9 9 2 5 4 6 12 3 6 3 6 4 4 4 2 4 8 8 10 4 17 18 8 9 18 36 21 4 6 5 8 4 17 5 5 4 4 10 7 5 9 7 4 11 4 4 2 3 3 9 11 7 8 6 12 7 4 4 4 7 15 23 35 49 41 9 6 12 16 6 27 31 27 15 15 12 9 29 38 17 15 44 19 17 4 12 17 13 8 4 7 6 13 17 41 33 25 13 10 12 8 22 4 8 20 10 6 8 10 15 25 18 9 7 4 12 6 5 11 48 12 9 8 4 2 4 7 7 2 3 2 3 3 2 2 2 2 2 2 1 1 2 1 2 3 2 2 2 2 2 2 2 1 2 1 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 1 2 1 1 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 2 2 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 3 2 2 4 9 6 5 5 5 3 8 10 7 1 8 14 23 79 51 49 100 38 9 0 3 5 3 2 7 8 20 2 4 4 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 56 55 m 1H | 53 52 m 1H | 22 21 m 1H | 20 19 ddddd 1H J 16 45 58 74 89 | 19 18 m 1H | 18 17 dddd 1H J 18 67 84 135 | 18 17 s 1H | 17 16 m 1H | 16 16 m 3H | 16 15 ddd 1H J 66 85 134 | 15 13 m 1H | 13 12 s 2H | 10 10 d 3H J 14 | 10 9 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(C(C)(C)C)c(Oc2ccc(CC)cc2)c1
ir: 1 1 1 1 1 1 1 1 2 3 2 9 6 6 1 1 1 1 2 1 1 1 2 1 1 1 5 1 2 1 3 1 1 2 3 1 1 1 1 1 2 4 1 0 1 2 2 0 1 3 1 2 5 24 48 47 17 5 2 7 9 3 8 5 2 1 2 3 15 22 3 2 4 6 7 13 14 5 6 2 1 1 1 1 1 5 1 5 17 3 2 1 1 3 5 2 3 3 9 3 0 0 7 5 0 1 3 4 1 1 3 4 2 3 5 2 2 3 2 3 4 3 3 3 2 7 7 3 2 5 4 3 3 3 1 1 1 0 0 1 1 1 0 2 4 1 2 28 27 23 11 3 8 3 11 2 1 1 1 1 1 5 4 0 1 1 1 0 1 1 1 0 1 1 1 2 4 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 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 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 2 2 1 2 2 1 7 10 13 22 24 100 37 6 9 3 2 4 2 1 1 1 1 0 1 1 1 19 21 0 1 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 71 dt 2H J 9 85 | 70 70 d 1H J 17 | 69 68 m 2H | 31 31 s 1H | 27 26 qt 2H J 9 73 | 14 14 s 8H | 12 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)c1ccc(-n2cccc2C#N)cc1
ir: 2 5 7 9 6 20 27 14 12 8 7 8 6 8 7 14 9 4 25 52 0 8 10 2 0 7 15 15 28 27 14 14 8 5 5 2 9 6 5 2 3 6 11 24 39 19 7 3 4 6 4 2 4 10 23 25 18 9 3 5 5 7 7 2 4 6 3 2 4 8 15 4 9 6 5 2 5 5 5 10 6 6 2 3 4 8 10 5 10 4 3 2 5 6 3 3 5 6 5 3 5 3 1 3 5 4 2 3 5 4 4 20 13 27 6 34 24 15 4 10 17 8 2 5 9 27 10 7 9 7 3 4 9 3 1 5 6 2 2 7 12 13 100 71 55 13 6 7 26 18 20 13 5 5 5 6 4 3 3 4 3 2 3 3 11 1 3 5 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 6 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 5 4 2 3 5 4 4 3 4 4 3 5 7 5 5 10 18 17 58 32 35 58 31 14 13 5 4 4 5 2 3 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4; 1HNMR: 80 79 m 2H | 77 77 m 3H | 70 69 dd 1H J 17 52 | 68 68 dd 1H J 38 52 | 44 44 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(CC(=O)O)[nH]n1
ir: 4 4 3 2 11 10 2 10 4 5 3 12 5 3 33 6 6 4 18 43 0 6 8 27 66 6 3 2 2 3 2 1 1 1 2 1 1 1 1 1 1 2 1 2 2 5 2 2 1 2 4 8 9 7 3 10 16 10 2 0 5 2 1 1 2 2 1 2 2 2 11 6 6 5 7 11 12 5 22 12 8 9 3 3 2 3 5 4 4 3 1 7 1 14 4 2 4 3 2 5 30 6 3 3 1 1 4 3 5 6 3 2 3 2 2 2 4 3 4 3 7 2 3 2 12 11 2 2 1 1 1 1 3 2 1 1 2 2 2 6 2 33 2 7 3 8 7 3 3 2 1 2 2 1 1 1 5 2 36 4 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 3 2 1 1 2 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 2 2 1 1 2 2 1 2 2 2 3 1 2 3 1 2 4 12 3 3 4 3 4 4 3 20 55 12 100 4 45 6 3 2 1 1 1 1 1 1 2 1 7 4 3 8 5 13 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 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; 1HNMR: 96 96 s 1H | 58 58 s 1H | 36 35 d 2H J 10 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCC(=O)c1c(F)cccc1OC
ir: 3 9 7 3 1 7 5 4 6 1 4 4 15 4 2 3 5 1 5 2 5 6 3 4 6 6 2 2 2 1 2 5 10 4 2 1 2 1 1 2 3 2 2 4 3 2 14 58 11 15 8 11 8 4 5 4 7 12 13 5 4 15 5 1 1 5 7 12 1 2 4 4 3 4 2 3 2 1 1 2 3 4 3 1 1 1 1 0 1 1 2 2 1 13 5 5 3 4 15 6 5 4 2 3 2 2 1 9 0 1 2 2 1 3 3 6 6 27 8 8 12 19 17 11 9 4 6 7 4 11 2 20 3 10 39 12 9 6 7 38 12 7 9 70 100 20 6 13 7 2 1 3 1 3 3 1 13 19 23 8 3 1 1 2 1 0 1 1 0 0 0 1 0 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 1 1 1 1 1 1 2 3 4 3 5 7 6 3 3 3 4 1 10 17 23 12 21 22 23 6 3 3 2 1 2 1 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 td 1H J 52 80 | 71 70 ddd 1H J 12 81 102 | 69 68 dd 1H J 11 79 | 39 39 s 3H | 37 36 s 3H | 34 33 t 2H J 86 | 28 28 t 2H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CO)nc2n1-c1ccccc1N(C)c1ccccc1-2
ir: 71 26 49 15 19 13 11 13 7 16 12 25 13 24 13 6 0 23 33 35 22 10 12 10 10 6 7 8 8 6 7 8 8 13 7 8 8 8 10 11 12 44 86 54 53 7 12 8 11 5 7 7 7 4 6 6 9 10 6 8 6 5 6 7 7 8 13 9 8 7 8 5 12 9 10 12 22 10 9 8 11 8 11 14 29 27 50 71 32 22 17 8 6 11 9 8 8 7 10 7 5 5 6 6 4 5 7 6 6 8 10 11 6 10 7 7 8 7 8 7 11 10 16 19 16 12 23 11 10 12 14 16 41 18 18 7 5 36 25 60 10 26 36 10 10 7 36 37 37 24 24 58 7 5 6 5 16 8 5 6 9 8 7 6 5 5 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 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 6 6 6 6 7 6 6 6 6 6 6 5 5 5 5 5 5 5 5 6 6 7 6 5 5 6 7 6 7 9 6 9 13 13 12 5 14 31 33 78 72 38 15 13 13 12 100 90 50 6 8 8 5 4 6 6 5 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 6 6 6 6 6 5 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 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4; 1HNMR: 80 79 dd 1H J 15 80 | 75 75 m 1H | 74 74 dd 1H J 13 68 | 74 73 m 3H | 72 72 dd 1H J 16 68 | 71 70 dd 1H J 14 65 | 48 47 d 2H J 49 | 35 35 s 3H | 33 33 t 1H J 50 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)Sc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2F)c2c(N)nccn12
ir: 2 1 2 4 4 2 2 3 2 1 5 3 3 3 3 2 1 5 4 1 1 2 3 7 12 4 3 4 8 7 15 8 11 15 5 2 4 8 3 5 4 3 6 3 3 4 5 8 2 2 4 27 2 2 2 4 2 4 3 3 1 3 1 1 1 2 1 1 2 4 3 1 1 1 1 1 3 2 2 5 3 4 1 1 1 4 1 2 1 1 0 0 2 1 1 2 2 1 4 1 1 1 1 1 1 1 0 1 1 3 1 1 1 1 0 1 2 9 5 3 3 2 5 2 2 2 1 1 1 4 3 2 2 3 29 10 3 60 1 2 4 3 10 7 6 5 1 3 10 11 35 14 18 5 23 5 2 2 8 3 6 3 2 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 1 1 1 1 1 0 1 1 1 1 2 4 7 6 7 23 28 4 6 5 1 2 1 0 1 1 1 0 1 1 1 1 1 2 18 6 1 1 1 0 1 1 1 1 1 2 100 3 2 1 0 1 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 2H | 80 79 m 2H | 80 79 s 2H | 78 77 d 1H J 66 | 75 74 m 2H | 74 74 m 1H | 73 73 s 2H | 71 71 d 1H J 66 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(N=CN(C)C)=C(/C)N(C)C
ir: 3 3 6 5 3 6 5 3 5 4 13 5 3 5 1 1 2 2 0 3 5 6 2 1 0 1 2 1 1 2 2 3 2 1 2 1 2 2 2 1 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 2 3 2 3 1 1 1 5 4 2 3 2 2 6 4 4 2 1 1 1 1 1 2 2 1 1 3 7 19 20 5 2 2 4 3 7 22 19 5 3 2 2 2 12 15 6 3 6 4 2 3 4 16 10 7 6 2 2 2 1 1 1 3 1 1 3 2 2 3 2 2 1 1 1 1 3 11 3 9 2 1 1 1 1 1 1 1 1 1 0 1 2 1 39 100 1 1 2 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 2 5 3 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 p 1H J 10 | 43 43 q 2H J 71 | 31 31 d 6H J 9 | 30 29 s 5H | 21 21 s 3H | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(-c2ccccc2)no1
ir: 3 4 2 2 3 2 1 2 3 2 1 3 4 4 4 3 5 1 1 2 2 1 1 2 2 1 1 3 4 5 6 6 6 4 2 3 3 4 7 39 23 40 6 8 3 0 2 4 2 0 2 4 2 0 2 3 2 0 2 5 5 4 3 4 9 2 4 5 3 7 2 2 3 5 3 5 2 2 3 4 3 3 4 4 2 2 3 3 1 2 3 5 9 21 21 7 5 7 7 6 5 3 3 2 1 2 3 2 1 2 4 13 3 4 4 6 2 2 4 2 1 4 4 5 3 4 9 5 2 3 4 2 2 48 100 12 7 3 2 2 2 2 3 5 7 15 9 1 2 3 3 4 5 5 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 2 2 3 2 1 3 4 8 9 26 44 18 6 7 6 3 2 3 3 3 3 13 11 8 7 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 91 91 s 1H | 78 77 m 2H | 75 74 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)[nH]1
ir: 4 12 9 9 4 10 9 8 7 16 27 23 12 9 25 18 12 13 24 20 26 13 16 6 6 9 11 3 2 10 8 2 6 17 11 4 6 12 9 5 34 92 69 39 14 16 100 79 31 17 13 4 7 12 11 0 44 51 20 7 6 15 14 7 7 7 3 5 9 13 3 3 9 6 3 7 5 7 6 6 16 8 3 4 9 15 9 19 30 33 31 35 22 36 27 10 36 62 79 76 63 62 30 11 24 15 3 7 11 7 8 6 9 5 5 7 8 7 14 9 8 4 8 15 15 8 8 9 12 6 2 5 5 3 1 5 5 9 84 17 7 2 9 17 10 23 49 22 18 36 48 59 40 15 18 7 17 62 49 5 4 4 9 15 27 21 3 4 3 1 3 4 3 1 3 5 3 2 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 3 5 4 2 3 5 6 4 5 8 4 2 4 7 5 1 22 19 25 55 30 25 5 7 7 13 20 7 4 5 3 3 5 4 3 2 5 6 4 4 8 19 26 34 40 50 25 21 12 12 6 8 6 4 3 3 4 4 2 3 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 99 99 s 1H | 87 87 d 1H J 16 | 86 86 d 1H J 18 | 77 76 m 2H | 73 73 m 2H | 71 70 d 1H J 13 | 46 45 dddd 1H J 18 25 44 71 | 38 37 m 1H | 37 36 ddd 1H J 61 79 134 | 36 35 dddd 2H J 19 61 84 138 | 31 30 d 1H J 51 | 24 24 s 3H | 22 21 m 1H | 19 18 dddd 1H J 44 60 79 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN(CC(=NO)c1ccns1)C(=O)OC(C)(C)C
ir: 8 13 5 12 23 16 12 7 13 12 14 9 29 24 28 36 17 8 28 15 13 12 6 7 7 5 5 8 6 5 5 7 7 5 7 7 5 4 5 8 8 5 5 6 5 4 5 5 5 3 5 6 5 5 8 7 6 5 6 7 5 4 9 12 6 5 7 6 6 4 7 8 11 5 6 6 4 4 5 6 4 4 8 8 11 30 12 8 5 4 7 7 5 5 8 8 8 23 28 20 89 17 7 16 9 4 5 5 4 5 5 5 6 5 9 17 7 8 15 14 14 13 23 14 6 7 7 7 7 11 12 12 9 6 6 6 7 7 11 11 8 7 8 16 7 5 4 5 6 2 3 100 0 8 6 6 7 7 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 5 4 2 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 6 4 3 4 5 4 3 4 5 4 3 4 6 4 4 5 6 4 3 4 5 3 3 4 5 3 3 4 5 3 4 5 5 3 3 5 4 4 4 5 5 4 4 7 5 4 5 7 5 4 5 6 10 4 6 7 28 10 10 10 8 17 14 19 9 24 11 8 4 4 4 5 4 3 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3; 1HNMR: 87 86 d 1H J 29 | 73 73 d 1H J 29 | 59 58 ddt 1H J 59 116 173 | 53 52 ddt 1H J 13 24 170 | 51 51 m 1H | 45 45 s 2H | 40 39 dt 2H J 14 58 | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(-c2ccc(/C=C/c3nc(-c4ccc(Cl)cc4Cl)c[nH]3)cc2)cc1
ir: 0 1 3 3 6 2 2 1 4 3 2 3 3 5 4 6 6 7 7 7 3 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 2 1 0 1 2 1 0 1 2 2 1 2 7 14 6 20 52 67 23 15 30 24 3 5 14 46 18 11 13 13 8 6 1 8 2 1 2 14 6 2 3 1 1 2 3 4 5 6 4 5 10 10 32 24 13 2 2 4 8 40 18 10 6 41 16 2 2 0 3 3 22 8 4 19 3 10 7 8 4 3 6 17 9 6 16 7 14 12 2 7 18 5 11 21 25 12 10 6 2 1 4 5 1 1 2 1 1 3 15 100 22 7 9 3 6 18 6 7 2 2 2 2 1 1 5 3 1 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 3 1 3 3 3 2 2 3 3 2 3 3 4 6 7 16 35 63 57 94 39 13 13 8 4 1 6 2 3 5 33 4 1 2 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 76 75 m 4H | 76 75 s 4H | 75 74 d 1H J 158 | 74 73 m 4H | 68 67 d 1H J 157 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CC2CON=C2CO1
ir: 12 9 21 14 0 10 17 13 3 10 17 8 3 13 21 21 23 13 13 6 4 11 13 10 15 13 15 18 62 40 18 6 6 13 12 5 6 14 12 5 8 15 10 4 7 14 13 23 27 25 14 7 8 17 10 2 10 25 28 6 19 20 16 7 34 15 9 5 12 26 18 1 40 46 42 14 13 14 6 6 12 13 10 24 22 13 5 6 12 12 6 23 33 23 6 8 19 17 6 8 17 12 9 46 52 26 23 19 18 10 6 12 23 19 7 12 17 15 10 17 15 29 29 46 42 32 8 11 14 10 6 14 15 8 6 12 13 7 5 12 12 6 7 13 66 68 10 12 15 10 8 12 11 5 7 13 11 5 8 13 10 4 8 14 9 4 8 14 9 4 9 14 9 3 9 14 8 4 9 13 8 4 10 13 8 5 10 13 7 5 11 12 7 6 11 12 6 6 11 11 6 6 12 11 6 7 12 11 5 7 12 10 5 7 13 10 5 8 13 10 5 8 14 9 4 9 14 9 4 9 13 9 4 9 13 8 4 9 13 8 5 10 13 7 5 10 12 8 6 11 12 8 6 11 12 7 7 11 12 7 7 12 11 6 8 12 11 8 8 14 11 9 13 21 18 23 23 18 27 14 22 17 46 32 100 48 12 4 10 14 9 4 10 12 8 5 10 12 7 5 10 12 7 6 10 12 7 6 11 11 7 6 11 11 6 7 11 11 6 7 11 10 6 7 12 10 5 7 12 10 5 8 12 9 5 8 12 9 5 8 13 9 4 9 13 8 5 9 12 8 5 9 12 8 5 10 12 8 6 10 11 7 6 10 11 7 6 10 11 7 7 11 11 6 7 11 10 6 7 11 10 6 8 11 10 6 8 12 9 5 8 12 9 5 8 12 9 5 9 12; 1HNMR: 46 45 dd 1H J 42 93 | 45 44 d 1H J 134 | 43 43 d 1H J 134 | 41 41 dd 1H J 41 94 | 38 37 ddd 1H J 32 59 114 | 37 36 ddd 1H J 32 59 114 | 33 32 tt 1H J 41 51 | 21 20 dddd 1H J 31 50 59 128 | 18 17 dddd 1H J 32 51 59 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCSCCNC(=O)/C=C/C=C/c1ccccc1
ir: 9 6 5 2 3 3 4 2 3 4 3 3 2 3 3 5 1 2 3 3 7 6 25 30 21 4 3 3 6 5 3 7 9 28 34 67 48 23 10 11 30 10 16 6 3 3 2 2 3 4 2 1 2 3 3 1 2 4 2 2 4 6 8 6 5 5 4 3 9 15 3 3 3 2 5 5 6 6 4 3 12 17 24 7 3 2 1 2 3 3 2 4 3 3 2 2 4 4 3 4 10 4 6 5 20 19 26 26 8 8 2 4 2 3 2 3 4 8 17 9 8 9 7 5 28 36 11 23 9 6 8 8 10 8 4 4 5 5 3 5 5 25 33 100 16 50 54 51 9 4 2 4 4 2 20 8 2 1 1 2 3 2 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 2 2 2 4 5 4 3 2 3 6 6 8 10 15 16 13 29 51 23 16 5 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 3 9 17 51 21 10 11 6 3 4 3 3 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 76 75 t 1H J 43 | 74 73 m 3H | 73 72 m 3H | 68 67 m 2H | 61 61 m 1H | 37 36 s 2H | 32 32 q 2H J 43 | 28 28 t 2H J 65 | 28 27 t 2H J 43 | 27 26 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)Nc1nc(CN2CCN(c3ccccn3)CC2)ns1
ir: 18 11 2 24 34 16 14 12 19 15 26 48 43 31 25 7 3 6 8 12 26 20 28 20 9 8 41 17 24 36 36 8 18 75 5 8 7 8 34 100 9 7 26 21 16 7 4 5 3 4 6 9 10 93 53 20 13 14 46 10 11 4 5 3 29 14 10 51 8 11 3 10 20 3 8 5 3 15 15 2 15 56 87 33 5 6 3 4 3 3 3 5 5 3 11 7 9 9 7 14 9 12 8 20 17 35 41 28 28 16 10 15 10 11 7 5 3 9 29 52 51 15 17 8 10 11 9 8 7 18 22 25 25 7 16 15 11 10 26 39 69 38 28 43 68 26 23 59 3 15 9 5 3 5 6 3 3 7 59 30 2 3 3 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 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 4 2 2 6 5 7 6 5 4 4 7 8 9 21 42 12 5 21 89 8 4 3 2 2 2 1 2 1 1 1 1 1 2 1 2 3 5 7 4 6 8 18 37 88 60 9 8 4 0 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 81 81 dd 1H J 17 44 | 75 75 td 1H J 17 72 | 68 68 dd 1H J 14 70 | 67 66 ddd 1H J 14 45 73 | 66 66 d 1H J 77 | 47 46 dt 1H J 68 77 | 45 44 ddd 1H J 18 40 58 | 44 44 s 2H | 37 36 m 1H | 37 37 s 3H | 36 35 m 1H | 35 35 m 4H | 32 31 m 4H | 23 22 dddd 1H J 41 49 71 122 | 21 19 m 2H | 19 18 m 2H | 18 17 ddtd 1H J 14 66 131 145 | 16 15 ddd 1H J 68 79 132 | 9 9 d 3H J 66 | 8 8 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC(=O)N1CCC(Oc2cc(F)ccc2F)CC1)c1cc(-c2ccc(Cl)s2)[nH]n1
ir: 6 4 4 2 1 2 2 1 1 1 0 2 3 14 8 20 26 14 6 12 3 19 4 5 2 5 2 1 4 5 3 2 6 55 8 10 6 6 7 3 7 39 9 12 26 100 10 10 5 15 22 14 21 12 48 5 4 3 4 4 4 5 14 3 2 3 5 22 5 1 1 2 3 1 9 11 7 9 3 1 2 1 2 2 26 7 3 3 2 16 10 2 1 1 1 1 1 2 4 7 57 5 1 2 3 3 4 4 3 6 2 3 4 3 1 5 7 14 51 7 2 6 3 9 26 7 4 6 9 10 61 10 8 3 11 19 4 7 4 3 3 9 6 2 7 14 44 13 19 5 32 5 15 4 7 1 1 1 1 3 20 24 2 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 3 2 2 0 2 1 5 16 14 16 11 92 35 8 28 6 2 3 1 1 1 1 0 0 1 1 2 0 1 1 1 2 3 6 8 10 49 36 42 19 7 6 2 2 2 2 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 t 1H J 60 | 74 73 s 1H | 72 71 m 2H | 70 70 d 1H J 68 | 69 68 dddd 1H J 22 37 90 101 | 68 67 ddd 1H J 22 31 121 | 46 45 p 1H J 45 | 41 40 d 2H J 60 | 38 37 ddd 2H J 60 87 121 | 34 33 ddd 2H J 60 88 123 | 23 22 dddd 2H J 46 60 88 131 | 21 20 dddd 2H J 46 60 88 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(Cc2ccc(F)cc2)cc1-c1cccc(C(C)(C)N)c1
ir: 1 1 1 1 1 1 1 2 1 2 3 2 2 1 1 1 1 1 1 2 2 1 1 1 2 2 1 2 1 1 3 3 7 3 2 1 2 2 2 1 2 3 4 2 1 2 2 12 5 2 2 7 32 15 7 14 3 2 3 1 1 4 7 1 4 10 18 17 9 5 3 12 11 6 2 2 2 2 2 1 2 1 2 1 1 2 2 2 6 2 1 1 1 1 1 1 3 2 3 3 3 3 2 2 1 1 1 1 1 2 4 7 3 1 2 2 1 2 2 3 3 3 3 3 2 5 3 4 5 4 4 10 9 12 4 5 2 2 2 2 4 4 5 9 3 2 2 3 2 2 1 1 4 5 9 2 2 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 1 2 2 2 2 2 5 3 7 13 15 15 19 7 4 4 3 1 1 2 3 2 0 5 8 7 6 5 4 1 4 13 50 100 30 4 1 2 2 0 0 2 1 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 t 1H J 20 | 75 74 m 2H | 73 72 m 3H | 71 70 m 2H | 64 64 d 1H J 9 | 41 41 q 2H J 9 | 39 38 s 3H | 23 23 s 2H | 16 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1
ir: 2 2 2 3 1 5 3 1 3 3 4 3 1 1 1 1 1 6 1 2 1 0 0 0 0 1 2 1 1 1 0 1 1 2 1 0 0 1 1 0 2 1 1 2 30 10 1 1 1 0 0 1 2 1 10 5 4 2 1 0 1 1 1 1 2 3 4 2 3 3 2 1 1 1 0 1 3 2 1 2 15 4 1 2 8 100 4 4 2 0 3 4 0 0 3 2 1 2 2 1 3 1 1 3 1 0 5 1 1 1 0 0 1 1 0 1 1 0 1 5 1 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 3 0 2 2 1 1 1 1 2 2 12 10 1 1 1 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 1 2 2 3 8 15 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 0 0 0 0 1 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 dt 1H J 14 78 | 82 81 dd 1H J 12 87 | 79 78 m 1H | 77 76 dt 1H J 14 79 | 76 75 t 1H J 76 | 72 72 dd 1H J 12 74 | 69 68 m 2H | 68 67 m 2H | 41 41 s 2H | 39 38 t 2H J 71 | 33 32 m 4H | 28 27 m 4H | 26 26 t 2H J 61 | 19 18 tt 2H J 61 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(C(C)NC=O)nnc1CN(CC(C)C)C(=O)c1cc(F)ccc1F
ir: 3 6 8 10 9 5 4 6 8 6 1 7 3 3 2 7 2 3 5 6 11 17 7 18 2 12 12 32 20 12 7 18 11 7 14 6 13 11 17 10 4 18 51 15 8 9 12 20 6 5 5 5 5 6 62 3 11 17 4 7 10 1 3 10 3 11 55 13 37 15 39 13 6 10 11 3 5 2 3 1 2 3 7 8 11 3 27 3 8 6 1 2 7 5 3 6 6 3 6 3 5 32 13 10 11 39 10 20 17 28 13 18 6 20 9 7 14 10 13 24 8 11 16 21 8 11 7 22 49 27 8 9 10 17 49 39 25 19 16 23 15 60 31 14 34 8 31 25 15 2 100 5 11 18 15 66 13 21 18 12 1 7 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1 1 2 2 3 5 3 4 3 5 10 9 4 11 7 12 21 11 31 25 2 28 98 64 17 5 3 4 6 1 0 2 3 2 1 1 2 2 1 1 3 3 9 12 49 20 68 17 19 7 5 5 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 dd 1H J 18 79 | 77 76 ddd 1H J 26 35 121 | 75 75 q 1H J 9 | 75 74 dd 1H J 79 88 | 74 73 m 2H | 51 50 ddtd 1H J 16 60 68 86 | 46 46 s 2H | 32 32 d 2H J 49 | 27 27 td 2H J 9 71 | 19 18 dtt 1H J 50 72 145 | 18 18 d 3H J 64 | 18 17 h 2H J 74 | 10 9 m 3H | 9 9 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cl)c1cccc(C(N)=O)c1
ir: 4 1 2 1 3 3 2 1 2 1 1 5 3 4 5 11 4 3 3 15 18 3 8 2 2 3 2 1 1 1 2 1 1 3 3 1 13 39 50 8 3 1 2 4 2 0 1 4 5 1 1 2 1 0 1 2 1 0 1 2 1 0 1 4 3 1 2 2 2 3 2 4 3 2 7 2 1 1 2 7 2 1 2 2 1 1 2 2 1 1 1 7 4 2 2 2 1 1 2 2 3 1 2 1 0 1 2 1 0 1 2 1 0 2 5 3 1 2 6 3 1 2 2 2 3 4 13 6 3 2 2 1 1 1 2 1 1 2 2 1 3 3 2 1 1 25 3 3 2 2 2 1 2 2 5 50 5 7 48 8 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 3 5 9 28 13 2 2 3 1 1 1 2 1 1 2 2 1 1 1 2 6 26 1 1 1 1 1 1 1 2 1 1 3 7 100 3 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 79 td 1H J 7 21 | 78 77 ddd 1H J 13 22 75 | 74 74 m 1H | 74 73 t 1H J 78 | 73 73 s 2H | 50 50 m 1H | 19 19 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1ccc(O)cc1
ir: 1 0 0 1 2 2 1 2 2 1 4 2 1 2 1 3 1 1 0 0 1 0 0 1 1 0 1 1 1 0 0 2 1 0 0 1 1 2 0 1 1 0 0 1 4 1 1 1 1 0 0 1 1 1 5 36 5 3 1 1 1 1 1 0 1 1 1 0 1 4 1 1 0 1 0 1 3 1 1 7 39 10 2 2 1 1 1 3 28 18 2 1 1 0 0 1 0 1 2 1 1 0 0 0 0 0 1 1 1 1 2 0 0 0 0 0 0 1 2 3 1 1 1 0 1 2 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 9 12 6 1 1 5 1 1 0 0 1 0 0 0 2 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 2 7 2 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 3 2 15 10 3 2 1 2 1 3 8 100 35 0 2 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 2 2 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 dt 2H J 9 87 | 68 67 m 2H | 65 65 s 1H | 25 25 dt 2H J 9 70 | 19 18 dp 1H J 69 139 | 9 9 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc2nc(CBr)ccc2s1
ir: 1 2 1 1 2 1 1 1 1 2 2 1 1 0 0 0 1 0 0 1 1 0 1 3 2 5 2 3 2 4 1 3 4 4 11 6 4 10 2 3 4 1 1 2 1 4 20 20 52 20 7 3 44 7 44 7 2 2 1 1 1 3 6 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 3 2 0 1 2 2 1 1 1 2 2 3 1 0 1 1 3 3 4 13 2 1 1 0 0 1 3 3 3 3 2 2 1 1 1 0 0 0 1 1 2 2 1 1 1 1 1 0 0 1 1 0 1 4 10 29 49 15 8 2 2 2 2 2 1 2 2 3 7 11 12 19 46 32 5 4 23 100 19 4 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 2 1 2 3 6 11 15 28 27 8 52 5 24 2 2 2 1 2 1 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 74 | 73 73 dt 1H J 8 72 | 71 71 s 1H | 48 48 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(N)n(C)n1
ir: 15 12 10 33 33 9 12 13 40 25 10 9 40 15 11 5 4 6 10 6 6 7 9 5 4 8 6 5 5 8 8 5 4 6 8 8 4 6 7 3 6 6 5 4 4 5 5 3 4 5 4 3 4 6 5 3 4 6 4 2 4 6 4 4 5 5 4 3 5 6 5 3 10 33 69 12 18 33 8 5 4 5 4 4 4 5 9 16 12 4 3 4 4 4 4 4 5 4 3 3 4 4 3 4 6 4 3 4 11 6 5 7 7 15 20 21 14 27 10 6 5 4 4 5 7 4 2 9 37 55 6 3 3 4 4 3 14 6 24 5 5 3 3 5 4 3 4 4 4 5 7 51 7 0 19 39 4 3 6 8 12 100 32 4 5 6 4 3 4 4 4 4 3 4 4 4 4 3 4 4 3 3 4 4 3 4 4 5 3 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 4 6 5 3 4 5 5 3 6 5 5 4 5 5 6 5 17 6 8 6 12 16 26 12 5 6 4 3 4 4 4 3 4 4 3 3 5 15 37 7 4 4 3 3 4 4 3 4 14 26 71 5 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 67 66 s 1H | 49 48 s 2H | 44 44 q 2H J 64 | 38 38 s 3H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CCCC(N2C(=O)C(=Cc3ccc(-c4ccc(C5CCCCC5)cc4)o3)SC2=S)C1
ir: 1 2 5 3 3 4 4 5 7 4 6 9 7 19 10 12 26 25 23 35 12 37 83 11 24 10 4 4 2 5 3 2 4 3 5 8 2 3 3 4 8 20 32 4 5 11 4 6 5 6 7 26 30 33 38 18 15 42 13 14 10 6 5 2 3 5 2 1 4 4 7 2 8 6 4 13 23 12 59 40 16 16 10 8 4 5 4 4 11 12 6 6 5 4 4 3 4 9 10 6 4 3 5 7 22 5 5 12 6 11 10 32 39 15 6 7 7 5 1 7 24 13 30 24 7 26 12 19 30 39 5 18 24 7 5 4 6 4 3 4 6 13 22 54 13 17 11 32 4 4 6 12 34 23 6 3 4 3 2 3 3 13 2 5 13 1 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 1 2 3 1 0 2 2 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 2 0 3 8 9 11 10 8 5 3 7 10 8 18 41 28 35 61 19 19 47 8 6 5 6 3 100 53 7 8 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 77 m 2H | 75 75 d 1H J 55 | 72 71 m 3H | 69 68 d 1H J 55 | 48 47 tt 1H J 69 79 | 27 26 m 1H | 25 24 m 1H | 24 24 ddd 1H J 70 80 130 | 23 22 m 1H | 21 19 m 3H | 19 18 ddt 2H J 57 82 132 | 17 14 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cccc(-c2nc(N3CCOCC3)c3nnn(C4CCN(Cc5ccccc5)CC4)c3n2)c1
ir: 5 5 5 5 6 6 5 5 5 5 6 5 6 6 5 5 6 6 7 5 6 5 5 5 5 5 5 5 5 6 6 6 6 6 6 5 5 6 12 8 6 5 6 8 6 9 11 26 6 6 6 4 5 7 23 25 6 6 5 6 5 5 5 5 6 5 6 8 6 6 5 5 6 7 6 6 6 9 7 9 12 10 6 5 13 9 7 5 5 6 5 5 5 5 5 6 6 6 6 6 9 5 5 6 5 5 6 5 5 8 5 5 5 6 7 6 6 5 5 5 5 5 5 7 7 7 6 8 5 5 6 6 10 6 6 8 6 5 5 5 6 9 6 6 6 8 25 8 5 4 4 6 9 0 27 4 10 25 6 4 4 5 5 4 4 5 5 4 4 5 4 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 4 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 6 5 5 9 8 11 18 11 8 6 4 5 6 6 100 7 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 5 5 5 5 5 5 5 4 4 5 5 5 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 77 77 ddd 1H J 12 21 93 | 75 75 t 1H J 22 | 74 73 dd 1H J 83 94 | 73 72 m 2H | 73 73 s 3H | 70 70 s 1H | 69 68 ddd 1H J 13 22 84 | 52 51 p 1H J 41 | 39 38 m 4H | 37 36 m 4H | 35 35 s 2H | 30 29 ddd 2H J 48 76 115 | 28 27 ddd 2H J 48 76 115 | 23 22 m 2H | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(-c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)cc2)cc1
ir: 4 1 2 2 0 1 1 1 1 3 6 2 1 2 2 6 4 1 2 6 7 5 2 5 2 10 2 1 3 3 10 3 2 5 4 3 2 1 2 12 26 10 9 3 4 1 2 1 2 3 1 2 2 2 17 16 7 3 3 2 4 3 1 3 5 5 2 2 1 7 2 3 1 1 1 1 1 1 2 2 5 15 7 2 2 2 1 1 1 10 5 2 2 1 2 17 3 4 3 1 1 1 0 0 1 2 1 3 3 1 2 3 4 3 1 1 1 2 1 2 5 3 6 7 1 4 2 2 2 6 6 5 2 1 2 0 1 1 1 0 2 10 48 32 30 30 13 8 8 8 3 28 9 0 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 1 0 1 1 1 1 2 6 3 11 100 60 19 4 2 1 2 2 1 0 0 1 1 1 1 1 1 1 1 1 1 3 2 4 11 11 6 5 2 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 78 77 t 1H J 49 | 77 76 m 2H | 76 76 m 2H | 73 72 m 2H | 72 72 dt 2H J 9 84 | 71 70 dt 2H J 9 84 | 36 35 t 2H J 9 | 35 34 q 2H J 52 | 29 29 tt 2H J 9 53 | 28 28 m 4H | 27 26 qt 2H J 9 73 | 19 18 p 4H J 19 | 12 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(c2ccccc2)CC(=O)Nc2ccc(Cl)cc21
ir: 1 1 1 1 1 1 1 4 1 1 1 1 1 2 0 1 1 3 3 1 1 1 1 4 1 1 2 1 1 2 4 28 11 2 1 2 1 1 3 5 1 14 3 1 1 1 1 1 1 0 1 3 2 16 18 1 1 1 1 1 2 0 1 0 1 1 2 4 2 5 1 1 0 0 1 1 1 1 1 2 1 1 1 0 1 0 1 1 1 1 1 1 1 4 1 1 0 1 1 2 7 1 0 1 2 1 0 2 1 1 1 1 1 1 2 1 1 2 1 2 2 6 5 1 0 1 1 1 1 1 1 2 5 4 2 7 1 1 0 1 1 1 2 6 5 3 2 2 1 1 5 2 2 4 3 100 3 2 1 0 1 1 4 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 1 1 1 1 1 1 1 7 9 8 15 7 3 1 2 1 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 2 4 2 10 12 4 3 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 75 75 d 1H J 78 | 73 72 m 8H | 33 33 d 1H J 176 | 31 30 d 1H J 176 | 16 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1ccc2cccc(O)c2[nH]1
ir: 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 3 1 1 1 1 1 1 4 1 1 3 3 4 3 2 2 1 1 1 3 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 3 7 3 6 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 3 3 2 1 1 1 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 9 2 1 2 0 1 2 6 100 6 0 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 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; 1HNMR: 99 99 s 1H | 90 89 s 1H | 78 78 d 1H J 98 | 76 75 dq 1H J 9 80 | 73 72 t 1H J 82 | 69 69 dd 1H J 11 82 | 65 64 d 1H J 99
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2-c2c3c(cc4ccnc1c24)OCO3
ir: 12 4 0 4 8 5 3 11 9 7 1 5 7 3 1 5 7 4 1 10 40 13 20 8 12 72 7 6 11 11 7 6 7 4 6 15 8 9 20 8 8 2 9 12 9 5 23 24 7 1 3 8 5 1 4 8 5 0 5 8 4 1 5 11 5 3 100 12 34 7 6 6 6 10 38 37 6 2 7 7 4 3 6 6 3 2 9 17 4 3 6 11 5 3 7 6 2 3 7 7 5 4 6 5 3 12 17 8 2 6 7 7 30 30 17 7 5 10 43 18 4 5 7 4 1 5 8 11 1 5 7 3 2 6 9 3 1 11 28 15 3 5 5 3 10 19 10 12 27 6 6 16 10 6 5 6 11 12 8 53 9 7 5 2 4 6 5 13 13 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 2 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 1 3 6 4 1 3 6 4 1 4 7 4 1 4 6 3 1 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 3 2 5 5 2 3 5 5 2 3 6 5 2 3 6 5 2 4 6 4 2 4 5 4 3 4 7 5 14 7 31 33 17 9 10 17 9 6 8 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 4 5 3 2 4 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 2; 1HNMR: 87 87 d 1H J 44 | 83 82 dd 1H J 13 76 | 81 81 dd 1H J 14 81 | 78 77 m 2H | 76 76 td 1H J 13 76 | 74 73 d 1H J 23 | 60 60 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc2scc(CN3CCN(c4ccccn4)CC3)c2c1
ir: 8 2 2 6 3 10 4 3 1 2 2 3 3 3 1 2 4 2 3 1 2 1 1 1 1 3 1 6 6 22 2 1 1 13 1 4 3 5 7 100 11 5 3 1 3 5 1 0 1 2 3 5 42 57 13 6 3 31 21 11 5 5 3 1 4 3 5 5 19 8 2 2 15 3 1 13 4 3 12 15 22 3 4 7 42 9 4 8 5 2 1 2 4 5 3 4 4 3 5 7 14 6 6 8 2 3 3 6 1 1 1 3 4 2 1 1 2 1 6 14 4 2 2 3 5 2 2 1 9 4 3 4 5 7 6 9 6 7 12 6 53 12 4 2 2 7 27 7 8 6 5 3 3 8 11 4 3 7 55 20 11 2 4 2 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 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 2 2 1 1 2 2 2 3 8 9 13 76 47 15 22 4 7 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 dd 1H J 17 45 | 76 76 m 2H | 75 75 td 1H J 17 72 | 74 74 dd 1H J 26 77 | 74 73 d 1H J 11 | 68 68 dd 1H J 14 70 | 67 66 ddd 1H J 14 45 73 | 38 38 d 2H J 10 | 36 35 t 4H J 53 | 30 30 dt 2H J 52 114 | 29 29 dt 2H J 53 114
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc(-c2ccc3c(c2)CCCN3)cc1
ir: 6 9 58 19 6 20 21 7 5 4 4 3 3 6 4 3 3 17 4 5 6 4 4 2 3 4 3 3 3 3 3 6 3 3 5 15 13 6 5 1 2 4 4 1 2 4 4 2 3 5 4 5 13 57 36 25 31 7 3 1 3 4 3 3 10 30 17 7 9 5 3 2 3 7 3 2 3 5 3 2 3 3 2 3 3 7 9 15 7 4 4 4 4 9 4 3 5 4 17 29 65 6 4 3 4 3 2 3 3 17 9 14 90 14 2 5 7 12 5 5 5 9 9 12 12 5 4 7 5 3 6 4 3 2 2 4 5 7 1 55 9 6 10 15 45 3 6 9 39 7 4 5 10 48 9 7 5 3 3 5 10 0 2 5 13 2 2 5 3 0 2 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 4 2 2 4 4 2 2 4 3 2 4 4 4 3 4 5 3 3 4 6 6 4 15 14 29 68 65 21 7 7 7 8 5 4 3 4 2 1 3 4 2 2 4 4 5 2 7 12 18 100 29 29 22 7 3 3 3 3 3 3 5 9 4 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 4 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3; 1HNMR: 78 77 m 2H | 77 76 dq 2H J 14 109 | 75 75 dd 1H J 20 84 | 73 73 dt 1H J 8 19 | 68 68 d 1H J 84 | 35 35 t 1H J 38 | 34 33 m 2H | 29 28 m 2H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(N)=NC(=O)c1cccc(-c2cccc(NS(=O)(=O)C(F)(F)F)c2)c1
ir: 11 6 2 5 4 5 7 11 8 9 4 4 4 3 4 6 12 5 4 3 3 2 4 5 7 6 10 12 6 14 26 13 17 46 25 58 25 32 25 26 7 7 10 26 29 12 21 34 22 3 4 10 7 4 4 5 5 2 3 5 4 0 3 5 14 7 9 11 25 19 7 6 2 3 8 5 30 39 10 10 10 6 7 6 8 13 16 5 1 3 5 5 1 5 21 33 35 21 23 19 3 51 54 23 9 10 13 7 4 5 5 8 2 6 6 4 8 9 7 6 5 6 3 6 11 12 8 14 4 5 4 6 7 9 8 5 8 8 13 48 12 10 9 2 4 5 9 13 5 5 4 6 10 10 6 8 18 16 15 12 43 59 36 18 23 16 15 2 10 7 4 0 2 4 2 1 2 4 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 3 2 1 1 2 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 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 2 3 2 1 2 2 2 1 2 3 2 1 2 4 3 3 3 3 2 3 22 34 38 11 6 30 29 12 5 8 7 5 5 5 10 16 24 66 12 15 8 13 8 9 8 6 16 46 68 100 4 2 7 4 1 2 4 4 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1; 1HNMR: 100 100 s 1H | 82 82 t 1H J 15 | 80 79 d 4H J 70 | 79 78 m 1H | 77 76 m 2H | 76 76 t 1H J 21 | 74 74 m 1H | 74 73 t 1H J 76 | 73 73 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4ccccc4)cc32)N=C1N
ir: 2 2 0 3 3 1 2 3 2 1 4 15 2 3 1 2 3 2 2 3 4 7 3 6 3 2 10 10 5 12 9 15 8 3 15 10 3 5 6 3 19 23 7 3 1 2 1 2 2 2 1 1 1 5 7 18 1 1 1 2 1 0 1 2 2 1 14 5 5 6 4 19 1 0 5 6 2 3 2 3 1 0 2 2 0 1 2 5 1 1 11 2 1 0 1 2 2 2 3 1 1 1 1 1 1 4 2 1 1 3 3 2 1 2 1 2 2 6 11 2 1 2 2 3 0 2 2 5 2 2 5 1 1 1 3 12 4 2 4 2 6 20 44 9 6 3 4 3 23 23 10 35 17 5 2 3 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 3 7 6 11 77 21 2 3 4 2 1 2 1 1 1 2 2 2 1 2 2 2 11 25 4 1 1 2 2 1 1 3 1 10 100 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 m 3H | 75 74 m 3H | 74 73 m 6H | 71 70 d 1H J 79 | 65 65 s 2H | 55 54 dd 1H J 56 63 | 33 33 s 2H | 29 28 dd 1H J 60 137 | 26 25 dd 1H J 60 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1cnc(CC(C)C)s1
ir: 6 7 1 4 11 4 1 4 5 3 7 13 6 2 1 3 4 2 1 4 7 4 2 4 5 3 4 6 8 8 2 9 13 38 18 14 8 1 2 5 5 4 9 26 29 4 4 6 4 4 5 4 4 2 8 5 4 4 5 16 22 14 9 8 4 6 4 7 2 2 6 6 3 2 9 9 6 27 6 8 7 1 6 6 6 3 4 3 1 2 4 3 2 2 7 10 57 14 14 13 21 9 7 6 1 4 8 18 10 10 13 36 20 5 6 4 10 15 31 21 21 14 13 5 3 12 29 32 33 4 16 11 15 8 10 4 2 3 3 3 2 3 3 3 7 8 100 21 3 6 4 1 2 4 3 0 1 4 2 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 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 1 4 3 2 3 4 4 6 17 10 8 6 6 13 12 1 9 17 14 11 25 58 92 51 6 9 9 41 9 5 3 2 3 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 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 3 3 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; 1HNMR: 83 83 s 1H | 36 35 s 3H | 31 31 s 3H | 29 29 d 2H J 57 | 21 20 dddd 1H J 58 69 125 135 | 10 10 d 7H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC12CCC(C(=O)O)(CC1)C2)OCc1ccccc1
ir: 1 1 1 1 2 2 2 1 3 4 3 2 4 1 4 2 4 8 4 13 66 41 79 21 22 12 8 16 4 3 4 3 3 2 5 4 3 3 4 17 12 38 17 43 10 3 2 1 1 3 2 2 1 1 1 1 4 2 5 1 1 1 4 1 5 1 5 3 2 1 2 9 6 5 2 3 3 6 19 43 19 2 3 5 2 4 18 4 3 4 2 2 2 2 3 1 2 2 4 2 3 2 1 2 4 8 4 5 2 1 3 3 1 1 1 1 2 3 2 5 3 4 2 6 4 13 4 7 2 1 1 1 1 3 19 3 14 1 1 2 6 7 19 46 57 43 24 4 17 3 13 4 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 7 6 3 3 1 1 1 1 3 6 11 22 18 20 23 7 2 1 1 3 2 46 74 100 28 0 1 1 1 0 1 1 1 1 14 6 33 19 34 15 15 5 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 d 4H J 41 | 73 73 ddd 1H J 34 49 83 | 56 55 s 1H | 50 50 s 2H | 21 20 m 6H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2cc(OS(=O)(=O)C(F)(F)F)ccc2c(N)n1
ir: 27 13 10 15 17 15 18 16 20 23 23 20 10 13 16 11 14 12 13 11 14 14 15 16 27 15 15 23 26 17 28 18 12 17 17 14 14 14 12 11 13 10 13 12 10 12 15 16 12 12 19 30 13 13 14 12 15 13 12 11 15 11 10 12 12 14 12 12 12 12 31 23 62 32 15 12 10 11 10 12 12 11 9 10 23 66 43 12 9 15 9 9 9 10 9 9 12 21 21 10 9 11 10 9 9 9 9 9 9 9 10 9 9 18 10 11 11 9 9 10 12 10 9 11 10 10 10 10 12 10 10 10 13 16 13 10 10 10 11 10 23 24 15 17 18 20 39 28 12 18 11 9 14 15 24 25 9 18 15 10 9 10 9 8 9 11 9 0 38 6 9 11 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 8 8 9 9 9 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 9 10 17 45 37 12 10 9 10 9 9 9 9 9 9 10 10 10 10 10 11 14 33 9 12 10 9 9 11 10 9 10 16 36 100 19 11 9 10 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9; 1HNMR: 79 78 d 1H J 93 | 74 74 t 1H J 24 | 71 71 dd 1H J 24 92 | 70 70 dd 1H J 7 21 | 64 63 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncnc2sc(NC3=NC[C@@]4(CN5CCC4CC5)O3)nc12
ir: 4 5 2 3 4 7 5 3 3 3 2 3 4 6 3 5 6 5 5 9 28 43 11 73 34 10 16 5 14 5 4 4 4 8 9 3 3 5 4 9 11 13 4 29 21 20 9 5 15 5 4 7 3 5 2 2 2 3 2 1 2 2 3 2 2 2 2 2 4 13 4 3 5 7 14 2 3 3 2 8 6 6 4 3 3 3 3 2 2 3 3 2 3 3 2 3 61 4 4 3 3 3 11 11 8 4 2 5 6 10 3 2 2 3 7 4 5 5 19 30 8 4 1 8 6 3 1 6 4 2 2 3 3 1 1 3 3 1 1 3 4 0 0 8 13 68 58 33 13 51 55 4 8 18 7 48 58 3 3 1 3 4 2 2 2 2 2 3 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 3 2 3 2 4 4 2 9 4 3 2 2 2 2 2 2 2 2 2 3 2 3 3 2 2 3 3 2 2 4 3 2 3 4 11 9 69 100 8 4 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 98 97 s 1H | 85 84 s 1H | 42 41 d 1H J 121 | 41 41 s 3H | 41 40 d 1H J 121 | 34 34 d 1H J 124 | 32 32 d 1H J 126 | 29 29 ddd 2H J 44 70 115 | 29 28 ddd 2H J 44 70 116 | 23 22 p 1H J 44 | 19 18 ddt 2H J 44 70 125 | 16 15 ddt 2H J 43 69 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cc(-c2cccc(F)c2)on1
ir: 2 2 2 2 1 1 2 1 1 1 1 1 1 3 3 2 2 3 3 2 2 6 4 1 1 3 2 5 10 23 11 11 4 2 3 2 1 1 2 1 1 1 1 3 3 100 22 17 5 2 11 0 1 3 1 2 4 4 1 0 3 1 1 0 1 2 6 20 6 3 1 1 10 4 2 10 2 2 2 2 3 3 3 1 1 3 2 1 1 1 0 1 1 2 4 1 1 7 1 8 4 2 1 2 2 2 4 4 6 6 0 1 3 2 12 9 6 3 4 3 3 4 7 4 4 8 10 5 8 4 6 2 2 3 33 7 5 1 6 2 12 11 6 2 2 4 12 10 9 1 7 2 3 1 2 4 2 1 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 2 2 1 2 2 3 8 3 7 37 39 10 3 2 2 2 1 0 1 1 1 0 1 1 1 0 2 1 1 3 1 1 2 14 17 4 3 1 2 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 t 1H J 59 | 77 76 ddd 1H J 12 23 90 | 75 73 m 4H | 71 70 m 3H | 69 68 m 1H | 45 45 p 1H J 45 | 41 40 d 2H J 60 | 38 37 ddd 2H J 60 87 123 | 34 33 ddd 2H J 60 88 123 | 23 22 dddd 2H J 45 60 88 131 | 20 19 dddd 2H J 46 60 88 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCc2cc(OCCCCSc3ncccn3)ccc2N1
ir: 1 1 3 2 1 1 2 2 1 2 2 2 2 2 3 3 3 7 3 2 1 2 3 5 2 8 7 8 4 5 19 12 6 3 6 11 4 3 5 1 2 2 4 3 2 3 2 3 4 9 24 63 28 20 15 6 2 4 5 3 3 3 6 0 12 5 2 2 4 6 3 4 2 1 1 2 3 4 2 2 3 3 1 1 1 2 2 2 2 3 1 4 5 2 1 1 4 21 4 2 2 1 1 1 2 3 2 3 6 4 0 2 5 4 0 6 12 100 21 4 1 3 5 3 2 2 3 1 1 2 3 2 7 3 1 3 9 2 4 9 54 11 6 2 1 1 1 1 2 3 5 5 10 5 32 29 12 5 3 1 2 2 2 9 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 2 3 3 3 3 2 1 2 2 3 20 12 7 6 15 13 4 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 4 2 2 3 3 8 13 3 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H | 85 85 d 2H J 37 | 74 73 d 1H J 89 | 72 72 t 1H J 37 | 68 68 dd 1H J 22 90 | 67 66 dt 1H J 9 20 | 40 40 t 2H J 57 | 33 32 t 2H J 78 | 29 28 ddt 2H J 8 59 77 | 28 27 m 2H | 20 19 ttd 2H J 11 67 77 | 19 18 ttd 2H J 11 57 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCCCn1c2c(c3ccccc31)CCOc1ccccc1-2
ir: 1 1 3 3 2 1 2 3 3 2 2 1 1 2 1 1 2 1 1 2 2 6 1 2 2 1 1 1 1 1 1 1 1 2 2 2 1 2 5 3 5 8 72 38 17 8 3 2 2 1 5 2 1 1 1 3 2 3 1 2 3 1 1 3 9 2 2 6 3 6 64 2 2 3 2 3 10 1 1 1 1 1 3 2 2 5 1 3 5 2 1 1 2 2 1 1 1 1 3 2 3 13 5 4 3 2 2 2 2 7 2 2 2 3 5 3 3 6 4 7 5 6 4 2 4 8 3 4 8 3 3 3 2 3 3 1 0 43 18 15 2 2 2 5 14 22 2 2 2 6 5 9 3 1 1 2 1 1 1 2 4 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 5 5 5 3 2 2 3 3 2 5 16 6 12 100 70 6 8 1 2 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dt 1H J 8 69 | 77 76 dd 1H J 13 69 | 74 73 dd 1H J 16 63 | 74 73 m 2H | 72 72 qd 2H J 14 69 | 70 69 dd 1H J 12 78 | 43 42 t 2H J 59 | 42 42 t 2H J 47 | 37 36 t 2H J 31 | 31 30 t 2H J 59 | 21 21 tt 2H J 31 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(CSc2nc(N)cc(Cl)n2)c1
ir: 8 4 12 7 6 5 3 4 2 3 5 2 5 5 8 6 2 6 4 13 3 5 6 5 4 3 2 2 1 3 2 2 3 1 1 3 3 2 3 1 4 3 3 2 4 2 5 8 9 22 11 36 5 8 2 1 2 6 4 1 3 5 14 46 30 11 5 11 4 5 2 4 2 2 5 13 3 3 2 1 2 3 2 1 2 1 1 3 3 9 4 1 1 1 1 1 1 1 2 1 1 1 1 11 4 1 0 1 2 1 1 2 4 13 1 1 1 1 0 1 1 1 1 2 2 3 4 3 3 1 0 2 2 1 1 2 2 2 1 85 33 2 80 10 3 7 7 31 18 23 31 10 6 3 7 6 13 76 26 10 4 2 2 2 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 1 2 1 1 2 2 1 0 1 2 1 0 4 6 2 93 18 4 3 2 1 1 1 1 1 1 3 1 1 1 1 5 11 21 30 13 5 2 1 0 2 2 1 2 5 48 100 8 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 72 72 t 1H J 73 | 72 71 ddq 1H J 10 21 73 | 69 68 m 2H | 63 63 s 1H | 60 60 s 2H | 44 43 t 2H J 8 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1F)c1cc(Cl)ccc1C#CCO
ir: 8 6 3 8 5 4 10 7 5 2 1 2 4 3 1 2 3 2 2 2 2 1 1 1 1 1 1 1 13 5 1 1 2 9 3 0 1 3 8 100 49 10 15 18 8 1 1 3 2 1 3 3 3 12 26 6 2 2 1 2 3 2 1 3 6 5 10 8 9 1 4 3 2 2 8 6 3 2 2 4 3 10 9 10 16 16 17 37 8 18 4 7 2 2 5 3 1 6 10 3 1 1 1 1 1 3 17 5 0 1 1 1 1 1 1 1 1 2 20 11 12 5 3 4 4 43 25 1 0 2 2 1 6 2 2 2 5 49 5 0 2 23 4 1 1 3 9 7 22 11 8 14 3 7 2 4 1 2 11 7 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 2 2 2 1 2 3 2 1 3 4 9 6 32 90 42 27 6 7 3 2 7 18 24 7 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 ddd 1H J 16 40 87 | 77 77 d 1H J 25 | 76 75 m 2H | 74 74 dd 1H J 25 81 | 74 73 m 2H | 45 45 d 2H J 62 | 26 26 t 1H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)cc(Cc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1
ir: 3 1 0 3 3 2 0 2 2 1 0 2 3 3 1 2 3 1 3 2 2 1 1 2 3 3 3 4 6 2 1 2 3 2 6 8 2 0 1 2 3 1 2 2 2 3 6 8 2 1 2 7 5 3 22 100 44 14 8 6 6 2 3 3 2 1 5 5 5 2 2 4 4 6 5 6 2 1 2 3 2 1 2 2 1 1 2 2 2 1 3 3 7 6 15 3 1 2 3 3 2 3 3 7 6 7 6 2 1 1 3 2 0 1 3 4 2 2 3 2 3 5 4 2 1 3 4 3 4 4 4 2 1 2 3 3 1 2 2 2 1 2 2 1 2 7 7 2 2 3 2 1 1 2 2 2 3 33 21 2 14 6 4 13 84 13 5 0 2 3 2 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 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 1 2 3 2 1 3 6 4 3 8 5 6 7 5 3 3 2 2 2 1 1 2 2 1 1 2 2 3 4 3 3 2 3 13 18 56 9 8 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 96 95 s 1H | 92 92 s 1H | 69 68 m 2H | 68 67 t 1H J 21 | 38 38 t 2H J 9 | 30 29 hept 1H J 69 | 21 21 s 6H | 12 12 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(F)(F)F)n1
ir: 5 4 3 4 10 4 4 4 3 3 2 3 3 3 2 3 5 5 3 4 4 2 2 3 3 2 2 3 3 2 2 4 4 10 4 4 4 2 2 4 3 2 2 4 4 3 16 11 15 8 4 4 3 2 3 5 4 2 3 4 3 2 5 6 13 3 4 3 3 2 3 3 8 6 7 3 4 13 4 6 6 5 7 6 3 3 3 3 3 3 3 3 3 4 10 4 9 5 24 10 6 4 4 3 3 3 4 3 4 5 4 3 2 5 5 8 6 4 4 3 2 3 3 3 2 3 3 3 2 5 8 4 3 3 3 3 4 4 78 3 2 4 5 6 8 5 4 2 2 5 4 1 2 12 14 17 80 5 4 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 3 8 4 0 13 100 18 18 5 3 3 4 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 76 75 m 2H | 66 66 dd 1H J 19 67 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc2c(CCN(C)C(C)C)c3c(C)cnc(C)n3c12
ir: 14 7 26 24 24 40 19 12 3 17 2 14 30 20 4 3 9 10 15 4 3 4 4 5 2 1 2 1 2 3 15 6 4 4 2 4 10 5 14 4 2 3 3 4 5 10 37 27 23 12 16 11 5 3 2 2 3 1 2 1 2 6 3 4 10 11 12 13 15 6 7 17 14 8 5 32 20 10 4 10 5 3 2 7 6 10 28 58 11 5 21 63 46 31 21 7 33 31 17 8 6 11 15 6 19 10 13 8 6 4 9 12 4 8 4 10 5 9 9 25 21 17 8 13 4 5 9 9 9 13 12 41 19 5 8 12 16 70 9 12 71 18 4 3 3 5 22 63 4 5 1 3 8 100 10 1 0 9 18 23 2 1 1 0 0 1 1 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 3 8 8 3 0 2 4 4 2 5 9 9 15 11 25 85 51 43 100 71 22 4 2 2 2 2 2 2 2 1 1 1 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 q 1H J 14 | 77 76 dd 1H J 11 73 | 72 72 t 1H J 71 | 71 70 dq 1H J 9 70 | 34 33 t 2H J 60 | 30 29 dtq 1H J 15 70 139 | 29 28 m 4H | 25 24 s 2H | 23 23 dd 6H J 15 89 | 13 12 t 3H J 69 | 11 11 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)CC1(C(=O)O)CC1)c1cc(C(=O)O)[nH]n1
ir: 1 2 2 2 4 2 2 2 2 4 0 3 5 5 5 4 12 9 6 6 30 14 25 28 4 7 7 13 23 4 4 6 3 3 2 2 2 2 6 3 4 6 3 5 3 6 17 8 4 3 4 9 5 13 3 2 6 2 2 2 2 1 2 2 2 2 2 4 2 3 13 2 3 3 5 23 5 17 42 10 8 4 6 7 4 3 3 3 5 2 5 2 2 2 3 2 4 2 4 3 9 4 2 2 1 2 3 3 3 4 2 2 2 2 7 3 3 3 5 5 3 4 3 3 1 20 3 2 3 2 13 6 2 2 3 6 2 2 3 2 2 5 23 46 13 8 4 15 7 4 5 5 4 2 5 2 2 2 2 2 2 2 4 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 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 3 7 11 12 6 9 4 4 3 2 1 64 100 6 5 3 1 2 2 2 2 3 4 4 3 3 9 19 14 3 7 4 3 2 3 3 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 79 79 d 1H J 99 | 77 77 s 1H | 76 75 m 4H | 75 74 m 2H | 74 73 m 1H | 72 71 dq 2H J 9 84 | 42 41 dtt 1H J 59 68 97 | 30 29 ddt 1H J 9 68 138 | 27 26 ddt 1H J 9 68 139 | 22 21 dd 1H J 59 137 | 20 19 dd 1H J 60 138 | 14 13 m 2H | 12 11 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cc(C#CCN2CCOCC2)c2c(c1)ncn2-c1ccccc1
ir: 5 2 2 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 3 1 1 2 3 2 3 5 3 5 6 2 3 2 2 3 14 4 1 2 2 1 1 1 1 2 3 1 1 2 2 2 1 2 2 1 0 0 2 2 3 11 14 3 1 3 1 2 1 2 2 2 4 14 12 1 1 1 1 1 2 3 2 1 0 1 2 1 0 1 1 1 25 7 40 3 4 1 2 11 2 1 1 1 1 2 1 2 2 1 8 1 0 1 1 1 1 4 1 1 1 1 4 4 1 1 1 2 1 6 2 0 0 0 1 10 2 1 3 7 1 1 1 0 1 3 3 0 0 0 0 2 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 1 1 2 4 2 5 100 22 6 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 0 0; 1HNMR: 85 85 s 1H | 81 81 dq 1H J 9 19 | 79 78 dq 1H J 9 19 | 74 73 m 5H | 41 40 s 2H | 37 37 m 4H | 28 27 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCSC1CCN(C(=O)OC(C)(C)C)CC1
ir: 20 47 26 5 9 7 5 9 11 29 56 37 51 27 10 8 4 4 4 2 2 3 7 3 2 3 3 6 5 3 3 2 2 2 2 2 2 15 9 3 5 18 6 2 2 3 2 1 2 3 4 3 2 3 4 7 6 5 10 6 7 5 7 5 3 9 18 61 5 6 1 0 2 3 3 1 4 4 6 6 3 2 1 1 4 6 3 2 3 2 2 2 3 2 2 3 2 5 3 4 3 6 9 11 59 33 7 12 12 14 5 7 22 27 5 11 8 8 12 33 38 22 69 50 9 15 11 18 12 16 9 14 9 11 9 76 21 9 7 3 3 3 3 2 2 2 3 1 3 7 81 60 11 0 2 3 2 0 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 2 2 2 3 5 4 5 15 10 12 14 8 5 8 13 11 11 11 42 100 34 3 3 2 3 2 2 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 38 37 ddd 2H J 50 78 126 | 34 33 m 5H | 33 33 s 3H | 30 29 p 1H J 44 | 26 26 t 2H J 66 | 21 20 dddd 2H J 44 51 79 120 | 18 17 m 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1(CN)CCCCC1
ir: 2 1 2 1 1 1 1 1 1 2 3 2 1 1 3 1 2 1 1 1 0 0 1 1 1 2 3 1 2 1 1 0 1 1 1 1 1 1 1 2 2 2 2 1 2 6 5 5 13 4 4 2 4 2 5 13 7 18 14 3 4 3 3 1 2 2 2 2 4 3 7 7 16 26 15 19 4 8 6 6 10 5 3 3 2 3 3 4 3 3 2 1 1 1 2 1 2 2 4 2 1 1 1 2 1 2 1 2 1 1 2 1 1 5 7 3 3 3 3 2 1 5 6 7 5 6 8 10 7 10 6 22 24 21 12 12 4 4 1 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 2 3 3 2 2 1 2 5 2 2 1 0 1 1 1 0 1 1 1 1 1 3 5 5 9 19 16 13 10 8 3 4 28 16 54 100 5 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 28 28 t 2H J 62 | 23 22 s 5H | 17 17 ddd 2H J 44 70 129 | 16 13 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc2cnn(CCN[C@@H]3CN4CCC3CC4)c12
ir: 7 7 9 13 3 4 5 19 3 70 6 6 4 3 5 11 2 6 7 1 3 8 7 3 1 2 3 3 4 3 2 1 2 3 7 2 1 3 8 16 2 5 8 9 13 24 10 15 29 28 13 12 43 8 6 1 5 8 4 1 5 8 5 26 37 22 4 2 3 25 8 4 8 10 1 9 57 4 13 8 9 29 21 2 3 3 1 1 7 9 2 4 7 5 2 9 63 32 2 13 23 28 9 8 9 13 9 11 38 20 35 33 3 8 6 20 18 19 27 17 15 16 11 12 11 13 7 11 16 10 4 4 5 2 3 11 16 34 22 8 12 9 4 13 37 24 4 7 6 2 1 5 9 1 2 3 2 0 2 5 9 3 1 2 1 1 1 2 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 2 3 3 2 2 4 7 7 6 9 6 3 3 3 5 6 16 12 12 15 43 13 6 3 4 3 2 1 3 4 2 1 2 3 3 4 11 18 76 100 45 21 8 2 3 3 1 1 3 2 0 1 2 2 0 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 80 ddd 1H J 11 18 79 | 80 80 d 1H J 18 | 80 79 dd 1H J 11 71 | 74 74 m 1H | 43 41 m 2H | 39 39 s 2H | 32 32 ddd 1H J 33 49 70 | 31 28 m 8H | 28 27 dd 1H J 33 114 | 26 25 dt 1H J 44 68 | 20 19 dt 1H J 40 47 | 19 18 ddt 2H J 45 75 129 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H](CI)C(=O)OCc1ccccc1)OCc1ccccc1
ir: 4 5 5 2 3 3 11 5 4 4 3 3 3 2 2 2 2 2 3 4 2 2 2 3 6 11 11 10 8 14 10 11 5 6 4 5 5 2 12 31 28 25 35 14 19 5 4 1 2 4 3 1 2 3 5 2 3 6 3 3 2 3 2 3 3 4 33 20 11 5 8 2 2 3 2 1 3 4 5 1 2 2 1 1 2 2 2 2 6 21 3 4 4 5 2 3 4 9 10 6 8 3 2 2 3 2 2 2 3 2 2 3 7 6 5 3 6 6 15 8 11 32 16 9 6 5 4 38 5 3 2 2 3 8 30 19 17 5 3 4 3 4 34 72 24 67 19 7 4 52 5 15 3 3 2 2 2 2 2 2 2 1 2 2 2 1 2 2 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 1 1 2 2 1 1 1 2 1 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 2 1 2 2 2 2 2 2 2 2 2 2 4 4 1 3 6 6 3 4 7 9 5 26 100 20 13 5 0 2 5 2 2 5 2 2 1 2 2 2 1 2 2 2 2 6 16 7 35 66 39 6 3 3 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 m 11H | 58 57 d 1H J 90 | 52 51 m 4H | 45 45 dt 1H J 48 89 | 37 36 dd 1H J 48 112 | 34 34 dd 1H J 48 112
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCOC(c2ccc(C)nc2C)C1
ir: 7 5 6 4 7 4 4 9 38 9 8 20 12 10 10 6 4 13 5 8 4 4 4 4 5 4 3 4 4 5 7 5 58 18 11 12 25 15 8 4 4 5 6 2 16 8 13 38 10 0 8 7 8 40 6 7 4 3 5 7 7 26 14 20 18 18 7 10 18 19 9 7 16 18 6 5 6 12 13 15 8 7 9 6 50 13 55 48 19 10 7 7 4 4 6 9 10 8 31 24 27 4 7 8 9 7 6 4 4 5 5 10 11 46 9 7 13 8 9 8 10 17 10 38 14 19 16 100 19 8 9 13 11 11 7 7 9 12 19 40 36 27 9 6 6 8 7 8 4 4 26 27 5 8 5 4 3 4 18 9 5 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 3 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 4 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 4 3 3 3 4 4 3 3 4 4 4 6 5 6 6 4 9 7 5 9 7 7 6 7 24 30 12 13 74 69 15 14 10 8 6 4 3 4 6 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 81 80 t 1H J 21 | 78 78 ddd 1H J 12 21 69 | 78 77 ddd 1H J 13 22 105 | 76 76 dd 1H J 71 103 | 74 74 m 1H | 70 70 m 1H | 48 48 m 1H | 40 39 m 1H | 38 37 ddd 1H J 42 69 108 | 27 26 dd 1H J 58 146 | 25 24 m 6H | 24 23 m 2H | 21 21 ddd 1H J 42 70 146 | 20 19 dq 1H J 82 145 | 18 17 dq 1H J 83 143 | 10 9 t 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.