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CCOP(=O)(Cc1ccc(C(F)(F)F)cc1)OCC
ir: 11 7 16 7 0 3 4 2 1 2 3 9 16 9 25 4 0 19 29 3 3 1 1 1 1 2 3 7 5 2 1 7 6 2 4 31 5 4 7 4 4 3 3 2 2 5 3 5 7 3 3 7 4 6 7 44 66 30 6 17 6 1 3 2 4 13 25 19 6 5 11 8 15 11 27 22 50 50 19 15 89 20 8 2 3 4 21 7 3 3 25 4 2 4 4 2 7 8 6 26 14 3 3 1 1 2 2 2 2 2 2 6 73 20 11 13 6 10 11 5 3 5 2 4 4 8 17 14 5 12 11 2 3 1 1 2 2 1 1 1 1 1 1 1 2 2 3 3 28 8 3 3 4 3 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 4 3 3 2 2 3 4 4 10 9 2 1 3 17 54 7 12 100 54 12 4 5 3 3 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 dq 2H J 14 70 | 75 75 dt 2H J 9 67 | 43 42 dq 4H J 72 84 | 33 32 dt 2H J 9 119 | 14 13 td 6H J 7 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1ccc2[nH]cc(C(=O)O)c(=O)c2n1
ir: 4 6 3 5 5 2 0 2 4 2 2 4 11 9 9 5 5 3 6 4 4 2 7 13 11 30 29 4 4 5 7 1 29 100 78 24 8 6 6 6 5 0 2 5 3 1 2 6 8 5 2 9 12 84 57 8 5 5 4 4 3 0 3 7 4 1 4 14 12 2 3 4 2 1 4 5 0 6 71 6 4 6 10 4 23 10 3 3 1 5 7 3 1 1 4 2 2 1 4 3 1 3 11 71 55 3 2 2 1 3 4 3 0 3 4 3 2 2 3 2 2 2 4 38 5 2 4 2 1 2 4 4 7 4 3 2 2 5 10 12 7 10 34 19 6 29 51 4 3 3 20 36 17 12 4 2 2 2 2 2 7 7 5 2 2 4 4 0 1 3 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 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 1 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 3 3 2 1 2 3 2 1 2 3 3 2 6 12 15 5 11 3 3 1 6 3 11 31 6 3 1 1 2 2 1 1 3 4 6 4 5 5 17 92 78 12 6 5 4 4 2 2 3 2 1 1 2 2 1 1 2 1 1 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 87 87 d 1H J 71 | 70 69 d 1H J 89 | 69 69 d 1H J 89 | 47 47 d 1H J 71 | 46 45 t 2H J 54 | 38 38 t 2H J 54 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c2c(c(=O)n1Cc1ccc(C(=O)O)cc1)[C@H]1CC[C@]2(C)C1(C)C
ir: 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 1 1 1 2 4 13 4 1 0 0 0 1 0 0 1 1 0 0 1 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 5 2 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 3 0 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 1 2 0 0 0 2 1 1 3 3 1 0 0 0 0 1 0 2 1 0 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 1 3 5 2 1 1 0 0 0 1 2 49 100 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 79 79 m 2H | 74 73 dq 2H J 9 85 | 49 49 t 2H J 10 | 31 31 s 2H | 29 28 th 1H J 15 46 | 19 18 m 2H | 17 15 m 2H | 11 11 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.
COc1ccn(-c2nc(C)c(C(=O)NCc3ccc(F)c(F)c3)s2)c(=O)c1
ir: 1 2 2 6 3 5 2 6 3 4 3 3 5 5 2 1 2 1 1 1 1 2 1 2 2 1 1 1 2 3 5 2 2 3 1 1 1 3 2 1 1 1 1 1 1 1 1 1 2 3 2 3 6 4 3 3 1 5 7 6 11 17 15 11 5 4 10 13 4 9 3 5 9 2 1 2 3 2 1 1 1 1 2 1 1 11 0 2 4 1 0 0 1 1 2 1 3 13 3 1 6 6 3 3 9 16 19 6 4 3 2 6 3 2 3 2 3 4 6 11 8 15 4 3 4 5 7 2 4 1 0 1 1 4 2 1 1 1 1 17 39 5 17 12 4 4 7 1 5 5 2 3 10 4 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 12 1 1 1 0 1 2 2 20 5 1 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 2 2 1 1 2 3 3 1 1 1 1 2 3 5 15 13 13 40 100 30 10 5 2 1 1 1 1 2 1 1 1 0 1 1 1 1 2 1 2 2 3 3 8 23 6 1 2 1 1 0 0 1 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 t 1H J 50 | 80 80 d 1H J 84 | 72 71 m 4H | 62 61 dd 1H J 13 84 | 54 54 d 1H J 13 | 46 45 dt 2H J 8 51 | 38 37 s 2H | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCCC[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O)OCC(Cl)(Cl)Cl
ir: 1 1 2 2 1 1 2 2 2 5 4 11 6 5 8 3 22 16 16 15 15 87 40 13 21 22 12 20 26 15 8 9 6 3 2 2 3 6 7 40 27 53 40 29 8 12 3 4 5 14 4 3 3 1 2 4 2 2 4 4 3 1 7 5 8 3 8 4 2 3 3 5 5 3 5 3 5 21 18 18 8 6 4 3 3 2 8 4 2 1 3 1 0 1 2 2 1 2 2 2 1 1 3 1 1 3 11 4 3 4 5 5 5 3 2 4 3 6 3 24 8 7 9 8 5 4 4 8 4 2 1 2 1 2 2 1 2 3 3 2 2 7 11 18 28 14 43 16 16 100 9 7 2 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 2 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 2 2 2 6 5 1 1 3 2 1 3 7 5 3 2 2 1 0 1 2 1 0 2 3 51 76 8 0 1 1 1 2 1 1 1 4 4 12 21 55 42 30 5 3 2 2 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 66 66 d 1H J 92 | 50 50 t 1H J 55 | 48 47 s 2H | 47 47 s 2H | 42 41 dt 1H J 62 90 | 31 30 q 2H J 53 | 18 17 dtd 1H J 62 85 139 | 16 15 m 3H | 15 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(NC1CCCCC1)c1cc(Br)cc(C(F)(F)F)c1
ir: 4 5 4 1 1 4 6 4 4 4 3 2 3 4 17 3 4 2 2 7 4 1 1 1 1 1 0 1 2 1 1 16 36 7 3 1 1 5 6 9 20 10 2 2 5 1 2 23 33 8 7 2 17 11 9 9 17 16 3 5 6 4 3 1 14 49 55 12 14 3 2 2 4 5 3 17 22 14 5 3 3 3 2 0 5 47 29 4 14 32 29 6 4 14 26 6 15 12 66 64 7 12 13 35 97 19 11 19 15 7 13 14 10 21 21 6 11 17 16 3 4 4 4 3 15 20 5 25 26 8 2 2 2 1 3 6 3 2 1 1 1 1 0 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 3 2 1 2 1 2 2 4 15 10 11 19 25 8 2 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 6 21 99 100 26 11 5 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 t 1H J 22 | 80 79 t 1H J 21 | 79 79 t 1H J 22 | 56 56 d 1H J 97 | 32 31 dp 1H J 58 97 | 18 17 ddt 2H J 59 86 125 | 17 16 m 2H | 15 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)C(C)(C)C)c(C)c1C(F)(F)F
ir: 8 6 9 2 1 1 2 1 1 2 4 2 8 4 4 4 4 4 3 2 6 17 7 7 8 4 7 10 2 2 3 0 1 2 4 2 6 24 69 8 14 7 5 4 2 9 4 1 2 6 4 4 4 9 25 17 13 6 10 9 9 12 14 5 2 3 2 3 6 5 3 1 3 3 1 2 5 4 1 1 3 4 27 5 3 3 10 14 2 4 2 2 5 6 3 4 9 15 100 14 1 1 1 3 4 2 1 2 2 12 6 2 6 4 6 5 4 2 5 4 1 4 4 2 2 2 2 6 10 4 3 4 3 2 1 2 2 1 3 14 33 11 3 5 6 12 51 37 5 6 57 37 15 5 3 6 5 3 2 2 1 5 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 2 2 4 4 2 3 2 0 1 2 1 1 2 4 15 11 12 14 12 29 17 7 2 2 2 3 2 1 1 1 1 1 1 3 2 1 2 3 3 11 6 8 11 43 76 35 16 2 5 3 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 s 1H | 74 74 d 1H J 82 | 69 69 d 1H J 84 | 39 38 s 3H | 23 23 s 3H | 12 12 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(OCC2CC2)ccc1CBr
ir: 2 1 2 4 11 4 1 1 1 3 2 2 1 2 2 3 4 2 2 1 1 5 2 2 1 1 1 2 4 10 2 1 3 4 10 5 8 17 7 16 20 8 4 2 3 2 1 1 1 2 2 1 2 2 21 13 5 6 7 2 7 2 3 7 7 21 10 10 14 11 32 34 43 6 3 1 1 3 1 2 1 2 3 10 11 11 15 29 4 5 2 4 8 44 31 6 3 2 1 2 1 2 2 2 3 13 8 3 4 2 1 1 3 4 4 2 2 3 4 9 6 3 1 2 2 1 1 2 2 3 7 2 2 2 1 1 1 1 1 1 2 2 4 30 11 9 9 8 11 14 20 12 12 11 11 3 2 0 1 1 2 9 5 3 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 2 1 1 2 10 6 2 3 6 15 22 22 43 9 30 53 100 33 11 9 7 6 5 1 0 2 2 1 0 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 71 70 dt 1H J 9 86 | 68 68 d 1H J 21 | 68 67 dd 1H J 21 85 | 46 45 d 2H J 10 | 40 39 d 2H J 44 | 23 23 s 2H | 14 13 pt 1H J 45 62 | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccc(C(=O)NCCc3cccnc3)cc2)nc1CS(=O)(=O)C1CCNCC1
ir: 11 17 5 8 10 7 20 24 23 6 4 4 7 5 1 3 6 4 4 10 11 23 25 12 6 4 3 5 6 1 3 9 5 14 24 7 4 3 8 11 8 19 16 33 21 10 7 12 5 1 3 5 4 3 5 8 13 8 8 9 8 2 11 17 19 5 4 14 100 7 9 5 5 6 5 15 2 2 8 5 3 2 3 4 3 4 36 11 1 2 5 4 2 3 9 3 2 3 8 8 27 14 7 8 4 7 14 9 3 4 8 9 16 9 15 11 81 14 9 16 5 15 14 14 8 7 13 10 10 27 17 4 1 3 4 2 1 3 5 20 9 17 23 29 14 12 4 5 2 13 6 3 3 37 5 2 1 3 6 5 2 3 2 1 2 3 2 1 2 4 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 2 2 3 3 4 7 7 15 4 8 4 4 7 7 13 40 5 12 31 58 33 9 3 5 1 3 3 2 1 3 3 3 4 4 3 6 3 22 37 9 8 6 25 13 5 6 4 2 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 0 1 3 2 0 2 3 2 0 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0; 1HNMR: 84 84 ddd 1H J 13 20 42 | 84 84 dt 1H J 10 21 | 81 81 m 2H | 79 79 m 2H | 78 77 t 1H J 50 | 75 75 dtt 1H J 8 18 77 | 72 72 dd 1H J 42 77 | 48 48 p 1H J 39 | 45 45 s 2H | 37 36 td 2H J 49 57 | 31 30 p 1H J 75 | 30 29 m 4H | 28 27 ddt 2H J 39 66 126 | 24 23 s 2H | 21 20 dddd 2H J 38 66 75 141 | 19 18 dddd 2H J 38 66 75 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NC(=O)C(C#N)=CNNc1c(Cl)cc(Cl)cc1Cl
ir: 1 2 11 4 1 2 2 3 4 8 3 2 1 2 2 2 2 3 2 1 1 1 2 1 1 2 2 2 3 3 4 1 1 2 2 2 2 5 5 3 3 2 3 8 4 3 2 2 3 3 3 5 2 3 3 10 4 69 11 7 4 8 4 9 10 6 72 14 17 3 3 6 3 2 3 6 14 2 2 1 1 1 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 3 2 2 1 1 3 4 1 2 1 1 1 1 3 1 2 2 1 2 2 3 5 1 2 3 3 5 32 75 10 5 2 1 2 5 13 16 32 8 2 3 4 3 2 2 3 3 1 2 5 7 0 100 31 0 8 2 1 3 2 9 0 2 2 2 14 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 9 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 1 1 1 1 1 1 1 1 2 2 2 2 4 3 3 16 8 5 2 2 2 3 2 1 2 2 2 1 2 3 2 3 3 3 6 5 4 4 13 27 33 14 52 9 13 5 3 6 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 44 64 | 86 85 d 1H J 64 | 84 84 s 1H | 74 74 d 1H J 44 | 74 73 s 2H | 42 42 q 2H J 63 | 13 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(=O)Nc2ccc(Nc3n[nH]c(N)c3C(N)=O)cc2)c1
ir: 1 1 1 1 1 1 1 3 1 1 3 8 2 1 1 1 1 1 3 3 1 1 2 4 2 2 1 1 0 1 1 1 1 1 1 1 1 4 1 1 3 2 1 1 1 1 1 1 2 10 7 3 2 1 1 1 3 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 3 1 1 1 2 2 1 2 6 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 1 2 1 1 0 0 0 1 1 0 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 2 3 3 3 3 2 1 1 0 100 0 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 7 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 4 3 2 2 2 1 5 7 5 3 1 2 3 28 7 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 97 s 1H | 86 85 s 1H | 78 77 m 2H | 76 76 m 4H | 76 76 s 2H | 74 74 t 1H J 81 | 73 73 t 1H J 20 | 70 70 ddd 1H J 10 17 79 | 65 65 s 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)O[C@H]1[C@H](O)C=CO[C@@H]1COC1CCCCO1
ir: 10 14 16 8 9 15 18 28 7 20 12 13 21 28 17 15 16 15 16 33 19 6 5 6 4 3 2 7 10 2 2 3 3 4 7 4 7 36 36 5 5 2 6 7 4 4 6 10 8 3 12 8 8 7 3 1 22 5 7 3 7 7 5 6 4 6 7 6 13 8 9 44 44 36 22 10 5 12 17 14 9 4 7 7 4 14 12 58 100 44 80 88 35 6 11 4 6 6 29 63 23 35 13 9 5 6 5 3 2 4 10 9 9 4 3 5 3 4 6 6 6 25 26 10 4 4 3 4 2 2 2 2 1 1 1 1 8 9 16 34 4 3 2 1 2 4 3 1 0 2 1 0 0 2 1 1 4 10 3 2 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 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 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 0 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 6 2 2 3 4 4 4 3 1 2 6 7 6 12 70 37 14 47 21 15 6 3 3 13 61 54 10 3 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 1 0; 1HNMR: 65 64 dt 1H J 21 77 | 53 53 m 1H | 48 47 m 2H | 44 43 dddt 1H J 25 62 70 86 | 42 41 m 1H | 40 40 dd 1H J 53 118 | 38 38 dd 1H J 51 117 | 38 37 ddd 1H J 36 61 111 | 36 35 m 1H | 34 33 d 1H J 62 | 30 30 s 3H | 18 16 m 2H | 16 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)nc1
ir: 1 1 0 4 4 1 2 1 2 4 1 2 2 2 3 2 1 3 4 9 1 2 2 3 4 5 7 11 33 14 5 7 6 17 25 29 13 3 6 12 7 11 8 4 8 22 74 9 7 4 4 6 9 13 10 4 4 2 1 2 2 3 7 5 2 0 1 3 1 4 9 4 1 1 1 2 1 1 2 2 1 1 2 2 3 1 1 3 7 5 11 23 4 2 5 6 12 3 11 3 2 3 2 2 0 2 2 1 1 1 4 7 1 4 3 1 1 2 4 3 4 6 5 4 2 9 2 2 2 3 3 3 2 3 7 3 2 3 3 7 2 3 4 4 42 48 46 17 28 41 48 0 100 3 10 4 4 6 3 8 9 37 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 2 7 7 2 5 7 11 6 6 8 9 4 2 2 1 1 1 3 2 1 2 3 5 3 3 4 7 8 8 11 9 72 63 40 13 17 9 3 2 2 2 2 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 91 91 s 1H | 86 86 s 1H | 81 81 m 3H | 80 79 d 1H J 76 | 77 76 m 1H | 75 74 s 1H | 23 23 d 3H J 9 | 15 15 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c2ccccc2c2c(C(=O)C(F)(F)F)csc21
ir: 6 3 4 3 3 5 4 3 2 3 3 2 2 3 3 2 2 3 5 5 3 3 3 2 2 3 3 2 2 3 3 2 2 4 4 2 2 6 4 0 7 100 30 9 6 3 11 4 4 2 3 4 3 3 3 3 3 3 3 4 3 4 5 4 4 12 3 3 3 3 4 4 5 4 4 3 4 6 4 3 3 3 2 3 4 4 4 3 3 3 3 9 3 3 3 3 3 4 24 22 4 11 5 3 4 3 2 3 4 3 2 3 3 3 3 3 3 3 3 10 8 3 2 3 3 4 7 4 3 3 2 3 3 3 3 3 5 5 11 11 8 3 3 5 12 4 3 3 3 3 3 20 7 3 2 4 3 2 3 3 3 2 3 3 3 2 2 3 3 2 2 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 4 3 4 4 5 9 26 11 10 15 8 4 4 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 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 82 81 s 1H | 79 79 m 1H | 75 75 m 1H | 74 73 m 2H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCOc1ccc(S(=O)(=O)N(C)C(C(=O)OC)c2ccc(O)cc2)cc1
ir: 21 11 13 21 28 12 4 26 20 10 5 29 15 29 12 14 9 11 12 3 7 3 1 4 5 5 4 4 4 3 9 6 4 8 9 10 3 3 3 5 3 4 5 4 10 9 11 20 17 6 6 17 13 7 36 100 79 25 7 4 7 5 10 18 13 15 12 3 3 20 9 11 9 6 5 13 19 24 11 62 64 42 56 64 32 22 60 37 57 19 31 22 63 39 11 10 7 8 28 17 18 7 4 2 1 2 13 2 1 2 2 1 2 1 3 2 2 4 14 15 7 5 10 14 3 19 2 4 9 2 3 1 1 2 2 2 1 2 1 1 2 2 7 33 11 4 18 27 52 27 8 4 20 5 3 1 1 2 2 2 5 24 3 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 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 3 1 3 2 2 1 2 4 2 1 2 4 4 1 4 11 15 8 54 100 30 6 10 2 3 4 3 17 28 4 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 77 76 m 2H | 76 76 s 1H | 71 70 m 4H | 68 68 m 2H | 50 50 qt 1H J 7 15 | 48 47 q 2H J 25 | 36 36 s 2H | 28 27 d 3H J 14 | 19 18 t 3H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2ncc(Br)nc2c(=O)[nH]1
ir: 1 1 1 0 1 1 1 2 7 12 10 5 1 1 2 1 1 1 1 11 13 6 7 4 3 7 6 4 5 1 1 1 4 1 1 1 1 1 1 0 2 1 11 14 16 6 3 3 10 35 23 5 2 2 1 1 2 0 3 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 6 14 42 8 3 1 2 2 0 3 5 2 1 3 9 4 13 3 1 2 1 1 1 1 0 1 1 1 5 4 1 1 1 1 1 2 2 1 1 1 2 7 12 15 12 1 1 1 3 3 0 1 1 1 0 1 4 1 7 9 2 1 1 1 1 14 6 3 1 1 36 9 2 0 16 6 1 1 2 8 100 75 8 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 0 1 1 1 1 2 1 1 2 1 1 3 3 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 7 24 25 23 30 16 5 1 1 1 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 90 90 s 1H | 27 27 q 3H J 69 | 12 12 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2c(F)cnn2-c2ccc(C#N)cc2)c(=O)n(C)c(=O)n1-c1cccc(C(F)(F)F)c1
ir: 2 4 1 4 9 7 4 4 3 4 6 3 10 4 2 5 3 3 3 4 3 3 3 5 6 18 10 3 3 2 5 7 10 10 20 3 3 2 9 11 12 6 2 9 4 2 4 8 11 67 79 6 4 7 3 3 12 72 4 0 2 3 2 1 3 5 8 3 7 22 4 2 9 3 5 2 2 3 2 5 6 4 4 3 4 5 5 5 14 3 4 4 4 3 2 12 5 4 7 6 15 4 3 2 3 2 3 6 22 6 4 5 6 16 4 5 13 6 2 4 4 4 2 6 10 18 4 7 13 6 3 21 16 2 2 4 7 4 2 5 14 69 12 5 3 2 2 28 19 4 2 14 34 39 12 45 24 3 3 5 16 2 10 11 1 6 2 0 2 3 2 1 2 2 2 1 2 2 2 1 2 2 17 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 1 2 2 2 1 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 1 2 3 2 2 3 3 3 6 10 15 47 100 22 20 6 3 5 4 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 79 78 m 4H | 77 77 m 2H | 75 74 dd 1H J 72 106 | 73 72 m 2H | 36 35 s 3H | 20 19 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(C2CCOCC2)c2nc(-c3ccc(-c4ncn(C5CCCCO5)n4)nc3)cnc2N1
ir: 3 9 5 4 13 5 1 5 9 12 16 18 16 40 32 33 15 10 13 6 4 7 4 8 10 31 9 7 17 14 53 100 40 20 17 17 26 16 15 1 6 4 5 5 8 1 10 14 10 10 6 23 21 15 25 9 6 21 7 5 3 2 3 2 3 2 10 27 7 33 18 6 8 14 11 19 8 14 7 4 4 2 2 1 2 8 6 11 10 2 8 6 20 62 15 16 11 4 11 10 21 83 15 16 14 12 7 16 4 5 6 18 32 51 21 12 10 24 31 16 23 10 7 9 23 30 10 7 22 68 11 7 23 9 8 14 22 14 11 7 1 3 6 5 5 45 31 4 2 8 25 3 15 6 3 3 30 41 41 7 4 3 7 56 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 2 1 2 3 5 3 11 4 3 6 5 5 3 33 23 19 9 33 21 5 3 4 2 0 1 1 0 0 1 1 1 0 1 1 1 0 2 2 1 4 10 46 30 29 9 9 8 4 2 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 d 1H J 20 | 87 86 dd 1H J 19 98 | 85 85 s 1H | 84 83 d 1H J 7 | 83 82 d 1H J 99 | 59 59 m 1H | 45 45 s 2H | 44 43 p 1H J 65 | 39 38 ddd 1H J 33 49 104 | 38 37 m 3H | 36 35 ddd 2H J 36 63 110 | 24 23 dddd 1H J 28 55 82 148 | 22 21 dtd 2H J 35 63 127 | 21 18 m 5H | 18 17 ddddd 1H J 48 55 70 81 127 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]nc(C2CCCC2)[nH]1
ir: 5 6 11 7 26 8 2 3 4 2 0 3 4 2 1 3 4 2 3 5 5 2 2 4 3 2 1 2 2 1 1 3 3 1 2 6 11 35 16 22 3 3 3 5 3 2 2 3 2 1 2 3 4 2 3 4 2 1 2 3 2 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 12 8 28 7 1 1 2 2 1 2 4 2 4 3 4 3 3 3 8 7 1 4 3 4 1 2 3 2 2 4 2 5 6 7 15 5 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 28 12 7 2 2 2 1 2 2 2 2 2 5 21 43 83 12 4 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 2 2 1 1 2 2 1 2 3 3 2 3 3 3 2 3 6 7 2 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 3 3 4 4 5 39 100 34 42 15 22 17 5 4 3 3 3 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 83 s 1H | 25 24 p 1H J 42 | 19 18 m 2H | 18 16 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCCc2cc(C3(C(F)F)CC3)ccc21
ir: 13 10 5 8 13 9 0 11 17 7 3 13 24 9 8 19 25 7 9 19 13 6 86 14 22 7 4 12 10 8 14 43 20 87 25 41 20 57 7 30 50 63 26 42 21 2 5 14 9 1 8 21 9 10 9 21 47 14 24 14 6 2 15 13 10 2 19 37 40 53 56 13 26 18 17 19 7 1 13 20 8 4 11 11 4 9 15 26 8 9 55 11 3 7 12 25 8 6 12 8 1 5 14 10 5 55 13 7 2 7 12 8 8 17 23 9 2 11 29 13 21 32 32 12 8 14 23 65 23 21 19 29 6 12 11 8 5 11 16 11 23 99 34 6 4 10 10 5 6 23 43 23 11 23 14 4 97 46 11 8 10 13 17 10 7 11 6 1 6 12 6 0 6 11 6 1 6 11 6 1 7 11 5 2 7 10 5 2 8 10 4 2 8 10 4 3 9 9 3 3 9 9 3 4 9 8 3 4 10 8 2 4 10 7 2 5 10 7 1 5 11 7 1 5 11 6 1 6 11 6 1 6 11 6 1 7 11 5 2 7 10 5 2 8 11 5 3 8 10 4 3 8 9 4 4 9 9 4 4 9 8 3 4 9 8 3 4 10 8 3 5 10 7 2 8 12 11 6 8 11 13 27 13 31 17 11 67 99 33 16 20 26 12 10 12 10 6 4 8 11 5 4 9 10 7 5 12 15 13 15 45 100 56 29 25 10 4 5 9 8 4 5 9 8 3 5 10 7 2 5 9 7 2 5 10 6 2 6 10 6 2 6 10 6 2 6 10 5 2 6 10 5 3 7 9 5 3 7 9 5 3 7 9 4 3 8 8 4 4 8 8 4 4 8 8 4 5 9 8 4 5 9 7 3 5 9 7 3 5 9 7 3 5 9 6 2 6 10 6 2; 1HNMR: 78 77 d 1H J 85 | 74 73 m 2H | 73 73 dt 1H J 9 20 | 55 54 s 0H | 37 37 q 2H J 42 | 31 30 tdd 2H J 7 22 39 | 13 12 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.
CCOC(=O)Cn1nc(C)c(-c2ccc(C(F)(F)F)cc2C=O)c1C
ir: 17 6 2 6 10 19 10 6 13 3 3 4 9 4 1 5 8 8 5 8 10 3 3 7 7 17 5 8 7 3 2 5 3 1 2 4 3 1 7 28 7 9 4 5 4 1 2 6 5 2 5 15 5 5 13 49 14 0 5 5 4 2 5 15 19 8 6 10 32 29 15 8 13 7 16 24 10 2 9 7 2 2 4 5 2 3 5 5 1 3 5 6 24 6 8 6 1 4 62 16 13 6 10 10 12 7 7 10 6 16 13 9 9 57 97 38 43 19 31 17 17 36 33 21 69 24 16 21 27 6 12 4 4 4 4 4 7 14 12 8 32 16 26 17 11 4 3 2 3 17 36 5 6 5 6 36 5 4 3 1 3 3 5 1 2 4 3 2 3 4 2 1 3 4 2 1 3 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 2 0 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 4 1 1 4 4 2 2 5 4 2 3 5 6 8 14 11 7 5 7 9 19 5 10 26 12 17 28 68 100 19 52 75 62 28 11 7 8 2 5 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 83 82 d 1H J 19 | 79 78 m 2H | 49 49 s 2H | 43 42 q 2H J 66 | 25 24 s 3H | 24 24 s 3H | 13 12 t 4H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(Cl)ccc(Br)c1=O
ir: 7 15 27 14 6 17 26 16 12 24 29 12 3 19 23 11 6 19 22 13 16 26 30 37 14 27 19 6 6 21 20 13 11 27 18 6 10 23 20 7 9 22 16 5 10 38 34 30 28 26 15 0 12 25 17 6 19 28 14 1 16 25 33 45 46 36 34 9 20 29 16 5 25 25 9 5 17 21 9 7 19 21 8 7 25 42 25 21 25 19 8 12 30 36 17 11 20 16 4 9 21 15 3 10 22 21 18 13 23 13 2 12 23 13 4 15 27 14 6 16 24 16 8 17 27 15 10 17 28 26 19 30 38 37 48 44 50 29 15 25 23 12 10 18 18 7 7 19 17 6 9 19 16 9 19 32 19 9 13 96 66 100 33 24 14 2 11 22 13 1 12 23 12 1 12 22 11 2 13 21 10 3 14 20 10 4 15 19 9 5 15 18 8 5 16 18 7 6 17 17 7 7 17 16 6 8 18 15 5 8 19 15 5 9 19 14 4 10 20 13 3 11 21 13 3 11 21 12 2 12 21 11 3 13 20 11 4 13 20 10 4 14 19 9 5 15 18 9 6 15 18 8 6 16 17 7 7 16 16 7 8 17 16 7 8 18 16 6 12 23 21 8 12 21 15 9 16 22 23 57 33 87 36 28 47 48 34 14 31 25 15 5 15 21 12 6 14 20 11 5 15 18 10 7 15 17 9 7 16 17 8 8 16 16 8 8 16 15 7 9 17 15 7 9 17 14 6 10 18 14 5 10 18 13 5 11 19 13 4 11 19 12 4 12 19 11 5 12 19 11 5 13 18 10 6 14 18 10 6 14 17 9 7 15 16 9 7 15 16 8 8 15 15 8 9 16 15 7 9 17 14 7 10 17 14 6 10 17 13 6 11 18 13 6 11 18 12 5 12 19; 1HNMR: 77 76 d 1H J 68 | 68 67 d 1H J 68 | 36 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)(=O)N(CC(=O)O)c2c(Cc3c(F)cccc3F)cccc2OC)cc1OC
ir: 3 5 4 4 5 7 15 26 22 32 11 15 8 14 19 12 16 22 7 15 28 19 46 9 5 9 3 2 5 5 4 1 0 2 2 4 7 3 3 5 3 14 3 5 4 17 49 87 2 13 17 2 4 12 17 9 4 6 3 1 2 3 9 4 4 20 20 23 10 17 5 5 6 6 4 9 7 19 54 23 23 9 4 100 32 39 80 36 10 4 4 6 9 4 3 2 7 5 8 5 23 6 1 4 4 18 8 3 4 2 2 1 1 1 1 1 3 3 3 5 3 3 2 6 32 4 6 5 2 3 4 4 2 3 2 2 3 6 21 13 15 27 16 26 15 1 2 0 7 15 6 4 1 2 3 1 21 1 5 2 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 0 0 0 0 0 1 1 1 1 1 1 2 1 2 3 5 3 2 1 5 2 7 9 15 23 65 33 6 9 3 3 1 1 1 1 10 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 75 75 dd 1H J 22 97 | 74 73 tt 1H J 51 77 | 72 72 d 1H J 21 | 71 71 d 1H J 97 | 70 69 m 4H | 68 68 dd 1H J 16 82 | 47 47 s 2H | 39 39 td 2H J 9 40 | 39 39 s 3H | 39 38 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1cnc2c(-c3ccco3)nc(N)nc21
ir: 5 4 4 6 10 4 4 3 2 2 2 2 3 1 1 2 2 2 3 6 8 7 3 9 7 8 7 2 2 3 2 2 3 3 1 2 13 14 3 5 3 3 5 12 12 8 10 10 1 1 2 1 1 2 2 0 1 1 1 1 1 0 1 4 1 2 5 5 2 1 1 2 2 3 1 1 1 0 0 2 2 0 1 1 3 3 1 1 1 1 1 2 0 1 1 1 1 5 4 3 1 1 1 2 3 2 1 1 2 4 7 2 1 1 1 1 1 1 2 2 2 1 1 3 3 6 3 1 5 4 1 1 0 1 1 3 2 1 1 3 11 7 7 7 10 31 25 9 8 4 8 8 5 13 1 4 10 8 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 5 3 3 1 2 4 4 10 3 2 2 1 0 1 1 0 1 1 1 1 1 2 18 13 2 1 1 1 1 1 0 1 0 0 27 100 3 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; 1HNMR: 82 82 t 1H J 9 | 76 76 t 1H J 14 | 70 69 dd 1H J 18 57 | 67 67 dd 1H J 11 57 | 64 63 s 2H | 50 50 d 2H J 10 | 43 42 q 2H J 66 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=S)C1CCC1
ir: 0 1 2 1 0 2 8 5 3 2 3 2 3 7 8 7 4 2 2 1 1 5 4 33 35 26 18 32 28 16 6 2 1 2 2 1 1 2 3 4 3 10 10 2 2 2 1 1 1 2 2 0 6 6 2 1 1 2 3 2 2 2 2 1 3 3 2 0 3 5 3 2 4 2 1 1 1 2 1 2 2 2 2 2 2 2 1 1 2 2 2 3 5 6 2 2 3 5 2 5 7 10 3 3 3 3 2 2 5 2 5 5 5 4 3 3 7 8 4 3 2 1 1 1 2 1 1 1 1 1 1 2 3 3 2 3 3 3 3 2 2 1 1 2 2 1 1 2 2 1 1 2 1 2 2 8 16 21 20 8 3 3 2 2 2 1 2 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 3 5 6 3 2 3 2 1 3 5 4 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 21 100 10 3 1 1 2 2 3 3 3 2 15 41 59 49 13 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 70 69 s 1H | 24 24 p 1H J 46 | 22 20 m 2H | 19 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)O)ccc1C(=O)N1CC=CC1
ir: 1 2 5 7 9 21 4 2 1 3 6 2 6 6 5 9 6 13 17 9 12 96 74 34 18 29 30 6 5 20 9 6 11 18 5 7 29 7 7 4 2 5 3 1 2 3 2 1 2 4 3 3 7 5 4 11 12 5 4 1 2 3 7 4 7 7 4 3 3 4 6 26 5 6 3 9 37 18 100 75 7 4 2 2 7 5 8 6 5 5 1 3 7 8 10 5 6 4 1 1 3 2 1 2 3 2 2 3 3 25 30 3 5 5 7 9 13 8 7 4 4 2 1 10 13 10 4 5 9 16 6 14 20 3 2 3 5 43 58 4 3 29 40 21 52 25 15 57 24 5 4 40 42 4 5 4 2 1 1 3 2 0 2 3 2 0 1 3 2 0 1 3 2 0 2 4 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 3 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 1 2 4 3 2 3 4 4 2 3 4 5 5 12 31 33 27 27 8 5 5 5 3 3 4 75 93 8 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2; 1HNMR: 80 79 m 2H | 77 77 d 1H J 86 | 60 60 p 2H J 15 | 40 40 t 4H J 16 | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)cc(Cl)c1N1CCCn2c1nc1c(Cl)ccc(C(N)=O)c12
ir: 6 6 6 7 7 7 7 7 7 7 6 9 14 12 18 15 10 9 11 12 21 7 8 12 9 6 7 7 7 17 7 8 10 21 18 12 8 43 7 7 7 7 7 11 6 7 6 7 6 7 6 7 8 8 14 7 6 6 6 7 6 7 8 7 9 8 7 17 8 10 13 8 7 7 7 7 7 7 7 9 6 6 6 6 7 13 6 6 8 7 17 12 6 6 6 6 6 6 6 7 7 7 6 8 7 7 7 6 6 6 6 7 8 9 7 7 7 8 10 10 9 7 6 7 6 6 6 7 7 7 7 15 7 6 8 20 6 6 6 7 9 14 17 7 10 14 10 44 14 8 7 7 8 6 6 11 9 0 100 2 7 10 7 5 8 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 6 7 7 7 7 7 7 10 10 13 24 8 10 8 7 6 6 6 7 6 6 7 6 6 6 6 7 7 10 6 6 6 6 6 6 6 6 6 6 6 7 28 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 77 76 d 1H J 92 | 74 74 d 1H J 93 | 73 72 d 1H J 22 | 71 70 d 1H J 25 | 66 65 s 2H | 43 42 m 2H | 39 39 m 2H | 24 23 s 3H | 22 21 p 2H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2cccnc2c(-c2cccc(Cl)c2)nn1Cc1ccsc1
ir: 1 2 2 20 20 7 8 4 5 2 2 1 3 2 1 1 1 8 1 0 0 1 1 1 3 7 38 11 19 21 18 6 4 5 10 4 11 1 5 3 8 3 3 9 14 20 14 32 53 39 4 1 4 3 2 1 5 3 3 1 1 2 1 6 7 6 9 4 10 5 1 1 0 1 1 1 1 2 1 1 2 4 16 13 4 2 6 2 20 3 4 4 7 2 10 10 7 2 1 2 1 1 6 1 0 1 1 0 0 1 3 12 4 2 5 19 29 3 6 3 3 6 7 22 8 23 4 4 3 2 6 21 12 100 13 4 0 2 3 12 10 3 18 3 2 7 2 0 1 1 1 3 4 12 22 7 5 67 17 24 2 4 10 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 2 3 2 6 19 14 93 51 17 58 17 5 3 3 2 2 3 2 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 dd 1H J 21 45 | 84 83 dd 1H J 20 82 | 77 77 ddd 1H J 12 21 73 | 77 76 t 1H J 22 | 76 75 dd 1H J 46 82 | 75 75 dd 1H J 73 80 | 74 74 ddd 1H J 13 22 80 | 73 73 tt 1H J 8 18 | 73 72 dd 1H J 17 53 | 71 71 ddt 1H J 8 17 52 | 53 52 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)N2CCOCC2(C)C(=O)N3C)cc1
ir: 5 2 1 3 1 2 3 2 2 5 2 2 3 1 1 1 1 2 4 4 3 5 3 2 1 3 4 3 2 3 1 3 7 7 9 7 2 4 3 4 5 10 4 1 2 3 5 3 4 13 60 18 16 9 6 4 2 9 3 1 1 2 1 1 3 2 2 1 3 2 4 1 2 6 3 4 4 2 1 1 2 2 4 3 1 1 1 1 2 2 1 1 2 2 2 2 3 6 4 2 5 3 2 3 8 2 6 2 3 9 0 2 2 3 1 1 2 3 4 5 1 5 4 5 11 8 3 2 2 2 3 2 4 1 3 1 1 3 2 2 2 2 1 3 40 0 41 22 4 5 8 16 4 32 18 100 3 1 1 1 1 1 1 10 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 2 2 2 6 1 3 6 9 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 5 5 13 24 11 9 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 3H | 77 76 m 2H | 61 60 q 1H J 47 | 43 42 m 2H | 41 40 ddd 1H J 39 64 145 | 40 40 d 1H J 104 | 39 38 qdd 2H J 38 61 102 | 38 37 dd 4H J 47 56 | 35 34 m 6H | 27 27 d 3H J 46 | 14 14 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(C)O)cc(C(F)(F)F)c1
ir: 2 5 1 2 3 2 2 2 2 2 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 3 2 2 2 2 3 35 3 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 2 2 1 2 2 1 1 2 3 2 1 10 27 2 2 6 5 8 9 8 15 6 4 3 3 2 2 1 6 2 1 2 2 2 2 2 2 11 100 16 5 11 4 3 2 22 4 15 29 3 2 2 2 1 2 2 2 3 3 2 5 6 27 5 6 3 3 5 3 5 2 2 2 2 2 8 6 7 22 9 6 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 3 2 2 3 2 2 1 2 2 2 2 2 2 3 4 2 7 4 6 18 22 15 4 2 3 3 0 10 89 4 3 1 1 2 2 1 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 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1; 1HNMR: 76 75 m 1H | 75 75 t 1H J 22 | 71 70 m 1H | 49 48 m 1H | 36 35 d 1H J 49 | 23 23 s 3H | 15 15 d 3H J 62
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)c1ccc2c(c1)OCO2)C(=O)NCCc1cccnc1
ir: 8 5 4 9 6 3 1 3 3 2 2 6 4 3 1 3 4 3 1 6 4 3 4 7 8 3 5 5 5 4 18 11 9 7 7 12 14 3 12 15 27 43 66 31 24 28 15 11 8 2 5 4 4 3 6 9 5 4 4 4 5 2 8 10 11 55 18 16 23 11 8 5 5 5 5 5 8 6 4 4 3 10 4 3 1 1 2 3 1 1 3 3 2 2 3 3 1 3 6 3 1 2 3 4 1 2 4 4 3 8 18 10 11 3 4 2 1 6 4 6 4 4 16 12 9 5 5 5 2 5 7 4 3 7 4 3 3 4 6 28 59 42 15 22 22 100 71 24 32 44 8 10 7 11 5 7 4 4 12 6 3 3 3 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 3 4 5 3 3 3 5 3 4 4 9 14 4 14 50 16 7 4 5 2 1 3 4 2 1 2 3 2 2 4 4 2 3 6 5 5 6 16 27 25 15 31 14 9 5 4 4 2 3 5 2 3 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1; 1HNMR: 84 84 ddd 1H J 13 20 42 | 84 84 dt 1H J 9 20 | 77 77 d 1H J 81 | 76 76 dd 1H J 20 84 | 75 75 dtd 1H J 10 20 77 | 73 73 d 1H J 20 | 72 72 dd 1H J 42 77 | 69 68 m 2H | 61 60 d 1H J 20 | 60 60 d 1H J 20 | 43 42 dt 1H J 67 80 | 35 34 m 2H | 30 29 ddt 2H J 9 60 69 | 18 17 ddd 1H J 68 81 146 | 17 15 dtt 1H J 65 80 131 | 15 14 ddd 1H J 67 79 145 | 9 9 d 3H J 65 | 9 8 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCCC(=O)NC(=S)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(Cl)c1
ir: 1 3 6 5 1 11 3 2 3 3 3 3 2 5 13 7 7 5 6 7 4 6 3 3 3 3 6 9 10 8 39 57 5 10 9 3 4 3 3 0 2 8 3 2 4 4 2 0 3 5 44 7 5 10 24 53 28 54 25 2 9 13 5 3 5 9 7 19 41 80 13 8 15 26 22 14 9 3 2 3 5 4 2 4 7 2 0 2 7 8 3 2 8 3 2 3 4 11 14 1 4 3 6 2 6 4 17 14 2 1 1 2 16 6 6 4 7 9 3 3 2 2 1 3 5 3 4 4 5 2 1 2 2 1 0 2 2 4 3 2 5 2 2 35 6 3 24 17 11 32 61 34 17 8 5 62 8 7 6 24 4 2 14 4 2 1 7 10 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 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 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 2 2 3 1 0 2 3 4 2 17 14 12 59 100 9 9 3 2 5 3 1 2 2 1 2 2 2 1 2 2 3 7 3 3 4 13 83 25 30 3 1 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 99 99 s 1H | 86 85 d 1H J 49 | 79 79 d 1H J 22 | 77 76 s 1H | 74 73 m 2H | 70 70 d 1H J 89 | 70 69 d 1H J 48 | 39 39 s 3H | 39 38 s 3H | 37 37 t 2H J 60 | 35 34 q 2H J 62 | 27 27 t 2H J 60 | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1nc(-c2ccc(OC)c(OC)c2)cc(=O)n1C
ir: 1 1 1 1 1 1 1 2 0 2 2 2 2 2 3 6 13 2 3 1 2 2 3 2 3 3 2 1 0 1 1 1 1 2 1 1 1 3 21 28 4 2 1 1 1 1 0 1 3 1 1 1 2 4 22 12 3 2 1 5 1 2 3 2 8 17 17 11 2 5 2 2 1 1 1 1 1 3 5 2 1 1 1 1 4 4 2 4 3 1 3 1 1 1 0 0 1 0 0 0 0 0 0 0 1 1 1 0 2 2 1 1 1 1 5 1 2 2 3 2 2 1 2 2 2 1 2 4 2 1 0 1 3 3 1 13 5 1 1 1 1 3 21 4 3 2 57 2 2 0 6 13 4 5 2 0 1 1 1 3 100 3 2 2 2 18 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 1 1 1 1 1 2 1 1 2 4 5 6 10 41 13 6 5 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 dd 1H J 20 79 | 72 72 d 1H J 19 | 71 71 d 1H J 79 | 63 62 s 1H | 42 42 t 2H J 53 | 39 38 d 6H J 88 | 33 33 s 2H | 18 17 qt 2H J 52 79 | 10 9 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Sc2c(C#N)oc3cc(S(C)(=O)=O)ccc23)cc1
ir: 7 14 4 13 11 7 6 4 4 4 4 3 12 7 4 6 6 3 3 3 6 49 5 4 8 5 3 2 3 3 4 4 5 21 3 3 28 5 39 4 3 2 2 2 3 2 2 2 2 3 3 1 4 11 83 76 11 0 11 6 4 2 5 3 4 12 78 11 14 32 3 3 3 2 3 3 4 2 3 4 3 3 8 8 95 4 17 8 5 4 7 4 2 2 4 3 2 3 5 23 10 4 5 5 28 9 38 5 4 3 3 2 2 3 3 2 3 16 7 14 8 9 10 4 15 11 4 3 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 5 3 4 12 10 5 5 4 27 20 10 3 2 2 3 2 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 45 0 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 3 9 3 2 2 2 2 2 2 3 2 4 11 9 19 10 29 20 100 56 12 4 4 4 1 3 3 3 3 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 80 d 1H J 86 | 80 80 d 1H J 22 | 78 78 dd 1H J 22 86 | 74 74 m 2H | 69 69 m 2H | 38 38 s 3H | 32 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(Cc2c(Cl)cc(N3C(=O)c4ccccc4C3=O)cc2Cl)n[nH]c1=O
ir: 5 2 2 2 1 2 3 2 3 3 3 2 2 3 4 3 4 7 8 12 2 3 4 2 3 3 2 1 1 2 2 1 8 4 2 1 1 3 4 4 64 35 5 0 2 5 4 3 5 2 24 22 3 4 2 0 2 4 8 9 3 4 2 0 2 4 2 3 18 5 2 2 3 8 5 2 5 5 1 1 4 3 1 2 3 3 1 2 10 10 1 2 3 2 2 2 7 4 1 2 3 2 1 2 5 27 5 2 9 4 1 3 4 4 7 3 5 2 1 4 5 2 1 3 4 7 2 4 3 2 2 6 29 1 2 7 8 3 9 3 3 18 5 5 6 3 31 11 6 1 1 4 4 7 24 21 27 2 2 8 4 35 4 18 6 2 1 3 2 0 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 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 2 2 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 3 3 3 2 3 3 4 3 5 3 6 100 18 9 7 2 3 3 2 1 2 2 2 1 2 2 1 1 2 3 2 1 2 6 14 15 73 7 2 3 5 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 2 2 2 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 100 99 s 1H | 80 79 dd 2H J 31 51 | 78 78 dd 2H J 31 51 | 77 77 s 2H | 72 72 q 1H J 9 | 40 39 d 2H J 7 | 34 33 heptd 1H J 9 70 | 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.
CCCOc1c2c(nc3c1cnn3Cc1ccccc1)C(=O)c1ccccc1CC2
ir: 8 9 17 10 9 10 10 10 10 14 10 13 15 16 10 11 11 12 11 10 13 11 11 9 9 11 13 14 12 18 12 13 42 27 16 14 17 36 14 27 53 31 21 18 14 18 21 17 10 14 9 10 10 13 9 8 10 10 16 11 12 12 9 9 11 18 10 12 15 16 10 8 13 10 13 25 12 13 10 9 8 8 8 8 9 12 9 10 16 40 11 11 14 10 9 11 9 18 14 12 28 16 16 20 9 9 8 8 9 9 9 11 12 10 13 14 13 13 17 15 37 17 12 9 13 16 16 21 12 10 11 14 15 14 15 49 12 22 36 12 11 10 20 41 13 21 14 14 39 21 9 30 15 9 12 62 17 4 84 0 16 12 9 6 8 9 8 7 8 9 8 7 8 9 8 7 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 9 9 9 10 10 10 11 9 9 11 12 13 22 37 13 70 100 56 18 11 9 10 10 11 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 82 81 s 1H | 78 78 dd 1H J 15 78 | 76 75 m 1H | 74 73 m 1H | 73 72 m 2H | 73 73 s 4H | 56 55 s 2H | 40 40 t 2H J 53 | 32 31 td 2H J 7 91 | 30 29 tt 2H J 8 91 | 19 18 qt 2H J 53 79 | 11 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2nnc3c4ccccc4c(O)nn23)on1
ir: 1 1 3 1 4 2 3 2 3 3 2 1 1 2 2 1 5 4 2 5 1 2 4 3 2 2 2 2 1 2 3 3 1 2 2 0 1 3 3 0 1 6 100 25 3 1 2 2 1 1 1 1 2 2 2 1 2 21 2 1 3 3 5 6 3 3 2 3 2 2 2 2 3 4 5 4 8 3 2 2 2 2 4 3 3 4 6 9 5 4 9 2 2 2 1 1 2 2 1 3 5 5 6 8 2 2 2 2 3 4 2 5 2 3 1 2 3 3 7 12 4 4 7 5 2 2 1 3 3 2 2 6 10 2 2 2 9 4 1 2 2 1 2 2 2 4 25 25 8 6 7 9 16 7 2 2 3 1 1 2 2 1 1 2 1 1 5 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 4 3 3 1 2 2 1 2 2 2 2 3 4 5 5 9 5 26 13 20 5 3 2 2 3 4 46 12 3 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 3 2 20 8 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; 1HNMR: 89 89 s 1H | 83 83 dd 1H J 17 74 | 83 82 dd 1H J 12 79 | 78 77 td 1H J 16 78 | 75 74 td 1H J 12 74 | 70 70 s 1H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(c2cccc(Br)n2)C(c2cccnc2)c2cccnc2)n1
ir: 0 1 1 6 4 8 6 1 0 1 2 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1 2 3 1 6 4 8 2 5 14 30 3 3 2 3 3 1 1 2 2 2 12 31 100 5 2 0 1 2 1 1 3 3 3 1 2 6 5 6 14 7 2 1 2 2 9 2 1 1 2 3 2 4 12 4 6 4 13 2 1 1 1 0 1 1 1 1 3 1 0 1 1 6 1 2 2 1 1 1 1 1 1 1 3 1 1 3 33 17 7 2 4 1 3 2 3 2 3 3 3 2 3 6 5 2 3 4 2 1 1 4 14 3 23 23 5 4 5 4 4 23 2 1 1 1 2 2 8 44 16 67 33 1 4 23 2 1 2 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 2 2 3 2 2 1 3 4 8 46 43 5 2 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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 dt 2H J 17 48 | 85 84 m 2H | 78 78 dt 1H J 9 79 | 76 75 m 4H | 73 72 m 3H | 71 71 dt 1H J 9 79 | 68 68 dd 1H J 13 77 | 55 54 m 1H | 51 50 m 1H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cccc(CCOc2cc(CC(CC(=O)O)c3ccc4c(c3)OCO4)nn2C)n1
ir: 1 1 2 3 3 5 3 7 2 3 5 3 4 7 5 5 5 4 2 6 13 21 32 7 4 3 1 2 2 1 1 2 2 9 2 2 1 1 1 1 1 1 1 1 1 4 14 11 8 6 2 2 1 2 2 4 2 1 1 1 2 0 1 1 3 3 4 2 4 1 5 4 2 4 2 4 2 2 8 5 2 4 2 1 1 1 2 1 1 2 2 2 2 2 2 1 2 2 2 5 1 2 1 1 0 1 1 2 5 3 1 1 1 2 1 1 1 1 1 3 0 2 2 7 3 4 4 2 2 2 2 3 4 2 4 2 2 1 2 2 2 10 8 8 7 5 16 12 3 3 3 1 2 2 2 8 9 16 2 2 1 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 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 1 2 2 0 1 2 1 1 2 3 3 3 5 11 21 16 2 4 2 0 1 3 19 100 9 2 1 2 1 0 0 0 0 1 1 1 1 3 8 8 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 1H | 69 69 dq 1H J 9 73 | 68 68 m 1H | 68 67 d 1H J 86 | 67 67 dd 1H J 7 19 | 65 65 dd 1H J 12 78 | 59 59 s 2H | 57 56 m 2H | 45 44 t 2H J 51 | 37 36 m 1H | 36 36 s 2H | 32 32 m 3H | 31 29 m 2H | 29 29 d 3H J 48 | 28 27 dd 1H J 90 167
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCO)c1ccc(Cl)nn1
ir: 12 17 10 9 10 23 22 8 5 4 10 7 3 4 6 5 3 3 5 2 1 3 2 2 2 2 4 5 3 2 2 1 1 3 3 1 1 2 2 1 2 2 5 3 2 2 2 1 2 2 3 6 11 45 11 5 4 3 1 0 2 7 3 0 2 4 1 0 1 6 7 1 3 3 2 2 6 3 1 2 3 5 7 5 7 38 17 34 43 7 10 4 12 20 7 11 5 8 23 16 3 3 1 2 2 2 0 1 2 2 4 6 2 6 1 2 4 2 1 3 4 3 4 4 3 3 4 4 4 5 5 6 12 10 13 3 2 1 0 1 2 5 3 22 10 3 2 2 6 24 15 3 2 1 1 3 3 3 18 6 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 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 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 3 2 1 0 1 2 2 4 5 6 8 23 6 3 3 4 4 3 4 100 3 3 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 d 1H J 81 | 71 71 d 1H J 81 | 43 43 t 1H J 57 | 38 37 dt 2H J 61 70 | 37 36 m 2H | 33 33 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(O)(c2nccc3ccccc23)CC1
ir: 2 1 2 3 2 1 2 2 1 1 1 2 6 3 2 2 1 2 2 3 1 1 1 1 1 1 1 1 2 4 9 2 1 1 1 1 1 1 1 1 1 3 4 1 3 5 2 2 1 1 2 2 1 1 1 1 1 1 2 3 2 3 3 1 2 3 1 2 2 3 2 1 2 3 8 12 6 2 2 6 6 3 2 2 1 3 3 2 4 2 4 7 5 3 2 3 4 6 4 2 1 3 4 3 1 2 4 7 7 2 1 2 3 2 3 3 2 2 1 2 2 2 2 2 2 2 2 2 1 1 2 1 1 2 4 3 2 2 3 3 1 1 1 3 9 4 1 2 2 8 6 1 1 1 1 1 3 2 3 2 1 1 1 1 1 1 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 1 1 2 2 2 1 2 2 1 1 1 3 3 3 5 15 16 5 3 4 2 0 15 100 5 5 2 0 2 2 1 1 1 2 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; 1HNMR: 84 84 d 1H J 38 | 80 79 m 1H | 79 78 dt 1H J 12 80 | 76 75 m 3H | 44 43 s 1H | 30 29 ddd 2H J 40 68 123 | 28 28 ddd 2H J 40 68 121 | 25 24 ddd 2H J 42 70 146 | 23 23 s 2H | 22 21 ddd 2H J 41 68 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C
ir: 6 3 3 5 6 3 8 17 4 7 7 3 4 3 3 4 2 3 4 7 0 3 4 1 1 2 2 4 5 5 2 1 2 1 1 1 1 2 1 1 0 1 1 0 1 1 1 1 1 1 1 3 1 1 1 1 1 2 1 1 1 2 2 2 4 3 3 2 3 6 1 6 6 9 17 18 29 11 2 4 2 2 2 1 1 1 1 2 2 2 1 2 1 5 3 3 8 2 12 14 4 3 1 2 2 3 3 4 6 4 3 3 1 2 2 5 1 3 2 5 4 5 2 3 1 2 2 1 1 2 0 3 2 4 5 4 1 3 1 1 6 21 10 1 1 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 1 4 7 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 2 1 2 2 4 2 3 2 2 4 3 5 6 8 12 9 4 1 3 1 2 1 1 4 73 100 3 1 2 2 1 1 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 58 58 p 1H J 9 | 31 30 dddd 1H J 9 55 82 136 | 26 25 ddh 1H J 15 48 64 | 24 23 dddd 1H J 9 55 82 137 | 23 22 dddd 1H J 9 51 77 138 | 22 21 m 5H | 20 18 m 2H | 18 13 m 10H | 13 12 m 2H | 11 11 s 2H | 10 9 m 1H | 8 7 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2ccc(S(=O)(=O)Nc3cc(C)no3)cc2)c1
ir: 6 4 2 2 4 2 2 3 2 4 3 3 4 6 6 2 2 9 3 2 3 3 2 3 1 3 2 3 1 2 4 2 1 6 12 8 3 5 4 3 4 5 4 4 2 5 6 26 7 12 4 10 8 6 11 5 13 5 2 3 3 3 3 2 16 5 4 3 6 2 2 1 2 14 7 2 2 3 2 2 3 3 5 8 60 21 2 1 45 4 0 1 3 2 3 4 4 9 16 8 2 2 1 1 2 1 10 3 3 1 0 1 2 1 0 2 2 2 1 3 7 5 1 4 4 2 0 6 12 46 4 4 6 1 1 2 2 2 4 16 7 4 1 2 2 2 3 11 5 3 1 1 6 2 3 7 18 1 3 4 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 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 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 3 2 3 3 5 11 19 10 30 7 3 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 2 2 3 4 14 100 26 8 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 79 79 m 2H | 78 78 m 2H | 74 74 ddd 1H J 14 21 79 | 74 74 t 1H J 78 | 73 72 t 1H J 21 | 70 69 ddd 1H J 13 21 77 | 62 62 s 1H | 38 38 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4cccnn4)cn3)cc2C#N)ccn1
ir: 4 4 0 14 9 7 3 3 1 3 3 2 2 5 8 6 7 5 12 21 20 3 5 2 3 2 6 3 22 5 6 20 8 11 6 26 31 9 66 69 15 40 18 4 4 7 4 3 3 3 6 6 10 10 32 12 13 3 4 13 10 13 10 9 6 5 15 2 12 12 27 29 40 18 6 3 3 5 3 6 5 5 10 11 3 3 3 5 26 10 8 6 8 7 3 2 5 4 3 5 11 2 2 2 2 3 4 3 2 2 2 2 4 8 10 13 4 4 3 4 7 6 3 3 4 4 4 8 11 3 2 3 3 3 2 6 19 19 5 6 14 2 4 7 9 9 41 50 97 56 32 27 14 27 5 14 24 8 4 8 3 4 25 14 3 4 3 1 2 3 2 2 2 2 2 1 2 2 1 1 2 2 8 2 1 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 2 2 1 2 1 1 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 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 4 3 4 5 3 3 4 5 7 12 15 31 100 56 14 8 6 4 1 4 3 3 2 2 2 2 1 2 2 2 2 4 3 3 7 6 14 24 15 6 4 5 3 3 2 2 2 2 2 2 2 2 2 1 1 2 1 2 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 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 1 2 1 1 1 2 1 1; 1HNMR: 93 93 s 1H | 88 88 d 1H J 20 | 86 86 dd 1H J 21 39 | 86 85 dd 1H J 19 85 | 85 85 d 1H J 47 | 81 81 dd 1H J 21 74 | 79 79 m 1H | 78 78 dd 1H J 38 73 | 78 77 dt 1H J 9 20 | 77 76 m 2H | 75 74 ddt 1H J 9 21 74 | 74 74 dd 1H J 21 47 | 37 37 t 2H J 9 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)OC(=O)CC2
ir: 3 7 10 15 6 20 13 5 2 6 10 5 2 7 11 23 10 18 11 4 3 7 8 4 3 7 7 6 4 9 8 4 6 8 8 3 4 10 8 2 4 8 7 3 5 9 6 2 5 10 7 0 45 24 46 0 6 10 6 7 7 15 13 6 18 13 10 2 11 17 31 14 19 9 4 3 7 8 4 3 7 8 3 4 8 8 3 6 16 15 5 8 25 80 14 6 7 7 3 5 8 7 13 10 15 7 3 5 9 6 3 8 13 6 2 8 11 11 7 13 14 31 6 14 14 6 3 7 10 7 3 7 8 5 3 7 8 4 4 8 7 7 5 9 13 100 17 9 10 26 8 32 17 9 7 9 7 3 5 8 7 16 8 9 6 2 5 9 6 2 6 9 5 2 5 9 5 2 6 8 5 2 6 8 4 3 6 8 4 3 6 8 4 3 7 7 4 3 7 7 4 4 7 7 3 4 7 7 3 4 8 6 3 4 8 6 3 5 8 6 3 5 8 6 2 5 9 5 2 5 8 5 2 6 8 5 3 6 8 5 3 6 8 4 3 6 7 4 3 7 7 4 4 7 7 4 4 7 7 4 4 7 7 4 4 8 7 4 5 9 8 4 6 9 7 6 11 13 8 3 6 10 11 11 20 23 36 22 59 13 12 6 6 8 6 3 6 7 5 3 6 7 4 3 6 7 4 4 7 7 4 4 6 7 4 4 7 6 4 4 7 6 4 4 7 6 3 5 7 6 3 5 7 6 3 5 8 6 3 5 8 5 3 5 8 5 3 5 8 5 3 6 7 5 3 6 7 5 3 6 7 4 4 6 7 4 4 6 7 4 4 6 6 4 4 7 6 4 4 7 6 4 5 7 6 3 5 7 6 3 5 7 6 3 5 7 5 3 5 8; 1HNMR: 70 70 dt 1H J 9 81 | 69 69 d 1H J 20 | 69 68 m 1H | 30 29 m 2H | 28 27 dd 2H J 64 83 | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cnn(C)c1-c1cc(C(=O)OC)sc1C
ir: 5 8 1 4 4 14 5 2 1 8 1 1 1 18 2 3 3 20 18 58 51 9 8 3 2 2 5 3 1 1 2 1 1 3 2 2 5 2 3 1 15 3 1 1 1 2 1 0 1 1 1 1 1 1 1 2 3 1 1 1 1 1 2 3 22 3 2 2 4 2 3 10 18 26 19 18 17 16 8 1 3 1 4 11 10 4 2 9 16 4 1 1 5 1 1 6 4 1 1 5 2 2 0 6 15 3 2 1 2 1 1 2 1 3 2 24 18 6 5 8 31 27 28 3 2 1 1 5 28 3 1 8 2 3 8 7 3 8 43 13 3 1 1 5 100 27 6 2 2 2 2 0 35 3 2 1 1 2 1 1 1 2 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 1 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 3 11 2 12 9 16 16 7 16 5 13 7 6 22 6 4 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 78 s 1H | 76 76 s 1H | 72 71 dd 1H J 109 164 | 57 56 dd 1H J 24 163 | 55 55 dd 1H J 24 110 | 39 39 d 6H J 70 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1
ir: 3 5 18 5 5 3 2 11 3 3 5 33 6 2 17 2 2 1 1 2 2 1 1 4 3 9 2 2 2 1 1 2 2 2 4 6 3 2 11 97 7 3 3 2 2 7 4 2 1 1 2 2 2 3 3 17 32 3 2 4 1 2 32 20 2 0 3 3 22 10 2 2 2 3 3 2 2 1 2 2 2 5 2 2 1 1 2 2 2 2 2 2 14 12 5 2 3 2 11 100 0 2 7 6 15 35 4 1 0 1 3 2 0 2 4 2 2 10 24 31 22 9 22 7 5 3 10 11 1 3 5 3 51 4 1 2 2 2 1 2 49 7 3 1 2 59 7 2 2 10 22 21 5 3 2 3 8 1 1 1 1 1 2 1 1 2 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 2 4 2 2 3 4 7 7 32 55 12 9 4 3 2 2 2 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1; 1HNMR: 82 81 dq 1H J 13 25 | 78 78 dd 1H J 20 79 | 78 78 d 1H J 79 | 36 35 s 3H | 31 31 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cnc2ccc(Br)cc2c1O)C1CC1
ir: 0 1 1 1 1 5 1 1 0 1 1 1 1 2 1 1 1 1 1 1 3 2 1 1 1 1 2 2 4 2 1 1 11 5 2 2 1 2 14 10 4 1 1 1 1 0 1 1 1 1 2 1 1 0 2 8 59 3 1 0 1 2 1 0 1 0 1 0 1 1 0 0 1 1 1 1 8 3 3 3 1 1 1 11 3 1 3 5 1 1 1 3 1 2 5 14 4 2 1 1 1 1 0 1 2 3 5 1 4 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 4 2 0 1 1 1 1 3 3 100 2 8 1 1 1 17 1 1 1 2 15 2 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 2 1 2 2 4 21 6 1 7 41 7 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 82 82 d 1H J 25 | 78 78 d 1H J 84 | 77 77 dd 1H J 25 83 | 29 28 p 1H J 59 | 12 11 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.
CCOCCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)OC)CCN3S(C)(=O)=O)cc1
ir: 6 8 9 11 11 7 2 5 8 9 7 6 4 10 6 2 1 2 3 4 4 3 6 3 2 2 2 6 1 2 3 1 1 5 4 4 2 2 2 1 2 3 2 1 1 2 2 1 2 2 2 3 4 15 22 10 14 9 3 1 2 11 30 3 6 6 3 3 16 13 12 2 4 33 20 11 6 6 2 4 3 29 16 13 7 8 5 100 26 11 6 12 7 5 3 2 2 3 1 4 5 5 9 14 18 8 5 12 3 4 4 8 7 6 5 5 21 26 6 11 7 14 10 5 3 3 2 4 15 3 2 3 3 2 1 2 3 1 1 2 2 2 3 2 91 11 4 14 9 9 4 6 6 5 2 3 2 1 2 3 2 0 9 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 2 3 3 1 3 3 3 3 4 3 2 3 6 7 16 13 34 19 72 21 13 6 3 3 2 3 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 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 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: 76 76 m 2H | 76 75 m 3H | 72 71 d 1H J 79 | 70 70 m 2H | 42 41 t 2H J 72 | 41 40 t 2H J 67 | 37 37 s 2H | 36 35 t 2H J 65 | 35 34 q 2H J 62 | 31 30 s 2H | 25 24 td 2H J 9 73 | 21 20 p 2H J 66 | 11 11 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1
ir: 2 3 7 4 3 4 7 9 3 2 4 1 3 2 2 2 4 5 2 7 11 7 23 18 23 10 8 27 15 6 4 1 2 19 11 2 1 2 6 21 8 11 7 0 2 3 2 3 2 3 1 1 11 9 14 2 1 3 3 1 2 7 16 6 2 8 3 10 2 2 1 0 1 2 1 1 1 1 2 1 2 5 3 1 3 8 10 3 5 4 2 2 4 3 3 1 2 5 4 6 3 7 9 9 3 2 1 4 2 3 2 4 9 6 7 3 3 5 15 17 8 4 5 4 6 6 3 5 8 6 6 6 4 7 33 19 28 6 5 19 48 9 6 5 3 1 0 1 2 16 5 26 33 6 2 18 4 1 1 12 2 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 2 2 1 1 1 2 3 3 8 5 12 12 27 12 5 2 2 3 1 0 3 1 1 0 1 1 1 1 2 1 1 4 4 3 7 31 100 35 14 11 21 2 2 2 2 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 97 97 s 1H | 80 79 t 1H J 23 | 78 77 dd 1H J 22 44 | 74 73 d 1H J 73 | 73 72 dd 1H J 22 73 | 71 71 d 1H J 22 | 71 70 dd 1H J 44 84 | 70 70 dd 1H J 22 86 | 58 57 d 1H J 90 | 41 40 m 4H | 38 37 dp 1H J 63 88 | 32 31 m 4H | 12 12 d 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCCC1
ir: 39 19 2 43 5 9 6 7 10 7 30 32 23 9 15 10 4 5 26 10 9 20 6 20 14 25 45 11 3 9 10 23 14 5 11 24 14 14 10 12 12 25 10 4 2 8 5 0 8 26 48 3 9 33 100 95 11 0 5 4 2 2 2 4 8 12 19 81 77 33 41 44 8 1 4 4 3 2 3 3 3 5 22 25 19 49 42 8 9 4 5 5 6 5 5 13 5 5 57 7 3 4 0 5 13 45 4 12 33 35 45 22 21 44 19 22 16 36 30 10 8 5 1 7 11 6 5 3 5 4 4 3 2 2 1 2 2 3 10 6 13 26 6 22 22 35 16 10 8 7 22 20 23 58 8 23 22 99 7 2 3 5 13 19 16 2 6 37 10 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 3 1 2 3 5 10 20 7 7 8 7 6 3 7 14 31 34 28 54 99 21 7 5 2 2 1 1 2 2 2 1 2 3 3 3 3 3 1 4 5 7 14 26 35 94 97 28 9 4 3 1 2 2 0 1 2 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 86 s 1H | 85 84 s 1H | 81 80 s 1H | 79 79 dd 1H J 22 33 | 75 75 ddd 1H J 21 35 77 | 74 74 s 1H | 72 71 dd 1H J 77 102 | 42 41 td 4H J 15 74 | 32 31 t 4H J 105 | 22 21 ttd 4H J 23 74 105
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncc(F)c(Oc3ccc4c(C(=O)O)cccc4c3)c2cc1OC
ir: 1 1 1 2 2 1 1 1 1 1 0 2 3 1 1 1 2 2 4 9 5 7 19 25 3 2 5 3 2 1 2 1 1 0 0 1 1 0 0 1 1 0 2 2 2 1 1 2 7 7 5 2 1 0 1 5 17 5 1 0 1 4 2 2 3 1 4 6 13 6 3 1 1 1 2 1 1 4 24 2 1 2 1 1 0 1 1 0 1 2 1 2 2 1 1 6 1 1 2 4 1 6 2 1 1 1 1 0 0 1 2 1 1 1 1 1 1 1 6 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 4 1 4 2 2 1 1 1 6 16 3 1 2 1 2 1 1 8 3 8 12 6 10 3 1 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 1 1 2 10 18 25 9 3 2 1 2 1 2 8 100 5 4 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 83 d 1H J 83 | 83 82 d 1H J 141 | 81 80 m 2H | 76 75 m 2H | 75 75 t 1H J 23 | 74 74 s 1H | 71 71 dd 1H J 25 85 | 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.
CCc1cc[nH]c1
ir: 2 2 2 2 2 2 2 2 2 2 3 8 1 2 2 2 1 2 2 2 2 2 2 5 5 2 2 2 2 2 2 2 2 1 2 4 3 0 23 49 2 5 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 3 3 3 2 1 2 2 1 1 2 2 1 1 3 4 27 17 1 1 2 5 8 3 2 2 2 5 5 3 2 2 2 2 2 2 1 2 2 2 1 2 3 3 3 3 3 3 2 2 3 2 2 3 3 2 2 3 4 3 2 2 3 1 1 2 3 1 1 3 4 22 10 6 9 2 79 13 7 35 11 0 1 4 13 19 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 6 4 9 4 4 5 22 21 16 14 7 4 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 11 11 29 75 100 5 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 5 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 76 75 t 1H J 64 | 68 67 m 2H | 61 61 ddt 1H J 9 18 33 | 29 28 qt 2H J 9 71 | 14 14 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CCC(=O)Nc1ccccc1-c1cc2ccccc2[nH]1
ir: 1 1 1 3 2 1 1 1 1 2 1 3 5 1 0 0 4 1 4 1 1 2 0 0 1 0 3 5 8 1 1 2 1 4 5 5 2 5 1 2 4 24 100 15 18 19 12 4 2 1 2 1 0 2 1 1 1 1 1 0 3 2 0 1 1 1 0 0 1 1 1 0 1 1 5 4 3 4 1 0 0 0 1 6 3 1 0 1 1 3 3 3 4 1 2 2 1 1 4 2 1 1 4 2 1 0 0 1 1 1 1 1 3 3 2 1 1 1 2 1 1 1 0 1 2 3 1 1 1 1 1 1 1 1 5 2 13 17 2 1 2 0 2 4 3 7 26 10 5 9 6 2 14 1 4 2 1 1 17 3 1 5 4 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 4 7 1 4 87 25 18 8 1 2 2 0 0 0 1 1 0 1 1 1 1 1 1 1 1 6 6 19 10 17 12 14 9 7 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 85 85 s 1H | 76 76 dd 1H J 12 77 | 75 75 m 2H | 74 74 m 2H | 73 72 tdd 2H J 16 41 77 | 72 71 m 2H | 71 71 ddd 1H J 11 71 79 | 71 70 dtd 2H J 13 74 170 | 69 68 dd 1H J 10 75 | 38 38 s 2H | 30 29 m 2H | 27 26 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2c(Nc3ccc(N)cc3)ccnc2[nH]1
ir: 17 27 27 17 9 9 11 11 5 13 13 5 1 7 46 3 9 71 28 7 7 4 8 11 3 5 2 3 2 2 2 3 2 4 5 2 6 4 10 60 16 5 12 4 3 0 6 54 5 4 2 5 10 3 5 6 44 15 2 3 3 2 2 3 2 2 1 2 2 9 3 3 3 14 29 4 4 10 13 15 13 3 2 1 2 2 2 3 6 9 1 12 2 2 3 17 2 2 3 6 3 1 0 3 11 22 100 3 2 3 13 65 44 6 5 8 9 6 3 3 1 6 2 7 4 5 3 3 6 3 4 13 2 2 1 1 1 1 4 6 33 4 2 1 3 8 5 0 9 21 4 3 10 10 16 53 33 94 59 24 12 42 5 2 11 5 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 2 1 1 3 2 1 2 2 2 8 4 7 20 43 29 14 11 4 4 3 2 2 1 1 1 1 2 1 2 2 2 93 48 3 9 7 9 57 57 26 54 26 20 26 45 9 3 2 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 0 1 1 1 0 1 1; 1HNMR: 84 83 d 1H J 40 | 80 80 s 1H | 75 75 s 1H | 70 69 m 3H | 68 67 m 2H | 44 43 q 2H J 64 | 40 40 s 2H | 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.
NCc1cnc(N)nc1N
ir: 2 2 2 2 1 1 3 2 3 2 3 1 3 2 1 3 5 2 4 3 1 1 2 2 1 1 1 2 1 1 1 2 2 2 1 3 3 2 5 8 8 20 13 9 5 3 2 2 2 3 4 10 8 2 2 2 1 1 1 2 2 2 2 1 1 1 1 2 1 2 2 2 6 9 6 2 2 1 1 6 6 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 2 1 1 1 1 1 2 3 2 1 2 4 2 2 6 7 3 2 1 2 1 2 1 3 2 9 16 18 11 3 2 2 21 4 2 1 1 1 1 24 3 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 8 11 3 4 13 6 2 1 32 25 1 2 2 0 0 4 38 100 8 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 79 79 d 1H J 9 | 58 58 s 2H | 58 57 s 2H | 41 40 td 2H J 9 75 | 20 19 t 2H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(C#Cc2cc(OC)cc(OC)c2)cc1
ir: 0 1 1 1 0 2 1 2 1 1 1 1 1 1 2 1 2 1 1 2 2 1 6 1 3 3 2 2 1 2 2 2 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 6 2 2 2 5 2 19 12 22 31 27 13 12 3 1 2 8 7 10 36 29 28 19 8 4 3 5 3 1 0 1 0 0 0 0 0 7 1 2 1 1 1 2 0 0 0 1 0 1 0 1 1 2 4 1 1 1 1 2 10 1 1 0 0 0 0 0 0 0 5 4 2 0 1 1 2 1 2 3 2 1 2 1 0 0 0 0 0 0 0 0 0 0 1 1 0 3 100 18 1 1 5 0 1 0 0 1 1 2 3 2 2 24 39 5 3 0 0 0 0 0 0 0 1 0 0 0 1 6 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 1 0 0 1 1 0 0 0 0 1 0 0 1 1 1 2 3 10 3 31 50 23 19 9 7 1 1 1 1 1 1 1 1 0 0 1 26 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 5H | 68 68 d 2H J 21 | 65 65 t 1H J 22 | 38 38 s 5H | 31 31 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1n[nH]c2cccc(Cl)c2c1=O
ir: 11 9 11 10 15 17 18 12 10 8 7 9 11 11 16 9 9 9 8 9 9 8 7 10 9 8 7 9 9 8 10 13 33 10 9 9 8 9 17 70 17 7 8 9 9 13 57 12 17 6 18 21 11 10 13 11 9 7 9 10 10 8 9 10 8 7 9 13 9 8 10 10 8 7 10 10 8 7 9 12 9 8 9 11 8 8 9 9 7 7 13 9 12 12 20 9 8 8 9 9 7 8 9 11 9 12 13 12 9 16 12 12 8 8 9 9 7 8 9 9 9 40 30 10 7 9 9 8 9 9 9 14 9 9 9 8 8 12 17 9 8 9 9 8 8 8 10 12 13 8 16 8 9 9 11 14 10 6 8 16 20 21 100 0 7 14 9 4 8 12 8 5 8 11 8 5 9 11 8 6 9 10 8 6 9 10 7 6 9 10 7 7 9 9 7 7 9 9 7 7 9 9 7 7 9 9 7 7 9 9 7 8 9 9 7 8 10 8 7 8 10 8 7 8 10 8 6 8 10 8 7 9 10 8 7 8 10 8 7 9 9 8 7 9 9 8 7 9 9 8 7 9 9 7 7 9 9 7 7 9 9 7 7 9 9 7 8 9 9 7 8 9 9 7 8 9 9 7 8 10 9 7 8 10 11 11 15 14 15 12 9 11 8 7 8 10 8 8 9 10 8 7 9 10 8 7 9 10 8 8 10 11 21 37 43 31 31 13 10 9 8 8 10 9 8 8 9 9 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 9 9 8 7 9 9 8 7 9 9 8 8 9 9 7 8 9 9 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7 8 9 8 7; 1HNMR: 81 80 s 1H | 77 77 m 1H | 76 75 ddd 2H J 12 55 75 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC[C@H]2C[C@@]12c1cn(-c2ccccc2)cn1
ir: 1 3 5 3 2 5 5 6 5 5 4 2 2 5 7 2 8 4 5 5 5 7 7 11 7 4 3 2 3 5 44 16 16 5 7 5 6 6 4 8 45 72 37 2 4 17 20 0 3 5 3 1 3 6 4 1 2 4 3 2 4 6 6 3 6 5 4 17 35 14 3 5 6 5 5 11 5 7 15 17 5 4 2 4 4 3 2 3 6 4 2 2 4 6 4 5 34 12 28 26 6 8 9 3 8 3 5 7 7 3 1 4 7 3 1 3 6 3 1 5 9 7 6 14 13 27 3 4 6 3 3 27 9 2 4 24 5 5 2 3 4 4 10 33 14 13 5 3 7 9 3 9 21 3 3 3 2 2 3 5 2 2 2 3 4 5 6 9 4 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 2 2 3 4 4 7 12 9 5 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 2 2 1 2 2 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 3 3 3 3 3 4 3 3 3 4 3 4 3 4 9 59 20 29 100 45 80 63 9 13 18 6 4 5 4 3 2 3 3 3 3 4 8 12 6 4 4 2 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 79 79 d 1H J 18 | 75 74 m 3H | 74 74 m 3H | 43 42 dd 1H J 22 108 | 41 40 dd 1H J 40 108 | 30 29 dddd 1H J 22 40 51 62 | 26 25 dd 1H J 62 92 | 24 23 dd 1H J 53 92
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCN(CCOC(C)(c2ccccc2)c2ccccc2)CC1
ir: 11 9 5 5 7 24 16 18 9 12 10 12 8 8 10 6 6 5 6 8 2 3 6 2 2 2 2 2 5 5 16 17 19 7 4 3 4 3 3 5 17 14 27 2 4 3 4 5 2 2 2 2 4 3 2 3 3 4 3 4 3 3 3 5 4 3 3 16 24 13 6 9 11 6 5 5 5 3 10 10 73 4 5 11 8 7 4 3 4 2 2 1 2 2 3 3 4 3 5 3 3 5 3 5 2 2 2 2 5 10 5 6 14 20 38 12 7 10 14 8 13 8 7 5 5 7 8 4 10 15 3 7 6 8 7 44 7 8 5 2 0 3 9 14 100 30 6 8 5 23 68 57 18 7 1 5 2 0 1 3 4 1 1 3 2 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 2 3 5 4 3 3 3 3 5 8 17 32 15 20 99 78 12 6 2 3 4 3 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 8H | 73 72 m 2H | 41 40 q 2H J 65 | 37 36 t 2H J 56 | 33 33 m 4H | 31 31 t 2H J 56 | 26 26 m 4H | 17 17 s 2H | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccc(C2CCC(O)C2)cc1
ir: 9 22 6 11 5 13 13 8 12 15 9 4 4 14 10 5 2 5 7 6 7 10 5 3 2 4 4 4 3 4 3 2 2 3 3 2 2 4 2 1 2 3 3 4 2 3 3 3 3 7 9 3 3 7 18 29 22 4 10 4 4 5 6 3 4 6 3 4 9 7 11 6 5 7 10 7 3 6 4 2 8 10 6 9 27 66 98 38 21 11 12 24 15 16 11 59 9 5 8 10 14 8 19 12 8 6 8 6 7 4 5 7 8 10 5 12 3 8 6 8 4 29 36 12 11 15 2 5 12 9 7 3 8 3 3 2 2 1 2 2 3 3 3 3 13 30 3 9 13 20 7 5 3 4 2 2 2 1 1 2 1 0 1 2 2 2 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 5 9 8 4 5 3 9 9 6 8 10 8 4 4 7 8 1 8 10 10 13 21 10 23 40 12 12 6 11 11 17 70 100 32 17 7 11 7 5 2 3 4 3 4 2 3 2 3 5 4 3 3 3 2 3 3 4 4 2 3 2 4 5 4 3 3 3 4 1 5 3 1 5 4 2 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 72 71 m 2H | 71 70 dt 2H J 9 84 | 42 41 q 2H J 65 | 40 39 ddt 1H J 43 51 96 | 30 30 ddt 1H J 49 56 62 | 29 28 ddt 2H J 9 82 90 | 27 26 m 2H | 24 23 d 1H J 42 | 21 21 m 1H | 21 20 ddt 1H J 54 72 129 | 20 16 m 4H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(Oc2cccnc2)cc1OCC(F)(F)F
ir: 5 12 2 7 5 3 9 4 11 18 4 3 3 2 2 2 4 5 6 3 2 3 3 3 4 13 6 7 12 5 8 6 29 35 29 13 6 4 3 9 5 4 4 12 4 2 3 5 5 5 5 3 3 4 9 5 25 0 3 11 2 5 53 19 10 9 20 4 7 59 28 3 2 4 2 2 3 5 26 5 5 4 2 2 2 2 8 11 8 23 13 11 5 9 4 4 5 9 17 5 5 25 12 18 24 100 12 4 2 5 3 19 43 9 12 9 6 4 12 20 30 17 36 21 14 9 24 8 8 8 14 5 4 3 3 2 3 2 4 34 7 6 7 14 12 15 3 4 6 35 26 4 8 70 5 4 2 3 3 14 4 2 15 3 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 2 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 3 3 3 2 2 4 10 8 4 3 5 3 3 4 13 12 15 23 97 48 10 10 2 3 3 2 1 2 2 2 2 2 2 1 1 2 2 2 2 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 83 ddd 1H J 14 21 42 | 83 82 dd 1H J 13 19 | 74 73 dd 1H J 42 77 | 72 71 m 2H | 67 66 dd 1H J 22 86 | 65 64 d 1H J 24 | 48 47 q 2H J 130 | 37 36 s 3H | 36 36 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)c2cccc(C)c2F)cc1
ir: 1 1 0 1 2 1 0 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 3 2 1 2 1 0 1 5 5 3 11 26 9 1 2 2 2 2 2 10 3 1 3 3 1 0 8 35 18 2 2 1 2 2 3 5 2 1 2 2 1 2 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 4 2 1 0 1 2 1 0 1 1 1 0 2 2 1 0 1 1 1 1 1 2 2 5 4 17 5 2 3 3 2 2 14 3 1 1 2 1 1 3 5 3 1 1 3 4 16 6 20 8 2 1 2 2 5 4 7 5 6 1 1 1 1 1 2 8 1 1 1 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 2 1 3 3 6 100 35 1 3 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 m 2H | 77 76 ddd 1H J 12 41 86 | 73 73 ddt 1H J 8 37 92 | 72 72 t 1H J 88 | 69 69 m 2H | 38 38 s 2H | 23 23 dd 3H J 7 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1
ir: 0 1 1 1 1 2 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 3 4 1 1 1 1 1 2 8 2 1 2 2 2 6 15 18 23 100 7 3 6 5 2 3 2 4 4 2 1 2 1 0 1 1 1 0 1 1 1 6 1 1 0 0 1 1 1 1 2 2 3 1 2 3 0 0 1 1 0 1 1 1 0 1 1 1 1 1 7 1 0 1 1 1 0 6 1 1 0 1 2 1 0 1 1 1 1 2 1 2 1 1 1 0 0 0 4 7 3 1 1 1 0 1 1 1 7 2 1 1 1 2 4 3 2 24 15 1 4 36 23 3 1 1 1 15 2 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 3 14 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 29 13 5 2 3 2 2 1 1 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 86 86 m 3H | 79 79 s 1H | 70 69 m 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1c[nH]c2cc(F)c(-c3ccc(C4(O)CCC4)cc3)c(F)c12
ir: 3 6 26 5 3 3 4 10 5 8 5 4 11 4 7 9 11 5 4 2 2 3 2 4 35 48 3 3 5 6 43 9 4 4 4 3 2 4 2 1 3 6 4 2 2 3 3 3 3 4 3 2 3 6 10 31 17 4 6 7 4 3 3 3 5 5 38 11 9 9 5 5 9 9 6 6 4 5 6 5 17 11 16 57 42 30 35 9 16 7 3 5 3 3 4 2 5 4 8 17 9 3 3 2 14 6 19 14 4 19 25 8 4 4 60 18 5 8 23 10 5 4 3 4 7 7 2 3 3 2 2 3 4 8 2 3 8 4 4 4 4 4 7 16 8 20 3 7 11 8 36 0 8 5 14 5 3 1 35 6 2 73 4 57 2 5 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 7 5 2 3 3 3 2 6 27 31 100 22 10 14 23 4 5 5 18 6 2 3 3 2 2 2 3 2 2 3 3 2 3 3 8 14 47 50 4 5 7 2 4 3 3 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 80 80 d 1H J 73 | 75 75 dq 2H J 17 86 | 74 73 m 3H | 30 29 s 1H | 23 22 dt 2H J 79 132 | 21 20 dt 2H J 79 131 | 18 17 pd 2H J 17 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCn1c(C(F)(F)F)nc2cc(C(F)(F)F)ccc21
ir: 8 5 3 4 9 3 2 4 4 3 1 3 4 2 1 3 3 2 2 3 4 2 2 4 5 20 32 6 4 1 2 4 4 1 2 5 4 1 2 4 3 1 2 4 3 0 2 4 3 0 2 5 6 2 10 11 9 13 3 5 2 0 3 7 3 3 3 5 11 9 8 5 3 1 7 11 1 1 3 4 2 2 6 6 13 16 12 13 16 11 22 13 12 11 15 21 4 18 47 100 25 9 5 3 1 2 4 3 2 4 17 8 9 12 10 17 7 3 4 2 2 4 7 6 5 5 5 10 8 5 5 6 3 3 3 2 1 3 3 1 1 3 3 1 1 3 5 3 2 3 3 1 8 4 3 4 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 4 3 2 2 4 3 1 3 6 5 1 3 5 4 1 4 7 7 4 13 22 20 9 4 7 6 4 33 12 20 4 4 6 5 4 3 3 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 80 80 dp 1H J 9 18 | 78 77 dp 1H J 15 113 | 74 74 d 1H J 112 | 45 45 t 1H J 55 | 43 42 t 2H J 37 | 39 38 dt 2H J 37 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(cccc1-c1ccc(N3CCNCC3)cc1)C2=O
ir: 2 4 5 3 2 2 17 5 9 5 5 4 4 4 4 2 4 4 4 3 6 5 3 1 1 3 3 2 3 4 2 3 3 3 3 2 15 4 8 4 7 7 5 1 1 6 5 2 2 2 9 25 56 100 62 45 31 6 5 15 5 6 5 5 7 4 3 2 16 5 5 3 13 4 2 1 9 6 2 1 3 1 1 3 5 3 2 6 2 5 2 1 1 2 6 2 1 2 2 2 1 3 1 2 2 3 1 3 7 9 10 7 10 6 7 16 9 4 4 3 6 3 3 4 4 6 2 3 7 6 2 4 1 3 1 2 2 2 3 13 4 4 7 12 10 55 46 25 22 43 14 48 38 6 97 0 6 6 2 0 1 2 6 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 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 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 2 1 1 1 2 2 2 2 5 4 14 52 23 12 4 3 3 3 2 1 2 2 2 1 2 2 2 5 3 17 23 18 3 7 2 1 3 1 2 1 4 6 77 13 2 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1; 1HNMR: 79 78 t 1H J 78 | 78 78 m 2H | 78 77 td 2H J 12 77 | 76 75 m 2H | 72 71 m 2H | 69 68 m 2H | 63 63 s 2H | 33 33 m 4H | 30 29 m 4H | 20 19 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cc(CS(C)(=O)=O)ccc2NCC(C)(C)CN2CCOCC2)c2cc[nH]c2c1=O
ir: 8 5 0 7 6 11 7 11 9 5 5 8 8 6 8 9 5 5 5 5 7 7 4 6 3 3 5 18 8 4 11 5 3 3 2 7 9 1 5 8 8 100 80 9 4 3 2 5 6 1 2 3 3 6 16 7 7 6 3 5 2 1 2 6 3 1 3 3 4 14 39 17 11 5 3 3 2 1 2 10 13 5 14 9 8 36 21 11 9 11 24 8 11 9 6 5 4 6 26 15 11 18 21 5 10 15 5 3 9 6 5 2 1 2 7 4 3 7 9 17 7 19 17 6 16 30 21 25 10 7 11 6 16 13 5 5 4 4 3 2 2 6 3 2 7 5 5 9 18 48 33 14 14 6 5 18 3 48 1 3 2 5 4 1 1 5 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 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 2 1 1 1 2 1 1 2 2 2 4 3 3 2 2 2 1 6 2 3 3 3 7 11 21 32 10 16 23 20 9 13 21 8 2 4 3 2 1 2 2 1 2 2 3 2 2 2 2 3 5 10 40 20 23 43 18 8 2 6 4 2 2 3 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 q 1H J 9 | 74 73 dt 1H J 9 21 | 72 71 m 2H | 69 68 m 2H | 62 62 t 1H J 55 | 44 43 d 2H J 9 | 38 38 d 3H J 11 | 37 36 m 4H | 33 33 d 2H J 55 | 30 30 s 3H | 26 26 m 4H | 25 25 s 2H | 10 9 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)N1CCOC2CN(C(=O)C(F)(F)F)CCC21
ir: 5 9 4 2 2 3 4 2 3 4 5 9 3 3 2 3 2 6 2 2 1 1 2 2 2 2 3 5 2 2 3 4 5 5 3 2 2 3 3 3 2 2 1 2 2 2 1 2 2 2 2 1 2 2 2 2 3 2 2 2 1 2 5 3 3 2 2 2 2 3 2 2 1 1 2 3 2 1 2 5 2 1 1 1 2 6 5 2 9 4 3 7 9 4 3 2 3 7 4 12 15 5 10 4 1 2 2 2 6 2 6 2 2 3 3 2 3 4 5 8 16 8 3 4 3 3 4 6 4 8 3 5 1 2 4 2 2 3 3 2 1 2 2 2 1 2 2 7 4 4 6 100 3 0 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 2 2 2 3 2 4 6 15 6 3 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 1 1 1 1 1 1 1 1 1; 1HNMR: 42 42 dt 1H J 24 57 | 41 41 q 1H J 55 | 40 39 m 2H | 39 36 m 6H | 35 34 ddd 1H J 51 79 119 | 22 21 ddt 1H J 54 80 121 | 19 18 ddt 1H J 54 80 122 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C=CC(=O)c1ccccc1
ir: 3 1 2 2 1 2 1 4 2 2 2 3 2 1 1 1 3 5 5 1 2 0 0 1 2 1 2 8 3 1 3 5 10 24 100 39 2 5 4 2 4 5 6 30 3 3 5 1 1 3 2 8 9 1 1 0 1 1 1 0 1 2 1 5 10 12 6 11 15 4 10 8 7 3 4 3 5 4 10 14 16 39 12 12 5 2 2 3 1 17 24 19 8 14 7 3 3 2 2 2 0 2 4 6 8 19 13 15 8 5 4 6 6 5 8 7 34 13 7 4 6 5 4 4 4 2 4 11 7 8 2 8 5 11 24 20 12 32 36 47 18 21 41 60 16 11 4 5 5 1 1 1 2 1 1 1 1 1 1 2 4 2 1 2 2 4 25 8 3 2 1 1 1 1 1 1 0 1 1 1 0 0 0 1 1 0 1 1 0 1 0 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 1 2 1 1 3 5 5 12 48 34 32 75 23 7 17 4 5 1 2 1 1 1 2 1 1 1 1 1 1 0 1 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 76 75 m 1H | 75 74 m 3H | 63 62 d 1H J 141 | 29 29 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C2CC2)nc(O)c1Br
ir: 4 4 8 4 15 13 8 16 4 6 6 5 7 7 9 5 33 16 7 26 8 2 1 3 3 2 2 4 7 3 3 4 3 2 3 6 8 31 100 38 75 13 6 0 4 8 5 4 5 5 4 0 1 3 2 1 2 6 3 3 4 4 2 1 3 4 5 14 5 11 3 9 8 14 15 14 10 4 5 3 6 11 8 7 5 9 4 3 6 4 2 6 8 4 2 1 2 2 2 2 2 2 1 1 2 2 2 4 3 6 1 2 2 2 1 3 5 5 2 3 14 15 1 2 2 1 1 2 2 1 2 3 3 1 1 2 2 1 1 2 9 11 10 16 15 13 72 31 49 53 18 25 6 2 5 3 2 1 1 2 2 7 7 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 1 1 1 1 1 1 2 3 2 2 2 2 1 1 1 2 3 2 3 3 9 13 14 18 10 17 5 8 6 6 3 3 1 0 33 26 23 0 2 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 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; 1HNMR: 27 26 p 1H J 56 | 24 24 s 2H | 12 11 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(C)(C)C
ir: 2 4 5 3 2 2 3 2 2 4 5 4 4 3 3 3 1 3 4 3 2 2 3 3 7 4 6 3 9 4 8 9 9 5 3 4 6 5 5 17 25 16 43 8 3 3 3 1 3 2 2 1 1 2 2 2 1 2 2 1 3 2 3 2 2 10 6 2 5 3 2 1 2 2 2 2 2 2 1 2 3 2 1 1 1 2 1 2 1 2 1 1 2 2 2 1 3 4 3 3 2 2 1 3 4 3 2 5 7 4 2 2 3 4 5 12 5 6 5 5 7 4 3 4 3 4 3 3 3 8 5 4 3 2 2 6 4 3 3 3 3 42 31 43 9 5 6 8 7 100 0 4 5 7 1 4 2 1 1 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 2 1 2 2 2 2 2 3 4 6 14 5 5 18 20 9 6 8 3 4 2 1 2 2 2 1 2 2 2 2 2 2 2 2 4 3 6 10 15 34 9 5 3 2 2 1 1 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 d 1H J 68 | 76 76 m 1H | 74 74 d 1H J 92 | 74 73 m 7H | 72 71 m 2H | 71 70 dt 1H J 8 66 | 63 62 d 1H J 81 | 51 51 s 2H | 47 46 dt 1H J 64 90 | 43 42 dq 1H J 57 81 | 34 33 ddd 1H J 7 64 148 | 32 31 ddd 1H J 7 64 148 | 14 14 s 7H | 13 13 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CN(C(=O)c1ccc(OC(F)(F)F)cc1)C1CC1
ir: 3 8 6 4 7 6 6 5 2 4 4 3 5 4 5 5 2 2 2 6 6 2 3 2 2 8 9 8 5 6 4 5 2 5 5 5 9 8 18 32 59 16 7 3 4 4 4 5 5 2 2 10 8 0 26 84 94 17 5 2 4 5 3 1 3 3 3 0 3 21 2 3 5 12 4 4 3 3 2 1 3 3 1 11 7 5 2 5 4 4 2 3 8 9 31 27 18 24 46 66 34 84 34 27 15 3 3 3 4 9 3 3 3 6 5 5 4 5 15 20 10 6 9 29 100 47 19 8 10 6 4 2 3 8 7 9 4 3 3 6 5 7 54 99 67 24 8 6 6 8 27 43 27 8 5 3 3 2 2 1 3 9 20 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 3 2 2 2 4 2 4 3 4 6 2 3 15 11 8 16 23 39 63 37 22 26 13 12 8 7 3 2 2 2 1 2 2 2 2 3 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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; 1HNMR: 77 76 m 2H | 73 72 m 2H | 42 41 q 2H J 66 | 41 41 s 2H | 33 33 p 1H J 59 | 13 12 t 3H J 66 | 9 8 m 2H | 6 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCN=C=S
ir: 7 10 7 15 10 13 13 19 15 8 20 9 14 5 8 8 7 5 8 10 11 5 8 6 4 9 7 6 7 6 13 12 8 9 14 5 11 10 9 4 8 6 4 3 2 5 3 0 12 9 7 2 3 3 2 1 2 4 2 2 5 6 11 2 29 9 16 9 31 10 8 24 9 6 7 2 7 9 17 5 5 4 3 2 2 2 35 33 16 7 7 8 100 7 7 7 6 9 2 6 27 9 2 2 3 2 1 2 3 2 2 2 3 1 1 2 2 3 7 4 4 7 2 2 3 1 1 2 2 1 5 3 2 4 13 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 2 1 3 3 7 66 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 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 4 2 1 3 2 1 1 3 2 2 7 7 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 34 34 t 2H J 65 | 30 29 t 2H J 65 | 24 24 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nccc(Cl)n1
ir: 0 1 2 3 1 2 1 1 1 1 1 1 0 1 2 5 5 1 1 1 0 1 1 1 1 1 1 1 1 3 9 25 13 2 8 9 2 1 1 2 1 0 2 12 8 3 1 0 1 1 1 1 1 3 3 0 1 1 1 0 1 2 1 1 2 4 3 1 2 7 24 42 42 10 3 2 1 1 1 1 2 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 9 6 3 2 1 2 2 1 1 2 2 2 3 1 1 1 4 4 2 1 1 2 9 27 26 2 1 1 1 1 1 2 8 15 1 5 72 100 20 1 2 3 1 2 30 23 6 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 1 1 1 1 1 2 3 3 2 3 3 4 1 13 20 10 5 7 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 d 1H J 35 | 70 69 d 1H J 35 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2nc3cc(F)cc(OCCOC(C)C)c3c(=O)[nH]2)cc(C)n1
ir: 1 2 1 2 1 1 1 3 1 1 2 4 3 10 3 1 1 1 1 1 1 2 3 4 5 6 2 5 2 1 1 2 3 2 6 1 1 1 3 2 35 19 2 1 3 2 4 24 88 4 3 1 2 1 1 1 1 1 1 2 3 1 4 2 6 14 13 20 18 4 8 11 7 3 4 2 8 4 2 5 6 5 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 0 2 0 1 2 5 0 1 1 3 3 4 2 1 1 2 2 2 3 5 2 3 2 1 1 1 7 2 1 1 1 1 22 5 17 28 26 3 2 4 1 1 1 1 1 3 15 4 1 1 3 9 100 12 14 2 4 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 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 3 3 4 7 8 10 45 10 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 18 14 7 8 8 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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: 72 71 m 3H | 69 68 dd 1H J 22 121 | 42 42 t 2H J 51 | 38 37 t 2H J 51 | 37 36 hept 1H J 55 | 25 25 s 6H | 12 11 d 6H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCN(CCc1cccc(F)c1)C(=O)OCc1ccccc1
ir: 6 3 3 5 2 4 2 6 6 3 8 19 22 8 13 5 3 26 5 17 21 49 19 9 10 4 3 3 7 3 9 7 3 2 3 2 2 2 9 18 31 16 5 3 3 7 8 16 8 5 3 2 2 2 3 2 2 3 2 2 2 2 2 1 2 4 7 4 9 4 3 3 2 2 2 2 5 10 15 35 6 5 4 4 2 5 9 4 7 32 2 1 3 3 1 2 3 6 13 3 5 3 2 5 2 2 1 1 3 2 2 5 6 5 10 3 2 3 3 5 10 5 5 5 5 10 18 13 11 3 4 4 3 1 9 13 8 3 3 3 7 12 10 50 9 7 11 2 1 3 15 56 4 4 8 5 2 1 2 3 4 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 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 1 1 2 2 2 4 3 4 2 3 3 2 1 4 11 6 7 11 99 25 15 4 3 2 2 4 13 100 35 1 0 4 4 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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: 74 73 m 7H | 71 70 ddq 1H J 11 20 77 | 70 69 m 2H | 52 51 s 2H | 35 34 dt 4H J 63 87 | 29 28 tt 2H J 9 61 | 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.
CSc1nc(NC2CCCC2)n2nc(-c3ccccc3)c(-c3ccnc(F)c3)c2n1
ir: 4 4 3 4 4 3 4 2 3 5 4 4 11 8 13 7 12 7 7 6 2 5 6 4 5 3 4 3 6 5 6 7 4 5 6 4 8 44 10 29 6 2 4 6 4 2 3 5 3 2 2 3 3 2 3 3 3 2 3 3 4 2 3 3 4 3 3 12 12 6 3 2 2 4 3 5 4 3 3 2 3 2 2 2 2 3 2 2 2 2 2 2 3 4 2 2 2 2 2 3 6 3 3 3 5 2 4 4 2 12 17 6 9 3 2 5 4 5 3 4 4 8 4 4 5 4 1 11 100 7 6 2 2 3 7 7 15 4 13 3 3 4 11 9 5 4 5 34 43 20 5 0 8 6 4 44 14 4 3 2 2 5 16 3 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 3 3 3 3 3 4 4 5 7 9 7 23 10 7 6 3 2 3 3 3 2 2 2 2 2 2 3 3 2 2 2 3 3 5 4 6 9 22 24 5 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 dd 1H J 48 55 | 79 78 m 2H | 77 77 d 1H J 62 | 76 75 m 3H | 74 73 m 2H | 42 42 dp 1H J 28 57 | 26 26 s 3H | 21 20 m 2H | 18 16 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc([C@H]2S[C@H](CCO)c3nnc(C)n3-c3ccc(Cl)cc32)c1OC
ir: 6 3 6 6 5 4 5 18 8 5 1 8 0 8 8 5 6 10 3 4 15 6 11 2 2 2 3 1 3 3 3 2 1 3 4 0 3 5 3 3 23 4 3 4 5 2 4 37 28 55 11 8 10 18 38 11 2 5 4 12 11 5 7 16 10 13 10 31 17 5 5 3 4 3 2 2 3 5 4 9 5 6 9 5 8 10 40 56 36 67 19 8 13 40 11 15 9 6 7 5 6 17 4 4 5 4 3 2 13 7 1 2 5 6 24 2 3 5 2 8 8 1 1 5 5 3 2 4 10 3 3 11 3 4 4 2 1 17 16 10 11 15 2 4 3 1 0 7 9 18 8 2 6 18 1 1 2 26 17 5 2 1 1 2 2 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 1 3 3 4 4 3 4 5 40 7 7 9 16 11 10 50 100 8 8 6 4 9 60 43 13 5 3 2 2 3 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 76 75 d 1H J 80 | 75 74 dd 1H J 21 80 | 74 74 m 1H | 71 71 dt 1H J 9 73 | 70 70 m 1H | 68 68 dd 1H J 12 80 | 56 56 d 1H J 9 | 49 48 t 1H J 68 | 39 38 m 7H | 38 37 m 1H | 34 33 t 1H J 56 | 25 24 m 1H | 25 24 s 3H | 23 22 ddt 1H J 53 68 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(N2CCCS2(=O)=O)c(OCC2CC2)n1
ir: 1 1 1 2 1 1 1 1 1 1 2 5 3 1 1 1 1 2 2 1 1 2 9 20 4 1 1 1 1 1 0 1 0 0 1 1 1 2 1 1 4 6 1 1 1 1 0 1 0 1 1 2 3 1 2 4 2 1 1 1 0 0 0 1 1 2 2 1 1 1 1 1 0 0 0 1 0 1 3 5 1 1 2 3 1 2 2 1 5 8 1 1 2 1 2 2 3 1 1 11 2 2 1 1 0 0 0 1 0 1 2 3 1 1 0 4 6 1 1 2 1 1 1 0 1 1 3 2 1 1 1 1 1 0 0 0 0 1 1 1 1 5 3 9 2 1 2 3 2 0 1 1 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 1 0 0 1 1 1 2 2 5 1 1 6 2 2 1 2 1 0 1 2 4 100 6 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 77 | 76 76 d 1H J 78 | 42 41 d 2H J 55 | 41 40 dd 2H J 54 64 | 34 33 dd 2H J 68 76 | 22 21 m 2H | 15 14 tt 1H J 54 62 | 7 7 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCc2c(n(CCCc3cccnc3)c3ccc(Cl)cc23)C1
ir: 6 10 0 50 18 6 3 3 4 3 3 4 5 2 5 12 6 3 16 3 3 6 12 12 5 3 5 6 4 5 7 11 6 9 39 7 6 5 4 11 6 11 7 5 4 5 5 11 9 1 5 5 8 20 44 17 8 4 6 7 4 9 46 31 11 12 76 36 8 5 57 2 8 4 2 3 9 6 11 4 45 20 4 1 7 4 15 7 3 3 17 13 4 4 4 11 13 23 14 16 10 4 15 2 2 3 5 4 1 4 12 43 35 9 6 5 4 16 22 7 7 16 32 49 19 8 5 8 6 4 3 3 6 3 2 4 3 5 7 63 8 9 7 3 4 5 13 11 4 2 4 23 11 59 20 4 5 6 30 7 5 2 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 4 3 12 6 7 4 4 3 4 5 6 15 42 14 36 100 58 56 11 6 5 2 3 3 2 2 2 2 2 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 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 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: 85 84 m 2H | 75 75 dtt 1H J 8 19 78 | 73 72 dd 1H J 26 82 | 72 72 dd 1H J 43 77 | 71 71 d 1H J 25 | 71 70 d 1H J 82 | 41 40 t 2H J 60 | 37 37 s 2H | 29 29 dd 2H J 41 50 | 29 28 m 2H | 28 27 tt 2H J 8 86 | 25 25 s 2H | 21 20 tt 2H J 60 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)N(CCC(O)Cc1ccc(F)cc1)Cc1ccccc1
ir: 1 1 1 1 1 2 4 2 1 2 2 2 2 3 5 3 0 1 3 3 1 2 3 3 1 4 5 4 5 2 2 5 2 2 1 1 4 3 9 21 24 10 2 4 4 2 4 4 2 3 2 0 3 5 7 15 7 2 2 1 1 0 2 2 1 0 1 4 8 18 3 3 4 1 1 1 1 1 1 1 0 1 1 1 1 3 3 6 40 23 3 1 1 2 1 1 2 13 6 6 1 3 2 3 3 4 1 1 0 1 1 1 1 1 2 1 2 3 2 1 2 4 5 6 7 5 4 3 1 1 2 1 2 2 7 7 4 2 2 1 2 2 7 7 4 5 11 40 33 7 2 4 6 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 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 1 1 2 1 1 2 6 25 15 33 19 13 9 2 1 1 3 29 100 1 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 5H | 72 71 ddt 2H J 9 34 78 | 71 70 m 2H | 44 44 d 2H J 10 | 42 42 s 2H | 39 38 tq 1H J 61 71 | 35 34 dt 1H J 90 124 | 33 32 dt 1H J 89 123 | 30 30 d 1H J 57 | 29 29 ddt 1H J 9 72 138 | 27 27 ddt 1H J 9 71 139 | 19 18 dtd 1H J 62 88 132 | 17 16 dtd 1H J 62 89 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CO)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
ir: 6 3 9 12 7 4 4 2 1 3 6 6 3 6 4 8 9 7 5 13 49 17 6 1 4 4 2 3 2 2 5 7 15 6 12 7 9 5 6 1 2 27 8 3 2 1 1 1 1 1 2 4 0 0 0 1 1 1 0 1 0 0 1 2 2 2 1 1 4 3 1 0 5 4 5 3 2 2 8 9 6 18 7 9 11 5 3 5 2 1 2 2 21 24 9 3 2 2 1 7 2 1 1 1 2 4 1 1 1 1 1 1 1 1 0 1 3 2 1 4 4 4 2 1 3 3 3 2 1 1 1 2 1 1 1 5 10 2 1 2 7 7 14 100 10 4 2 1 5 61 5 1 1 1 0 0 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 2 2 2 4 3 5 41 19 1 1 3 2 2 22 8 4 9 2 1 0 0 1 0 0 0 1 0 1 1 2 5 31 31 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 77 76 ddd 2H J 7 15 77 | 76 75 td 2H J 12 77 | 74 74 td 2H J 14 78 | 68 68 s 1H | 46 46 t 1H J 60 | 45 44 d 2H J 49 | 42 42 m 1H | 41 40 dd 1H J 60 115 | 39 38 dd 1H J 60 117 | 15 15 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCCN3CCS(=O)(=O)CC3)c2c1
ir: 7 4 18 11 14 10 6 7 5 11 5 4 9 5 5 8 4 11 4 4 4 4 4 3 1 1 2 7 4 3 5 3 2 1 1 1 1 2 7 16 2 20 11 8 3 0 2 2 13 6 2 3 3 4 4 30 12 3 3 2 2 3 2 4 10 10 13 9 8 35 9 5 3 2 9 3 2 1 2 6 16 4 6 21 15 45 10 7 28 27 7 6 4 2 5 6 6 5 7 6 2 3 2 7 15 26 100 9 12 3 2 6 6 5 5 5 7 4 5 7 4 9 2 5 6 5 4 4 8 5 3 6 6 4 8 10 6 5 4 4 1 2 3 2 10 3 7 3 7 4 6 17 6 2 1 0 2 1 2 2 5 6 21 4 13 4 8 4 1 1 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 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 1 0 1 0 0 1 0 0 1 0 0 0 1 1 0 1 1 1 1 2 2 3 12 2 4 3 1 1 2 3 2 20 19 14 50 14 3 3 4 1 0 1 1 1 1 1 1 1 0 1 1 2 1 1 1 1 3 6 6 14 16 19 5 3 2 2 1 1 1 1 0 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H | 79 78 m 1H | 77 77 m 2H | 75 74 m 3H | 65 65 t 1H J 44 | 62 61 s 1H | 49 48 d 2H J 6 | 39 38 t 2H J 89 | 35 34 m 4H | 32 32 dd 4H J 56 73 | 31 30 m 4H | 28 28 t 2H J 52 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCSc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1-c1ccccc1
ir: 0 1 4 5 1 3 2 2 3 7 6 2 3 2 2 2 2 2 13 4 12 37 100 8 4 2 2 1 3 2 3 1 2 4 1 1 2 25 3 1 4 10 1 2 1 0 1 1 1 1 2 6 2 1 1 1 1 1 0 0 3 1 1 0 1 15 3 2 7 17 2 1 1 1 2 2 4 4 59 3 1 2 22 3 6 4 2 6 4 1 1 1 1 5 4 2 1 1 0 0 1 1 2 2 5 3 3 1 1 1 1 1 1 1 0 2 6 4 2 6 1 1 1 1 1 1 3 5 4 2 2 0 1 4 22 6 3 1 1 1 1 2 1 5 5 18 5 1 2 2 3 1 1 1 1 1 4 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 7 9 30 8 4 1 1 1 0 1 1 2 19 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 d 1H J 22 | 82 82 d 1H J 22 | 76 75 m 2H | 75 74 m 2H | 74 73 m 1H | 30 29 t 2H J 67 | 17 16 dqd 1H J 54 65 120 | 15 15 td 2H J 55 67 | 9 9 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](N)[C@H](Oc1ccc2c(cnn2C2CCCC2)c1)c1ccccc1
ir: 2 2 3 3 2 3 4 3 2 2 2 2 2 2 3 3 3 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 2 2 2 3 3 19 7 3 4 4 2 2 2 2 2 2 3 2 6 4 3 3 2 2 2 2 6 8 3 5 3 7 9 22 17 27 9 4 4 4 3 3 2 2 5 9 4 2 8 5 2 2 2 2 8 3 2 2 2 2 2 7 5 3 2 2 2 2 3 10 3 3 3 5 4 3 3 3 3 3 2 3 6 4 3 6 5 2 2 4 3 2 3 3 4 3 12 18 17 7 48 3 2 2 2 2 2 3 7 3 2 8 7 2 2 3 3 4 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 2 3 3 2 3 3 3 3 5 6 4 8 13 9 4 3 3 2 3 2 2 3 3 3 4 4 6 10 10 8 2 7 6 4 13 100 0 4 3 1 3 3 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 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 80 d 1H J 17 | 77 77 d 1H J 88 | 74 73 m 7H | 70 70 dd 1H J 25 87 | 49 49 dtd 1H J 11 24 60 | 48 47 p 1H J 26 | 35 34 hd 1H J 50 59 | 23 23 d 2H J 62 | 22 21 m 2H | 20 19 m 4H | 18 17 m 2H | 12 11 dd 3H J 16 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(OCCS(=O)CCCO)ccc1Cl
ir: 5 7 8 7 4 6 10 10 5 12 10 14 12 11 29 10 11 15 16 18 29 21 7 15 16 37 42 10 3 9 18 12 16 24 6 4 4 5 7 9 7 10 65 43 18 13 8 9 5 7 5 3 14 83 36 1 4 20 9 3 8 7 4 4 5 11 5 3 21 20 21 6 5 6 2 2 4 5 3 5 5 7 4 1 9 11 5 8 6 12 23 16 18 20 10 32 41 55 12 13 12 14 15 6 5 5 6 8 19 25 13 11 8 5 6 5 12 11 17 9 14 9 8 12 17 7 19 15 21 6 2 6 12 38 16 15 3 4 3 3 4 3 4 5 31 28 28 61 17 3 10 41 18 7 5 7 4 0 2 5 4 1 5 6 3 0 2 6 3 0 3 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 3 4 1 1 3 4 1 1 4 3 2 2 4 4 2 2 4 4 1 2 5 3 2 3 6 8 11 12 9 7 7 5 7 8 28 36 12 9 100 28 12 4 8 50 38 12 7 5 5 5 2 3 5 3 2 4 5 4 4 9 13 31 16 35 47 19 21 10 7 2 2 4 4 3 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 76 76 t 1H J 61 | 75 74 d 1H J 90 | 73 73 d 1H J 26 | 70 69 dd 1H J 27 90 | 44 43 t 2H J 64 | 37 37 td 2H J 51 64 | 34 33 d 2H J 61 | 30 29 m 3H | 27 27 t 2H J 86 | 21 20 ddd 3H J 51 58 109 | 20 19 tt 2H J 64 86 | 18 17 dt 3H J 57 130 | 16 15 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C)nc2ccc(OC)nc2c1N
ir: 3 5 9 5 6 5 7 4 6 3 4 4 7 20 9 9 9 8 3 5 5 5 6 5 4 2 1 1 1 1 2 3 1 2 8 27 30 4 4 1 2 1 2 3 2 1 1 1 2 1 3 4 3 2 2 5 22 6 2 2 1 1 1 2 1 2 1 2 4 2 3 1 3 2 3 1 2 2 1 3 9 10 3 1 7 13 3 3 1 3 2 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 2 2 1 2 1 1 2 10 8 12 4 4 15 3 1 1 1 2 2 2 2 1 1 5 2 2 1 1 1 2 16 18 5 2 1 1 1 1 8 22 8 3 2 18 5 36 7 2 3 5 90 5 4 2 3 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 2 1 2 5 5 2 6 9 11 10 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 10 30 2 1 0 1 1 1 0 2 2 1 6 100 65 4 2 0 0 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 81 | 73 73 s 2H | 69 69 d 1H J 81 | 43 42 q 2H J 63 | 40 39 s 3H | 27 27 s 3H | 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.
CC1OS(=O)(=O)N(C(=O)OC(C)(C)C)C1C
ir: 21 18 4 10 4 11 11 20 27 13 12 8 49 32 21 24 11 5 5 2 4 10 11 5 2 4 10 6 7 5 4 2 2 4 4 2 3 5 4 4 6 5 4 2 3 5 4 2 4 12 16 9 5 6 4 0 4 7 4 1 6 8 6 8 6 7 4 4 15 23 9 12 15 15 21 18 18 17 3 2 5 6 4 4 4 7 36 19 40 50 16 6 5 4 1 2 5 5 2 3 5 7 2 3 8 10 13 8 7 8 5 8 11 6 6 6 8 10 8 11 20 9 7 8 10 6 37 62 13 21 12 16 18 9 4 4 4 3 2 3 3 3 3 3 3 4 4 0 1 94 18 100 5 1 2 5 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 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 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 4 2 3 6 6 5 5 5 4 2 3 6 5 2 6 9 15 42 15 17 5 5 4 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4; 1HNMR: 48 47 m 1H | 42 42 m 1H | 15 15 s 8H | 13 13 ddd 7H J 15 71 93
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CN2C(=O)C3(COc4cc5c(cc43)CCO5)c3ccccc32)cc1
ir: 2 10 12 8 8 4 7 5 8 8 12 4 12 6 5 5 9 12 21 2 2 5 5 3 9 7 2 3 5 10 1 3 7 4 4 2 14 6 5 6 6 6 67 70 15 0 5 7 3 1 3 4 3 1 15 11 55 11 6 5 3 3 7 14 5 15 20 14 19 10 13 19 6 10 11 15 3 2 15 4 2 4 3 5 7 2 3 3 6 4 5 9 6 8 11 2 3 4 5 8 10 3 3 5 3 2 2 5 7 2 4 6 7 6 8 34 19 5 9 7 14 10 6 7 6 22 9 8 2 4 7 26 14 3 2 4 2 13 9 7 3 7 23 28 35 8 2 5 81 76 35 27 46 11 6 2 1 2 2 14 2 17 4 1 1 3 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 1 3 4 3 2 3 4 3 2 4 8 24 14 24 100 84 13 7 7 4 4 4 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 74 72 m 8H | 66 66 s 1H | 53 52 m 2H | 51 50 d 1H J 115 | 48 48 d 1H J 114 | 45 44 t 2H J 41 | 39 39 s 2H | 32 31 td 2H J 9 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2ccnc(Cl)c2cc1OCC
ir: 0 4 7 3 0 4 6 3 0 4 7 3 3 4 6 6 4 14 6 3 3 71 24 5 3 7 7 4 5 6 9 7 14 17 9 3 2 6 5 1 3 7 6 3 4 7 4 1 7 45 8 4 6 8 7 1 7 7 3 0 4 8 8 5 7 9 21 21 9 10 7 8 12 21 45 100 33 17 12 5 5 6 2 2 5 5 2 2 5 11 3 3 7 5 1 23 10 6 1 2 6 5 3 4 20 9 2 5 6 10 8 65 9 9 4 6 10 11 6 9 21 40 7 9 8 6 3 14 10 4 4 4 5 3 5 7 22 12 5 6 6 3 3 6 8 26 14 6 4 2 3 5 4 2 30 16 12 53 10 15 8 3 4 5 3 1 4 10 17 1 3 6 3 1 4 5 3 1 4 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 4 6 9 3 4 5 5 2 4 6 4 4 4 8 6 7 21 12 5 78 66 10 5 3 3 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 5 3 1 3 5; 1HNMR: 83 83 d 1H J 45 | 77 76 s 1H | 75 74 dd 1H J 21 45 | 73 72 d 1H J 24 | 42 41 q 4H J 63 | 15 14 t 6H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
ir: 8 4 1 3 4 4 6 6 4 2 3 5 4 2 1 4 9 2 5 16 4 2 2 4 5 5 2 3 4 1 3 18 10 32 2 3 3 1 1 3 3 5 18 9 4 1 2 6 3 0 4 19 39 100 7 4 3 1 4 4 10 1 2 4 3 3 6 15 7 5 3 4 10 1 3 3 2 2 3 18 16 8 5 3 2 3 4 5 1 1 5 3 3 3 6 6 3 2 5 5 6 34 7 3 2 3 9 6 4 5 3 17 2 5 12 14 3 5 11 6 7 23 10 7 4 6 20 12 8 11 4 2 1 4 16 3 1 4 15 2 1 3 3 1 1 5 13 8 2 4 7 1 2 3 3 3 13 5 5 12 37 3 3 16 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 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 3 1 3 5 4 2 2 3 3 2 3 7 9 4 20 17 7 3 3 4 2 1 3 3 3 1 3 3 2 1 2 3 4 2 3 3 11 5 10 17 57 27 25 10 7 7 14 3 2 2 3 3 1 2 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 91 90 s 1H | 76 76 dd 1H J 22 121 | 73 73 dd 1H J 22 121 | 45 44 d 1H J 134 | 43 43 d 1H J 134 | 32 31 m 1H | 31 30 m 1H | 22 22 m 1H | 21 19 m 4H | 16 16 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1sc2cc(Cl)ccc2n1CCCN1CCN(c2ccccc2)CC1
ir: 5 2 1 4 1 1 2 3 1 0 1 1 1 2 3 1 0 1 2 1 0 0 0 0 2 1 1 1 1 3 1 2 1 1 2 2 1 1 1 2 5 18 5 1 1 2 1 0 0 1 1 0 1 3 8 4 3 1 2 3 3 1 2 9 7 4 4 4 2 4 6 2 4 0 1 1 1 1 3 2 12 3 7 2 15 8 4 3 1 1 1 0 1 3 2 1 1 2 2 2 1 1 5 3 1 1 1 2 2 15 3 2 3 3 1 1 0 2 2 1 1 3 3 1 2 0 0 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 2 14 100 3 1 0 2 20 5 8 1 2 1 1 0 0 1 1 7 1 1 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 3 6 6 66 9 5 4 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 22 | 73 73 d 1H J 86 | 73 72 m 2H | 72 72 dd 1H J 22 86 | 69 69 m 2H | 69 68 tt 1H J 13 77 | 41 41 t 2H J 62 | 33 32 m 4H | 28 27 m 4H | 26 26 t 2H J 64 | 20 20 p 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(F)(F)c1cccc(NC(=O)N2CCn3ncc(-c4ccc(F)cc4)c3C2)c1
ir: 4 2 2 3 2 3 10 8 4 10 5 3 1 3 3 1 5 5 3 6 1 4 13 10 2 4 4 2 6 5 13 15 10 8 8 3 14 10 7 31 67 40 6 10 11 29 12 41 7 9 7 4 6 7 16 15 20 6 3 1 3 2 2 2 3 4 4 11 13 11 5 3 3 2 1 2 2 3 2 2 5 5 2 3 8 8 5 6 4 2 2 4 11 7 16 9 15 5 1 1 3 9 5 3 19 9 8 1 3 2 1 2 9 14 26 13 7 3 9 6 7 5 6 6 8 5 15 10 16 15 12 8 4 4 1 4 4 7 4 5 5 3 2 5 3 8 24 99 21 5 6 46 49 48 5 3 7 29 2 3 2 6 14 6 3 1 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 2 3 1 2 3 2 2 3 3 2 2 2 4 5 7 27 16 33 36 100 18 7 1 2 4 2 2 3 3 1 1 1 2 1 2 5 2 2 1 6 11 10 24 54 13 4 4 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 84 84 s 1H | 80 80 s 1H | 76 76 t 1H J 21 | 75 74 m 4H | 73 73 m 1H | 73 72 m 2H | 46 46 s 2H | 40 39 m 2H | 38 37 m 2H | 24 23 s 1H | 23 23 s 1H | 23 23 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1[nH]ncc1-c1ccccc1
ir: 7 4 2 8 9 9 15 14 23 12 6 8 8 4 5 3 11 3 5 8 7 4 3 6 7 2 2 7 8 2 4 16 41 62 8 8 6 3 3 11 100 56 35 13 17 17 18 26 22 28 49 31 11 1 10 9 9 2 9 9 6 0 5 6 4 3 5 15 14 12 16 8 7 6 9 12 20 4 12 7 10 11 30 38 35 8 19 10 5 3 5 5 4 10 6 5 0 3 10 6 1 3 6 4 6 22 21 7 0 12 21 49 56 32 14 14 4 30 33 46 34 13 10 10 14 13 15 18 15 17 24 6 7 10 56 28 8 7 8 9 7 22 99 75 13 8 7 7 3 5 5 9 8 7 3 2 2 4 3 1 3 4 3 1 2 5 3 1 3 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 4 4 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 4 3 2 1 4 3 1 1 4 3 1 2 5 4 3 5 12 10 12 14 20 12 11 10 15 9 18 17 4 65 46 31 52 64 24 11 8 10 25 16 36 28 25 32 28 41 33 15 8 4 2 4 4 3 2 3 4 2 2 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 0; 1HNMR: 84 83 s 1H | 75 75 m 2H | 75 74 m 2H | 74 73 m 1H | 28 28 t 2H J 58 | 18 17 qt 2H J 59 75 | 11 10 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Cl)ccnc2cc1Br
ir: 7 2 2 4 8 9 3 1 2 2 1 1 1 0 0 1 1 3 2 5 2 3 7 5 1 1 1 2 1 6 2 3 3 1 3 16 13 1 1 1 1 0 0 1 2 0 1 2 3 12 26 9 6 9 1 1 1 0 2 6 7 2 1 2 1 3 3 10 25 14 11 47 29 30 24 2 2 10 5 3 1 0 1 10 1 0 1 1 0 0 1 1 1 6 10 2 1 1 25 13 2 20 21 2 1 1 1 2 8 3 2 1 0 1 1 1 1 1 2 2 1 3 6 5 3 2 2 4 1 1 1 1 0 2 3 2 1 2 1 2 5 11 2 2 2 10 18 12 5 6 4 1 1 0 23 54 9 16 47 2 3 2 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 0 0 1 1 0 1 2 2 2 6 7 16 8 67 100 72 12 11 8 5 3 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 85 84 d 1H J 35 | 80 80 s 1H | 75 75 s 1H | 72 72 d 1H J 35 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(C(=O)O)ccc(OCc2ccccc2)c1C
ir: 3 2 1 1 3 1 2 3 3 2 6 4 7 9 15 4 6 5 6 17 29 37 94 100 38 13 8 4 6 6 4 2 2 3 5 4 3 10 6 44 37 19 5 1 0 3 1 1 1 2 1 0 1 15 11 4 3 3 2 1 1 2 1 1 3 6 3 4 4 9 5 3 3 5 4 11 49 67 29 8 2 4 3 2 1 1 2 6 6 9 2 1 4 2 1 1 1 4 3 8 1 1 1 1 1 0 1 1 2 1 1 1 1 2 4 3 6 9 3 5 2 2 2 1 1 2 2 2 1 1 1 3 2 2 7 4 6 2 2 4 4 5 16 20 22 12 5 2 2 3 3 3 2 5 10 4 1 0 1 1 5 6 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 1 2 2 3 3 9 4 24 23 34 5 2 2 1 1 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 86 | 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 68 67 d 1H J 88 | 51 50 d 2H J 9 | 29 28 q 2H J 74 | 22 21 s 2H | 13 13 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1(CC(=O)OCC)OCCc2c1[nH]c1c(C)ccc(C#N)c21
ir: 10 28 31 11 2 12 4 15 14 24 18 6 5 3 2 4 1 8 2 4 3 6 67 7 3 6 18 3 6 25 9 42 78 10 5 7 3 4 1 1 2 4 15 5 2 3 2 1 1 6 4 4 6 6 68 48 4 3 2 15 3 4 5 6 6 8 11 12 18 25 6 5 9 9 26 7 2 2 2 1 1 1 2 2 2 1 0 3 1 2 1 1 10 5 2 2 3 2 9 3 38 18 12 7 24 5 15 8 5 26 5 12 11 23 10 14 15 11 10 40 23 19 16 6 7 7 16 20 35 31 93 10 10 4 3 7 6 3 2 2 6 10 3 3 50 6 49 10 3 0 1 4 3 9 0 6 1 8 3 5 1 2 1 0 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 99 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 2 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 0 1 2 2 0 2 6 6 4 4 4 9 7 12 33 5 8 3 7 4 27 56 32 25 50 21 15 8 7 4 2 1 1 2 2 1 1 1 2 2 1 1 1 2 3 2 5 7 9 5 100 64 18 22 5 2 2 9 3 1 1 2 1 0 1 2 2 0 0 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 s 1H | 75 74 d 1H J 81 | 70 70 dq 1H J 10 79 | 42 41 q 2H J 66 | 41 40 ddd 1H J 38 57 112 | 39 39 ddd 1H J 37 56 112 | 35 34 d 1H J 176 | 32 31 d 1H J 174 | 31 30 m 2H | 27 26 d 3H J 10 | 26 25 m 1H | 24 23 dt 1H J 70 138 | 18 17 dh 1H J 73 132 | 17 16 dq 1H J 72 131 | 13 12 t 3H J 66 | 10 10 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCCNC(=O)CSc1nc2ccc(N)cc2s1)CCCc1ccc(Cl)c(Cl)c1
ir: 14 13 8 3 5 4 14 4 5 3 2 3 5 2 3 2 2 2 1 3 3 1 1 1 1 1 1 1 2 2 2 1 1 5 21 5 8 3 3 1 2 4 2 3 5 1 2 2 1 1 2 2 3 6 14 5 1 1 2 1 1 1 1 1 1 2 5 24 3 1 1 1 1 0 1 2 0 1 1 23 5 4 4 1 1 1 2 2 1 4 4 3 3 4 2 2 1 3 3 3 2 1 1 1 0 2 2 7 1 1 2 2 3 2 1 2 3 2 4 1 2 3 3 2 3 5 1 2 1 1 4 1 0 1 1 1 1 3 1 1 1 1 2 5 2 22 18 8 13 3 1 1 3 2 4 9 11 6 1 0 1 1 3 3 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 0 0 0 0 1 1 1 2 1 0 2 2 2 1 1 1 1 1 2 9 6 2 5 10 8 2 1 1 1 0 0 1 0 0 0 1 1 1 1 2 1 16 11 3 2 2 4 8 6 9 3 4 9 100 15 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 d 1H J 76 | 73 73 d 1H J 82 | 71 71 dt 1H J 8 20 | 70 69 m 2H | 69 68 t 1H J 49 | 67 67 dd 1H J 22 75 | 48 47 s 2H | 39 38 s 2H | 32 32 td 2H J 49 56 | 27 27 tt 2H J 9 82 | 26 25 q 4H J 60 | 23 23 s 2H | 19 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1cccc(Oc2ccccc2C)c1O
ir: 11 18 11 18 5 2 0 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 0 1 1 1 1 1 2 3 1 2 2 6 8 4 12 5 2 2 6 5 6 2 1 1 1 1 1 1 1 1 1 1 0 1 0 1 7 3 1 1 1 4 10 13 2 1 2 3 1 1 1 2 2 1 4 14 10 6 5 1 2 6 2 0 1 3 2 1 1 1 2 5 2 1 1 1 6 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 8 28 9 5 5 4 4 1 1 1 1 1 6 3 1 1 0 1 1 0 0 2 2 2 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 1 8 4 2 1 3 3 17 23 23 5 3 2 2 2 4 100 13 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 73 72 td 1H J 12 76 | 71 70 dd 1H J 12 77 | 70 69 m 1H | 69 68 t 1H J 82 | 68 67 dd 1H J 14 81 | 67 66 s 1H | 60 59 ddt 1H J 79 101 168 | 51 50 m 1H | 50 49 m 1H | 33 33 m 2H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.