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Cc1nc2cscc2c(=O)n1-c1ccccc1Cl
ir: 7 2 0 2 4 3 7 13 26 17 3 2 2 1 3 4 3 1 1 2 2 1 1 2 3 8 8 2 4 10 6 2 2 9 3 2 2 8 8 4 3 0 59 28 10 10 44 64 32 2 3 3 3 1 3 8 13 64 5 4 2 1 3 3 1 2 6 10 6 13 15 7 7 3 4 5 2 1 2 10 7 6 9 2 1 1 2 5 6 1 2 2 42 38 3 2 1 1 3 2 0 1 12 11 5 2 1 1 3 46 56 5 2 10 5 10 9 4 4 2 0 2 3 2 5 16 10 3 1 2 4 5 8 10 13 11 13 25 6 11 5 4 15 23 13 3 4 35 39 6 4 1 3 17 71 71 98 87 4 14 3 2 1 1 1 1 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 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 2 2 1 1 2 1 2 3 5 2 1 1 2 2 1 2 4 2 2 3 11 16 24 40 100 45 39 35 34 16 2 4 5 6 5 2 3 2 1 3 2 1 0 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 0; 1HNMR: 82 82 d 1H J 16 | 76 76 dd 1H J 14 75 | 74 74 td 1H J 14 74 | 74 73 dd 1H J 14 83 | 73 73 d 1H J 16 | 72 71 ddd 1H J 15 75 82 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCN1CCCc2cccc(O)c21
ir: 4 5 11 16 10 17 100 29 20 8 13 45 7 18 27 9 6 18 3 3 2 2 2 2 2 2 2 3 2 2 4 2 3 3 2 2 2 3 18 4 4 5 4 11 15 26 19 8 40 5 4 4 9 3 3 2 4 3 3 6 2 3 4 2 12 6 6 9 3 4 2 5 2 3 4 3 5 16 2 4 5 5 12 39 14 9 11 3 4 3 2 7 6 21 10 2 7 8 3 3 4 24 4 5 3 3 4 3 12 10 8 18 21 5 0 9 6 6 8 7 8 3 1 2 4 4 2 3 4 3 2 2 3 3 1 2 3 2 2 15 12 38 10 5 2 2 2 1 2 3 2 2 2 2 2 1 2 3 2 2 2 1 2 2 2 1 2 2 2 2 1 2 1 1 2 1 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 3 4 7 6 4 3 4 3 3 4 4 12 16 10 7 35 15 6 3 2 2 2 4 16 22 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2; 1HNMR: 98 98 s 1H | 69 68 t 1H J 84 | 68 67 m 2H | 34 34 m 2H | 33 33 t 2H J 61 | 29 27 tdd 2H J 8 44 73 | 20 19 m 2H | 17 16 m 2H | 14 13 m 2H | 13 13 m 1H | 13 12 m 6H | 13 12 s 6H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCn1ccc2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)ccnc21
ir: 7 11 9 8 2 5 4 8 2 4 2 2 3 8 4 4 5 4 8 15 9 11 40 37 14 5 3 5 15 18 11 10 4 1 7 1 2 2 3 11 9 1 8 3 3 9 7 3 3 4 10 3 7 17 60 51 3 2 2 1 2 3 5 18 3 4 6 17 10 11 2 1 12 18 61 100 7 9 8 12 29 8 3 2 8 14 3 2 1 3 4 2 2 10 8 2 2 8 16 11 7 10 8 1 5 5 30 10 19 9 19 12 33 23 3 9 17 16 52 24 42 12 12 4 14 26 15 31 8 21 42 13 3 16 10 16 79 33 31 6 8 9 11 46 64 19 6 4 13 1 28 7 5 20 6 2 1 1 3 14 20 1 2 0 1 1 1 0 1 0 1 1 0 0 1 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 1 0 1 1 0 1 1 1 1 0 0 1 1 1 2 1 3 2 4 7 4 9 8 13 5 4 10 9 6 7 8 18 28 80 44 32 56 49 32 20 4 4 2 1 0 1 3 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 48 | 80 79 d 1H J 21 | 78 78 dd 1H J 22 90 | 78 77 d 1H J 48 | 73 73 d 1H J 65 | 73 72 dt 1H J 8 65 | 72 71 d 1H J 88 | 47 45 hept 1H J 55 | 42 41 m 4H | 24 23 t 2H J 83 | 21 20 m 2H | 14 13 d 6H J 57 | 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.
CN(C)CCOC(=O)c1ccc(C(=O)OCCN(C)C)cc1
ir: 9 6 54 15 11 11 6 8 9 21 6 4 3 15 3 12 100 7 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 2 0 1 2 2 2 3 1 2 2 1 2 2 1 1 1 2 2 50 1 1 2 1 1 8 5 9 4 5 6 2 2 9 6 1 1 0 1 1 4 2 1 1 1 2 11 2 8 8 58 14 3 2 8 21 18 4 1 2 2 3 6 6 5 1 1 1 1 0 0 1 1 0 3 1 16 2 7 25 56 0 1 1 2 1 1 2 22 2 2 1 1 3 1 1 1 1 1 0 0 0 1 1 1 2 6 70 64 3 4 1 1 1 15 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 0 1 1 2 5 4 9 12 82 8 6 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 s 4H | 43 43 t 5H J 66 | 26 26 t 4H J 67 | 25 24 s 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)NCCc1ccc(OCC(O)CNC(C)C)nc1
ir: 31 18 11 12 7 24 12 12 21 10 7 7 5 5 7 8 2 5 2 2 6 5 3 4 3 12 25 13 11 10 4 4 6 5 20 12 14 6 4 4 3 4 7 11 24 9 12 13 5 5 8 7 8 36 10 9 3 8 3 1 3 7 3 21 4 4 3 3 2 6 7 11 10 3 3 3 12 5 4 2 3 9 8 2 1 4 9 22 28 11 4 6 2 2 2 2 1 1 5 2 2 3 4 9 11 12 10 5 6 18 29 4 5 15 5 5 8 21 12 10 7 14 16 8 2 4 4 7 4 22 7 4 4 3 4 6 4 54 10 3 3 2 5 20 16 24 20 10 5 51 2 3 3 1 1 2 1 0 1 1 19 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 2 3 2 1 2 3 3 4 5 12 5 7 4 32 3 3 2 3 8 24 100 6 4 2 2 2 2 2 4 3 5 14 24 18 14 14 13 85 28 5 3 1 2 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 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 dt 1H J 10 19 | 74 73 ddt 1H J 8 18 86 | 66 66 d 1H J 86 | 56 56 t 1H J 50 | 46 45 d 1H J 55 | 43 42 dd 1H J 59 139 | 41 40 m 2H | 37 36 s 2H | 34 34 td 2H J 50 57 | 31 30 m 3H | 30 29 ddd 1H J 51 71 130 | 27 27 ddd 1H J 51 70 130 | 16 16 q 1H J 71 | 12 11 dd 6H J 52 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(OC2CCCCO2)CCCN(C(=O)OC(C)(C)C)C1
ir: 15 29 13 7 17 8 12 13 5 27 81 16 14 9 6 13 4 5 5 3 2 2 4 8 4 2 2 3 4 4 2 2 3 3 2 3 2 5 3 3 3 1 2 2 4 0 2 4 7 18 4 3 2 2 2 16 7 16 6 7 4 8 5 4 3 2 3 5 5 2 2 3 6 5 17 9 8 12 21 6 22 3 2 2 2 4 3 3 2 5 4 3 4 3 7 3 2 2 4 2 9 11 11 4 3 3 9 9 7 9 22 12 17 13 7 10 11 11 20 22 25 38 35 34 11 10 3 7 6 10 33 9 5 15 8 6 8 13 7 12 5 4 5 3 5 44 9 1 3 5 9 100 3 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 2 3 3 3 4 3 2 5 6 10 5 4 4 6 6 8 22 41 6 5 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 50 50 t 1H J 37 | 41 41 d 1H J 132 | 39 38 m 2H | 38 38 s 4H | 36 36 dddd 2H J 36 62 77 113 | 35 34 ddd 1H J 37 63 122 | 22 21 ddd 1H J 63 86 139 | 21 17 m 6H | 17 15 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(=O)N(Cc2ccnc(F)c2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21
ir: 17 2 3 3 7 9 7 25 23 10 10 6 1 5 6 6 3 3 3 2 17 5 5 12 12 1 4 9 3 6 2 2 4 5 6 13 3 8 9 17 59 43 12 8 7 4 2 2 1 2 3 1 2 1 12 28 4 4 3 4 6 6 8 6 12 14 10 18 21 14 6 3 5 10 15 0 4 11 7 7 6 6 4 41 13 24 40 18 11 29 13 7 5 6 5 4 1 10 6 13 6 4 7 35 3 3 1 5 7 5 3 2 9 17 4 1 1 4 1 5 15 9 9 7 7 1 3 4 2 1 2 3 2 3 3 24 3 2 3 3 2 3 3 3 14 6 10 6 9 4 26 12 24 6 4 5 1 2 2 7 44 9 6 3 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 4 2 0 1 2 4 3 6 21 38 100 40 31 7 3 2 1 2 2 1 1 1 1 1 0 1 1 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 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 | 83 82 t 1H J 48 | 80 80 dd 1H J 20 90 | 80 79 d 1H J 90 | 73 72 m 3H | 71 70 ddt 1H J 9 19 120 | 70 70 tt 1H J 14 75 | 69 69 m 2H | 58 58 t 2H J 9 | 43 42 dd 1H J 67 100 | 41 40 dd 1H J 67 100 | 40 39 ttd 1H J 9 67 79 | 36 35 dt 1H J 90 115 | 35 34 dtd 1H J 9 90 117 | 23 22 m 1H | 21 19 dtd 1H J 80 91 106
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1ccc(Nc2cc(NC(=O)Nc3c(F)cccc3F)ncn2)cc1
ir: 2 4 4 7 6 4 2 5 6 5 2 8 2 3 5 3 5 4 3 11 4 9 9 8 5 3 2 2 3 2 3 3 4 4 13 31 20 9 4 7 14 51 34 17 5 4 6 12 7 4 3 2 3 3 12 21 24 11 6 5 3 1 4 7 5 28 23 9 3 4 5 1 2 3 2 3 5 3 2 2 2 4 4 2 5 3 4 17 16 4 2 2 2 2 36 4 4 5 7 7 3 3 18 3 3 17 8 2 2 2 4 3 3 3 3 2 2 2 2 2 2 2 1 2 2 3 2 2 2 2 3 3 2 5 4 4 3 2 5 6 11 2 2 8 8 4 4 4 8 11 34 35 39 13 7 2 2 4 2 0 6 53 30 8 7 14 5 4 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 2 2 2 3 3 3 13 6 10 31 26 7 5 4 3 2 2 2 3 3 3 2 2 2 2 2 2 4 5 5 9 8 12 65 100 27 5 4 3 4 3 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 96 s 1H | 90 89 s 1H | 87 87 t 1H J 43 | 82 82 d 1H J 14 | 74 73 m 2H | 73 72 m 1H | 71 70 m 2H | 68 67 m 2H | 57 56 d 1H J 14 | 33 32 q 4H J 70 | 12 12 t 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cnc2cnc(Cl)cc12
ir: 27 28 30 29 34 36 32 28 27 28 29 28 26 29 30 38 44 29 30 28 28 28 29 28 27 29 29 30 39 31 29 27 28 29 29 34 34 31 31 27 28 30 29 27 30 30 28 27 28 34 57 83 40 29 29 36 36 30 28 27 28 29 28 27 28 35 45 44 31 29 28 27 28 29 28 27 28 29 28 27 29 29 28 28 29 29 27 28 29 29 27 28 29 29 27 28 29 48 47 28 31 30 27 28 29 29 27 28 29 28 27 28 29 28 27 28 29 28 28 29 29 28 27 28 33 33 28 28 30 30 30 59 100 35 27 29 29 28 28 29 29 28 28 29 30 36 34 29 30 29 29 29 29 29 28 28 28 31 29 0 43 27 28 31 29 26 28 30 28 26 28 30 28 26 28 30 28 27 28 30 28 27 28 29 28 27 28 29 28 27 29 29 27 27 29 29 27 27 29 29 27 27 29 29 27 27 29 29 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 29 29 27 27 29 29 27 27 29 29 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 29 27 28 29 28 29 35 34 28 27 28 29 28 27 28 29 28 27 29 29 28 27 29 30 28 27 29 30 31 32 31 29 32 33 29 28 28 28 29 28 28 28 29 28 27 28 29 29 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 28 28 28 28 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29; 1HNMR: 88 88 s 1H | 81 81 d 1H J 70 | 79 79 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCC1CCN(CCOCc2ccccc2)CC1
ir: 7 4 4 7 7 4 4 7 8 2 1 1 1 0 2 2 1 0 0 1 1 1 1 1 1 4 1 1 1 4 4 4 2 1 1 1 1 2 7 48 34 3 3 2 2 1 2 2 1 0 1 1 1 1 1 8 2 1 2 3 2 1 2 14 2 1 5 5 9 2 2 4 10 1 2 1 2 1 7 1 2 7 34 5 18 7 2 1 3 3 2 1 1 1 2 2 1 4 3 9 6 5 3 2 4 3 7 5 1 4 2 1 1 2 4 2 7 4 3 5 5 11 5 6 2 4 3 4 5 5 7 2 5 3 6 39 10 4 4 2 2 7 21 26 84 7 13 4 2 1 1 8 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 4 2 3 3 2 2 1 4 3 9 8 8 13 100 16 4 2 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 45 44 d 2H J 8 | 37 36 s 2H | 36 35 t 2H J 59 | 29 28 ddd 2H J 56 82 121 | 27 26 m 4H | 24 23 t 2H J 88 | 18 17 ddt 2H J 55 82 123 | 16 14 m 5H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nc(CN(Cc2ccccc2)Cc2ccccc2)nc2ccccc12
ir: 8 3 3 3 5 5 3 4 5 6 5 4 3 6 7 2 3 2 5 6 4 5 2 2 7 9 11 26 45 10 9 16 24 3 3 9 8 10 51 100 39 18 16 7 12 14 20 53 29 16 8 8 9 6 4 1 6 10 6 4 4 15 15 2 3 3 5 20 15 7 4 4 2 5 3 12 7 4 13 11 7 11 22 21 24 20 5 2 5 7 4 3 2 2 3 5 6 10 6 5 10 8 7 4 6 2 2 2 2 2 3 3 2 2 6 6 13 7 5 6 4 5 3 3 3 3 4 4 4 5 8 12 9 6 23 33 19 19 3 6 5 37 66 49 19 11 9 19 39 3 6 63 67 0 2 5 5 3 3 3 2 1 2 4 23 1 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 2 3 3 3 1 2 4 6 13 19 21 25 67 51 64 21 4 5 3 4 3 2 2 2 2 2 2 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 dd 1H J 13 94 | 81 80 dd 1H J 13 74 | 78 78 td 1H J 13 72 | 77 76 ddd 1H J 14 69 95 | 73 72 m 4H | 73 73 s 6H | 43 42 s 2H | 38 38 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1
ir: 3 3 5 3 9 15 5 5 3 11 11 12 7 3 6 5 2 2 3 2 3 2 2 2 1 2 1 1 1 2 3 3 1 3 2 1 6 2 1 1 1 2 6 1 1 1 2 2 1 3 3 2 2 3 15 18 6 17 4 3 3 4 5 8 8 7 25 6 2 22 3 11 3 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 6 1 5 2 6 5 2 2 2 2 2 1 2 2 3 3 3 2 1 2 2 2 1 2 2 5 7 12 9 25 22 19 21 11 11 6 4 4 2 4 1 11 6 7 3 2 2 2 11 16 4 1 1 3 3 1 2 4 32 4 2 7 13 100 25 2 2 7 2 0 1 2 1 0 2 4 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 3 2 3 2 3 4 2 3 6 17 39 21 15 36 11 5 8 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 m 2H | 69 68 m 2H | 63 62 tt 1H J 9 35 | 41 40 dt 2H J 10 35 | 38 38 s 3H | 38 37 m 2H | 31 30 dddd 2H J 9 19 42 60 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)CF
ir: 1 2 4 2 0 1 2 5 4 4 3 2 3 2 2 4 13 7 5 1 2 1 3 3 4 8 3 5 9 10 30 16 15 8 10 8 13 30 56 7 15 14 19 14 6 2 8 5 5 3 2 3 4 2 3 3 2 6 17 9 2 1 1 4 3 3 10 4 1 0 1 2 1 1 1 3 2 8 5 2 1 1 4 0 1 0 0 0 0 0 0 1 1 1 1 2 2 2 1 1 1 2 1 2 5 33 5 12 5 9 6 6 15 10 2 9 6 8 15 7 16 16 7 16 11 17 10 5 8 5 3 2 1 2 1 5 3 1 2 4 4 11 24 39 100 96 31 20 23 7 6 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 3 3 2 2 7 5 6 4 3 4 7 6 9 16 22 7 3 3 3 1 1 1 0 1 0 0 0 0 0 0 1 1 1 1 1 3 3 8 2 10 12 48 57 30 8 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 77 | 75 74 d 1H J 80 | 52 51 m 1H | 43 42 m 2H | 23 22 m 2H | 18 16 m 2H | 17 15 m 4H | 15 14 m 1H | 14 13 m 1H | 13 13 m 3H | 13 12 m 5H | 9 9 m 3H | 9 9 m 6H | 9 8 m 4H | 8 7 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCN1C(=O)C(O)(c2cc(Cl)ccc2Cl)c2c1cc(I)cc2C(F)(F)F
ir: 5 6 6 6 0 8 23 2 6 4 4 4 8 2 3 2 4 3 1 1 2 1 2 2 1 1 1 1 2 5 1 1 1 10 4 3 2 1 3 5 3 4 2 1 7 3 2 2 3 2 2 1 2 27 9 2 4 3 2 4 5 3 2 1 13 41 36 31 5 2 4 3 6 7 14 3 3 3 3 20 24 16 12 8 30 22 12 9 25 5 1 6 69 10 1 14 14 12 20 12 2 6 5 4 4 3 4 10 25 4 3 2 3 2 2 4 10 4 15 6 14 4 3 2 5 2 4 4 1 3 2 6 5 2 3 2 2 3 4 2 1 7 2 1 0 1 2 5 4 47 0 3 2 10 2 2 5 2 1 3 7 3 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 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 3 1 1 1 4 2 1 4 3 2 1 6 14 22 35 19 24 9 5 5 2 11 100 46 3 2 2 2 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1; 1HNMR: 79 79 dq 1H J 9 19 | 79 79 d 1H J 22 | 75 74 m 2H | 73 73 dd 1H J 22 68 | 44 43 dt 1H J 60 119 | 43 42 s 1H | 42 42 dt 1H J 60 119 | 30 29 t 2H J 59 | 26 26 q 4H J 69 | 11 11 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)NC1c1ccc(C#N)cc1
ir: 1 3 4 3 2 2 3 2 1 3 2 2 1 3 2 1 6 2 3 3 3 8 13 8 4 4 8 3 15 39 26 16 7 8 4 4 3 2 6 6 2 2 2 2 5 7 4 0 10 25 6 2 2 2 2 3 7 2 2 2 2 2 2 2 2 2 2 7 6 7 5 2 2 2 3 1 2 2 1 4 7 2 2 3 4 8 3 3 4 2 2 2 2 4 9 4 2 2 5 4 13 3 2 4 2 2 1 1 2 2 3 9 18 4 2 2 5 3 5 6 5 7 4 6 10 7 11 4 5 4 2 2 2 2 1 3 6 11 6 3 9 14 9 22 13 24 26 12 6 3 3 2 3 4 2 4 2 8 6 6 3 1 5 2 2 1 2 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 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 1 1 1 2 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 2 2 2 1 1 2 1 2 2 2 2 3 1 3 2 6 3 7 100 16 6 3 4 3 3 1 1 2 2 1 1 2 2 2 2 2 2 2 2 3 6 15 25 21 12 9 3 5 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 80 d 1H J 57 | 78 78 t 1H J 21 | 77 76 m 2H | 75 75 dd 1H J 71 107 | 75 74 m 2H | 74 73 ddd 1H J 13 22 107 | 73 73 ddd 1H J 12 21 70 | 71 71 q 1H J 55 | 62 62 dq 1H J 10 55 | 29 28 d 3H J 53 | 24 23 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1
ir: 8 21 13 6 0 8 5 13 5 4 12 5 3 5 6 6 4 8 36 3 3 2 3 9 2 19 43 7 10 5 30 64 21 9 7 5 5 4 5 1 3 8 5 5 49 44 37 20 11 9 6 7 18 9 10 8 7 15 19 8 3 2 2 2 9 17 3 3 5 2 3 1 2 3 3 1 2 8 4 5 2 2 4 4 3 11 14 14 20 14 23 2 5 3 2 4 7 5 3 6 3 4 2 12 33 24 13 4 1 3 1 2 4 37 1 7 2 3 4 4 8 5 9 4 11 10 6 27 9 3 2 4 6 5 7 7 5 2 16 30 6 4 5 11 75 25 16 26 12 7 100 41 10 3 3 1 2 2 1 1 1 10 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 2 2 5 2 1 2 2 2 2 3 2 2 2 3 9 17 10 7 20 7 7 2 2 3 3 7 11 2 2 1 1 2 1 1 1 2 2 2 3 6 4 34 34 29 5 11 8 8 5 3 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 s 1H | 85 84 t 1H J 56 | 80 80 s 1H | 74 73 ddt 2H J 8 35 78 | 72 71 m 2H | 46 45 dt 2H J 8 56 | 34 34 s 3H | 26 26 s 3H | 17 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=S)Cc1ccccn1
ir: 1 1 3 2 1 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 3 6 7 7 11 11 11 6 3 3 2 2 4 3 2 6 2 2 3 5 2 7 2 0 1 2 1 0 1 2 1 0 1 9 4 7 4 2 1 1 1 2 1 2 1 2 1 1 3 4 5 2 2 2 1 0 1 2 1 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 3 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 2 4 2 2 1 2 2 2 1 1 1 1 1 2 2 6 10 10 1 0 2 2 0 0 2 2 0 1 2 2 1 1 2 5 1 2 5 16 15 9 37 1 2 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 1 1 0 1 1 1 1 1 1 1 1 1 2 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 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 2 2 1 2 3 1 0 1 2 2 0 1 3 11 12 7 3 1 1 1 2 1 1 1 2 1 0 1 2 1 11 3 4 5 1 2 2 0 0 2 3 1 1 29 100 91 36 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 dd 1H J 17 42 | 81 80 s 2H | 77 76 td 1H J 17 74 | 73 73 m 2H | 39 39 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(C)C(S)C(=O)N1CCC[C@H]1C(=O)O
ir: 1 3 3 4 5 3 2 2 3 2 5 2 7 14 20 15 7 5 2 11 16 75 10 4 3 3 3 3 7 7 10 12 14 7 4 2 2 3 2 2 2 6 7 4 5 5 6 18 2 3 4 5 2 3 3 11 4 3 2 2 2 3 4 2 4 8 2 2 3 5 3 3 3 3 5 4 3 12 100 30 3 5 5 5 2 2 7 2 3 4 2 5 2 3 2 3 3 7 6 8 2 3 3 2 4 3 4 5 5 12 5 3 3 8 4 3 3 4 3 2 7 7 5 4 4 3 2 2 3 2 2 3 5 10 5 2 3 4 2 2 2 2 2 4 9 28 8 24 3 2 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 3 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 2 1 2 2 2 2 1 2 2 2 2 1 2 2 2 2 6 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 3 1 2 2 3 3 4 2 3 3 5 4 6 9 10 3 3 2 2 1 2 2 2 0 3 5 17 87 23 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 2 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: 43 43 ddq 1H J 19 39 57 | 40 39 pq 1H J 16 60 | 37 36 m 2H | 36 35 m 1H | 33 32 d 3H J 15 | 25 24 d 1H J 73 | 22 21 m 1H | 21 20 dddt 1H J 36 53 70 145 | 20 19 m 2H | 13 13 dd 3H J 16 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(C(=O)O)N1CC(N)C1=O
ir: 0 1 2 1 1 1 2 3 2 2 2 4 6 5 16 7 7 11 8 24 45 38 15 4 7 5 6 3 2 1 2 5 5 4 6 4 2 1 2 1 3 2 2 1 1 2 1 3 8 2 9 14 3 3 2 3 2 1 3 8 100 59 54 7 3 21 46 4 3 3 3 6 5 5 5 2 12 22 18 67 8 4 11 15 8 12 3 1 3 3 1 2 3 3 22 15 5 3 1 2 2 1 2 2 2 2 8 5 5 4 2 3 5 2 1 1 2 2 1 3 3 6 3 8 15 4 5 9 17 22 10 11 7 13 1 4 2 9 5 4 2 0 1 4 18 11 2 2 2 0 35 14 3 1 1 2 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 0 1 1 0 1 2 2 1 1 2 1 1 1 4 5 3 4 6 3 2 4 2 2 1 1 2 1 0 1 2 1 1 31 52 2 5 6 5 22 36 15 8 3 3 2 18 12 2 2 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 43 42 ddq 1H J 15 29 72 | 40 40 tt 1H J 30 50 | 38 37 dd 1H J 30 114 | 37 36 d 2H J 51 | 35 35 dd 1H J 30 114 | 21 20 dq 1H J 72 144 | 10 10 dd 3H J 16 72 | 10 9 dd 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)CCC1=CCC(C)(C)CC1
ir: 13 8 5 9 11 6 7 4 3 5 5 7 13 5 8 2 2 2 3 6 10 5 4 2 21 2 2 1 3 2 2 1 1 1 1 1 2 1 2 2 2 2 3 5 6 5 4 3 6 10 2 1 2 3 3 3 6 5 3 4 3 5 5 12 5 7 5 7 11 37 22 4 12 3 6 2 1 1 1 1 1 1 1 1 1 1 2 5 8 16 3 4 3 4 6 3 5 9 11 13 14 5 3 2 3 1 1 3 5 8 9 11 30 8 14 32 14 19 16 15 29 28 21 16 10 8 6 8 7 17 14 14 13 14 3 3 4 2 1 3 5 5 8 85 100 9 7 3 1 2 2 0 0 2 1 0 7 5 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 2 5 5 4 6 13 12 8 5 7 1 6 23 13 31 62 13 18 15 5 3 3 3 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 54 54 tp 1H J 11 46 | 41 41 t 2H J 65 | 25 24 m 2H | 24 23 dddt 2H J 11 21 78 87 | 21 20 tq 2H J 10 64 | 18 18 dp 2H J 11 47 | 17 16 p 2H J 68 | 15 13 m 4H | 10 9 t 3H J 70 | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2ccccc2c(-c2ccccc2)nn1CCc1ccccc1
ir: 5 1 5 1 2 2 1 1 3 2 1 7 0 1 1 0 0 1 1 0 0 2 1 0 2 17 25 26 11 10 5 12 20 3 3 3 3 5 3 12 34 12 100 18 2 5 3 1 8 2 1 0 0 1 1 0 0 1 1 0 2 2 2 4 1 1 1 1 5 9 1 3 2 1 3 2 2 3 5 2 1 1 1 2 1 1 1 1 1 18 1 2 1 1 1 1 1 6 1 1 1 1 1 1 1 1 1 1 2 5 1 2 8 6 2 1 1 1 4 4 3 16 15 1 4 4 4 3 5 19 6 4 3 6 25 10 9 5 5 8 58 15 7 25 4 3 2 4 5 6 1 4 1 1 2 2 2 19 1 1 1 2 1 1 1 0 1 1 0 0 0 1 0 0 0 0 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 2 1 2 2 1 6 7 13 22 93 29 24 8 4 3 3 1 1 2 2 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 dd 1H J 16 82 | 78 78 dd 1H J 16 73 | 78 78 td 1H J 16 80 | 77 76 m 1H | 76 76 m 2H | 75 74 m 3H | 73 73 m 2H | 73 72 m 3H | 43 42 t 2H J 63 | 31 30 tt 2H J 10 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2c[nH]c(=O)c(C#N)c2)c1
ir: 0 4 7 4 3 5 7 4 1 21 18 4 2 5 6 3 2 6 23 4 2 4 11 3 2 5 6 6 3 5 6 10 5 6 5 1 3 6 6 13 4 6 5 2 6 15 12 25 27 95 7 8 4 6 4 2 4 6 10 1 4 7 3 1 6 6 5 4 10 8 3 14 20 22 13 10 6 7 4 3 7 6 3 16 5 5 2 3 8 4 2 2 8 5 2 3 5 4 2 6 5 4 2 3 6 4 1 3 6 4 3 6 6 4 2 4 6 4 3 6 8 4 10 8 8 5 3 6 7 5 3 5 5 3 2 5 5 4 24 20 30 8 3 5 5 7 5 5 5 12 100 12 9 2 5 8 11 3 3 7 6 1 4 8 9 10 3 5 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 2 4 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 3 5 8 13 28 19 22 19 22 7 6 4 2 4 5 3 2 4 5 3 4 5 11 5 3 5 5 8 30 85 15 6 7 5 9 3 3 4 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 5 3 2 3 5 3 2 3 5; 1HNMR: 81 81 d 1H J 13 | 78 78 dd 1H J 14 67 | 74 74 ddd 1H J 11 21 79 | 73 73 t 1H J 78 | 72 72 t 1H J 22 | 71 71 ddt 1H J 10 20 77 | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(Br)c1noc2ccccc12
ir: 3 2 0 1 2 1 1 2 3 12 9 3 13 13 5 3 6 4 5 12 25 100 57 12 9 5 4 3 2 1 1 2 2 5 7 5 2 1 2 2 3 21 31 25 4 1 1 2 1 2 1 2 2 1 2 6 2 1 2 2 2 1 1 2 1 1 1 5 5 2 2 3 2 13 4 4 5 7 30 30 28 3 4 5 3 4 5 7 2 3 11 10 2 1 3 3 0 1 2 2 1 2 3 2 0 1 2 1 0 1 3 2 1 6 2 10 10 10 3 1 1 2 2 1 1 2 9 7 2 4 3 2 0 2 2 1 1 3 18 11 8 10 32 34 13 4 2 3 1 2 16 1 1 2 1 1 1 2 1 3 6 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 4 5 4 4 4 2 10 14 32 5 3 2 2 1 1 3 25 19 3 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 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 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; 1HNMR: 80 79 dd 1H J 14 103 | 75 75 dd 1H J 14 76 | 74 74 ddd 1H J 13 77 89 | 73 72 ddd 1H J 14 88 101 | 56 56 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)cnc2[nH]c1=O
ir: 0 2 2 1 3 5 5 1 3 4 4 1 2 2 2 1 1 4 3 5 5 9 9 16 17 6 18 24 3 28 17 3 3 3 5 4 19 11 4 5 2 2 6 5 42 6 1 4 3 10 11 1 1 1 0 1 1 1 2 3 1 9 14 6 1 2 5 2 4 1 1 1 1 2 1 0 1 4 0 0 0 1 1 1 1 1 6 9 2 1 2 1 2 6 5 2 5 5 2 1 2 1 1 1 2 2 3 4 3 6 1 2 7 4 1 2 3 12 2 4 9 10 6 3 4 16 1 4 3 2 3 2 17 8 2 1 2 2 6 4 1 0 1 2 4 6 7 16 24 20 33 32 10 86 100 7 18 5 1 1 1 1 1 6 20 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 1 1 1 2 1 2 2 5 2 1 2 11 21 6 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 6 8 33 58 79 32 19 12 2 4 3 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 16 | 80 80 d 1H J 12 | 78 78 d 1H J 17 | 75 75 d 1H J 81 | 72 71 d 1H J 79 | 69 68 d 1H J 81 | 45 44 dqd 1H J 11 60 80 | 34 34 s 3H | 14 14 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1CCCC[C@H]1O)c1cnc(OCC(F)(F)F)c(-c2ccc(C(F)(F)F)cc2)c1
ir: 1 5 4 3 5 7 6 6 6 7 5 5 10 5 14 8 13 9 10 13 8 13 10 12 5 9 2 2 2 2 2 2 4 1 3 3 3 6 4 8 61 51 14 5 2 4 2 1 2 2 2 3 3 3 11 13 19 6 2 2 2 1 1 2 1 4 3 4 4 5 4 1 2 2 8 3 3 1 2 3 2 3 2 2 2 9 11 3 5 6 6 7 9 20 10 30 29 7 32 23 14 4 10 7 17 17 8 9 2 3 4 7 13 9 3 12 0 2 4 7 5 6 3 11 7 17 8 6 6 5 5 7 16 84 11 3 2 1 1 1 2 1 1 9 17 47 33 18 2 6 5 3 5 2 2 6 24 4 1 1 5 8 2 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 2 2 3 2 3 5 15 12 7 9 26 10 6 9 15 100 26 11 2 3 3 1 2 1 1 2 2 2 1 2 1 1 2 12 22 14 7 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 18 | 85 85 d 1H J 16 | 78 77 m 2H | 77 76 dq 2H J 13 110 | 75 74 d 1H J 90 | 50 49 q 2H J 130 | 39 39 dtd 1H J 33 59 66 | 38 37 m 1H | 31 31 d 1H J 57 | 20 19 m 1H | 19 15 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(N)nc(N)c1I
ir: 13 12 5 8 3 8 12 6 10 3 3 5 4 19 17 9 3 7 6 7 6 4 5 14 14 9 12 4 3 4 6 5 5 3 3 4 2 3 5 34 49 32 14 42 33 6 6 6 6 5 10 9 5 6 4 3 3 4 3 1 2 4 2 2 1 2 2 2 2 5 3 3 2 3 1 1 2 3 1 1 2 2 2 26 3 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 2 1 0 1 1 2 2 1 4 2 3 4 11 6 0 1 2 2 2 2 2 1 1 3 2 1 1 3 5 3 3 5 6 6 22 35 19 12 6 42 58 75 10 30 65 25 11 3 1 4 3 1 2 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 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 0 1 0 0 0 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 2 4 3 1 1 1 2 1 1 1 2 2 1 3 2 2 2 2 3 2 2 4 5 86 48 10 4 2 2 3 2 1 2 3 2 27 100 3 4 2 0 0 2 1 0 0 2 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 57 57 s 2H | 53 53 s 2H | 27 27 q 2H J 71 | 14 13 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1Cc2cc(C(F)(F)F)ccc2N(Cc2ccccc2)C1
ir: 16 13 20 11 6 10 18 4 9 9 6 2 3 4 4 2 1 3 5 4 7 5 6 4 2 3 3 3 4 7 9 10 12 8 3 3 8 7 11 27 59 15 11 1 8 6 4 2 2 4 4 4 7 15 51 11 9 8 3 2 3 5 4 20 5 9 21 9 11 10 3 2 5 13 5 20 7 6 4 1 4 7 7 5 4 6 2 2 8 14 9 10 57 6 9 9 9 26 33 31 20 8 0 5 7 5 11 15 6 4 2 7 14 58 2 28 20 13 6 5 9 11 5 5 11 11 4 17 9 17 10 7 8 4 7 10 7 4 3 5 4 2 18 30 61 28 22 20 4 2 4 4 11 2 5 17 3 1 1 3 2 0 2 14 4 0 2 3 2 0 2 4 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 2 4 4 3 3 4 5 3 4 5 4 5 8 8 10 14 18 27 18 100 30 17 8 5 5 5 2 1 3 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3; 1HNMR: 76 75 m 1H | 73 72 m 6H | 70 69 d 1H J 68 | 45 44 m 2H | 42 41 m 2H | 40 39 m 1H | 37 37 m 1H | 32 31 ddd 1H J 9 86 136 | 30 29 m 2H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCC(OC(C)=O)C(=O)O
ir: 1 1 0 1 0 0 1 1 3 3 3 8 6 6 4 10 3 10 13 3 89 91 100 7 5 16 19 12 0 2 2 1 2 2 1 0 1 1 5 3 3 3 1 0 1 1 1 1 1 4 2 2 4 1 2 1 2 1 1 0 2 2 1 1 1 1 2 3 3 8 5 3 4 4 1 1 6 8 41 11 7 2 3 1 2 7 12 7 3 2 1 1 1 1 2 6 4 3 2 3 6 7 4 3 0 7 32 11 7 6 3 3 3 3 1 2 2 5 4 5 13 5 7 13 23 5 6 4 4 0 1 1 1 1 0 1 1 1 2 4 2 4 4 26 22 30 4 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 2 6 8 6 5 2 2 4 5 5 11 20 24 28 4 2 1 1 1 1 1 1 1 0 4 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H | 50 49 t 1H J 61 | 21 21 s 2H | 21 20 dtd 1H J 61 89 140 | 18 17 dtd 1H J 62 90 141 | 15 13 m 2H | 14 13 m 3H | 13 12 m 20H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)C/C=C/CCOS(C)(=O)=O
ir: 6 8 11 12 13 7 7 8 5 7 4 4 2 2 3 5 3 3 2 2 1 1 1 2 1 2 8 7 3 10 17 6 4 11 10 4 4 10 13 4 5 8 26 16 39 15 7 10 9 11 6 3 3 6 4 2 3 10 2 2 3 4 2 2 3 5 5 1 3 4 4 17 26 17 9 20 16 2 3 2 2 2 0 1 4 8 24 17 13 19 4 2 5 4 15 3 4 5 8 13 19 6 10 22 4 2 2 1 1 2 4 1 2 1 1 2 3 8 5 13 5 5 6 5 3 3 6 4 4 6 9 6 2 2 2 3 8 5 12 3 4 3 4 18 28 13 41 8 42 33 77 24 20 3 2 5 41 2 1 2 5 5 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 2 2 2 2 2 3 3 2 1 2 2 2 4 45 24 19 13 38 31 8 3 1 2 2 2 0 2 2 2 1 1 2 1 0 1 2 1 2 6 8 12 25 100 10 8 5 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 0 0 1 1 0 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: 97 97 s 1H | 77 76 m 2H | 75 74 s 1H | 73 72 m 2H | 57 56 m 2H | 42 41 td 2H J 7 67 | 32 31 ddt 2H J 10 20 55 | 30 30 s 3H | 24 23 ddddt 2H J 10 20 52 59 68 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)nc(N[C@@H](C)c2ccc(F)cc2)c1
ir: 2 2 5 3 3 3 2 1 1 2 3 3 2 3 11 20 22 5 8 3 2 3 1 1 1 1 1 2 1 1 1 2 21 5 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 14 5 3 3 1 1 2 4 10 3 3 2 4 2 4 2 3 13 8 6 1 1 1 1 1 3 2 2 1 1 1 1 1 1 2 1 1 1 1 3 3 3 4 6 3 3 7 2 2 1 1 1 2 2 1 1 14 5 1 1 1 1 1 1 1 3 4 1 2 2 3 6 7 8 3 5 3 2 1 1 2 1 0 2 5 18 58 18 8 18 23 2 3 22 7 9 2 1 6 14 10 1 1 1 1 1 100 9 3 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 3 2 1 5 6 5 17 50 7 5 3 2 2 4 2 2 1 1 1 1 1 1 1 1 1 1 2 4 5 4 16 30 28 20 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 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: 73 72 m 2H | 71 71 m 3H | 66 66 d 1H J 25 | 58 58 d 1H J 75 | 47 47 m 1H | 24 24 s 3H | 16 15 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CO1
ir: 8 4 23 27 27 16 12 8 10 10 12 4 5 3 2 3 4 2 1 3 4 2 2 5 11 8 8 9 4 7 3 11 10 7 4 10 56 8 7 12 14 13 2 4 4 2 4 10 5 3 5 5 4 2 4 5 3 1 4 8 4 1 5 8 10 9 9 7 4 3 4 7 7 20 21 21 40 9 9 5 3 4 4 3 2 2 4 7 6 6 21 9 11 34 12 6 1 4 4 4 1 2 8 7 6 10 9 18 15 35 23 16 14 6 15 4 2 4 4 4 2 3 4 3 2 3 4 2 2 3 4 3 2 5 11 43 17 19 100 41 31 27 7 29 29 88 38 23 51 83 24 92 60 25 12 9 9 12 5 5 4 6 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 1 2 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 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 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 2 3 3 1 2 3 4 2 2 4 3 1 2 5 3 3 4 11 11 15 13 20 16 12 13 21 16 11 19 7 6 4 3 4 3 2 3 3 2 2 3 3 2 1 2 3 2 1 3 3 1 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 42 41 t 1H J 27 | 37 37 s 3H | 35 34 dd 1H J 27 77 | 32 32 dd 1H J 27 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1c(C)nc2c(-c3c(C)cc(C)cc3C)c(C)nn2c1Cl
ir: 10 12 9 3 4 20 2 6 4 12 3 2 8 1 3 5 20 4 5 7 2 6 6 6 2 1 5 2 2 3 26 9 4 2 2 8 2 1 1 4 2 2 1 0 1 8 1 1 1 2 2 1 1 0 1 1 4 2 2 3 5 9 5 6 4 5 7 2 6 3 12 8 9 4 18 4 1 2 1 1 1 0 1 1 1 4 1 1 0 0 2 4 7 1 2 3 4 6 7 10 9 3 2 2 2 1 8 10 2 3 5 6 1 2 5 5 4 24 10 8 4 8 14 4 1 15 3 5 27 14 3 17 14 8 19 24 8 11 45 9 2 3 2 20 20 5 18 12 12 2 2 1 5 100 2 2 39 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 7 3 2 2 1 5 6 6 4 11 6 6 10 10 23 10 9 37 8 6 3 3 2 3 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 0 0 0 0 0 0 0 0 0 0 0 0 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: 71 70 s 2H | 42 41 q 2H J 66 | 38 38 s 2H | 26 26 s 6H | 26 25 s 3H | 24 24 s 3H | 24 24 s 3H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1
ir: 2 6 10 5 4 5 2 6 5 4 9 4 2 2 2 2 4 4 2 5 2 5 4 2 2 3 3 2 3 4 2 1 4 11 31 49 10 12 18 24 32 21 5 3 3 6 23 8 3 2 2 3 5 4 26 54 15 6 2 3 1 0 1 2 1 4 2 5 19 14 1 2 1 1 2 2 1 2 4 6 1 1 2 2 2 2 3 5 7 18 10 4 7 13 9 3 7 4 11 2 2 2 1 3 5 2 1 2 2 2 6 4 1 2 2 1 3 4 14 3 4 2 2 5 6 7 6 5 5 2 2 3 5 4 10 28 14 38 5 2 2 2 15 12 11 3 100 3 6 11 4 3 14 2 2 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 1 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 1 1 0 0 0 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 2 3 3 3 3 2 2 2 5 24 39 47 51 47 19 15 5 3 3 2 1 2 1 1 1 1 1 0 1 0 1 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 t 1H J 15 | 74 72 m 9H | 72 72 dd 1H J 17 50 | 68 67 dd 1H J 13 49 | 54 54 d 2H J 9 | 44 43 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCN(Cc1ccccc1)c1nc(SC)nc(Cl)c1C(=O)OCC
ir: 9 3 2 4 7 4 4 3 10 2 2 2 1 2 1 1 3 2 3 2 4 6 6 3 4 2 2 2 2 7 1 4 13 3 2 3 2 3 23 9 100 97 5 4 3 3 2 1 1 2 1 1 2 1 4 4 2 3 2 4 2 2 3 2 2 2 1 5 6 3 2 2 4 3 4 2 5 13 6 6 2 2 1 2 4 4 20 10 4 21 2 2 2 2 2 3 5 10 10 10 19 4 2 2 2 1 1 1 3 4 4 6 12 15 6 3 5 5 5 3 4 12 6 4 6 3 5 3 5 3 2 1 2 3 6 16 3 5 5 4 18 26 14 24 35 21 11 7 30 71 26 67 30 4 4 2 2 1 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 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 3 1 2 2 3 2 1 2 2 4 3 4 9 20 12 39 12 7 3 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 3H | 73 72 s 2H | 47 47 s 2H | 44 43 q 2H J 64 | 42 41 q 2H J 66 | 38 38 t 2H J 75 | 28 27 t 2H J 75 | 26 25 s 2H | 14 14 t 3H J 64 | 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.
O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)N1CCOCC1
ir: 7 11 4 5 4 4 7 6 3 7 9 12 4 6 5 3 1 9 17 6 5 4 2 4 1 3 4 3 3 4 4 3 5 3 9 6 10 15 17 18 31 55 24 17 11 19 12 18 15 12 15 24 19 44 42 41 36 11 15 31 7 8 3 1 9 4 17 22 18 28 5 11 13 22 8 7 8 3 3 3 2 2 4 2 5 8 28 42 50 8 5 3 4 4 8 8 6 2 3 2 2 2 0 3 3 4 19 15 8 10 30 23 15 25 35 8 9 8 4 4 7 10 12 6 10 8 8 11 17 3 3 3 4 6 10 23 1 3 1 3 3 1 3 4 10 16 12 100 76 20 12 33 83 19 7 4 3 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 2 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 1 2 2 1 1 4 7 3 4 2 3 1 4 7 5 4 20 16 27 39 20 5 14 7 7 25 59 78 45 4 5 3 3 9 6 2 6 16 61 85 27 14 21 13 21 14 12 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0; 1HNMR: 69 68 m 4H | 63 62 t 1H J 56 | 42 41 dp 1H J 50 60 | 41 40 m 3H | 40 39 d 1H J 58 | 39 38 dd 1H J 50 127 | 38 37 t 2H J 53 | 38 37 tt 1H J 51 62 | 37 36 dd 4H J 44 51 | 34 34 dt 2H J 47 55 | 34 33 dd 4H J 44 52 | 32 31 d 2H J 46 | 31 30 ddd 1H J 49 62 132 | 30 29 qd 2H J 21 48 | 28 28 ddd 1H J 49 62 132 | 12 11 pt 1H J 45 63 | 5 4 m 2H | 2 1 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCS(C)=O)c1=O
ir: 2 2 4 2 3 4 2 3 3 5 5 5 5 3 4 4 3 2 6 3 6 5 5 7 15 7 6 11 2 3 2 3 2 3 3 2 4 5 4 12 13 2 3 3 3 2 2 3 4 17 10 5 3 10 7 12 17 5 5 3 2 1 2 3 2 1 3 4 7 9 4 3 2 2 2 3 2 3 12 3 2 2 3 2 2 4 4 7 6 5 9 8 10 4 6 10 4 4 4 6 4 3 2 2 3 4 6 3 9 8 3 2 2 2 4 3 1 3 6 4 3 2 3 5 2 3 4 4 3 4 6 3 2 3 3 4 2 4 2 1 1 4 17 3 2 2 6 8 49 4 2 2 13 1 3 5 2 2 2 12 2 2 2 2 7 2 2 2 2 1 2 2 2 2 2 2 2 2 2 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 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 2 2 2 2 3 3 4 3 1 2 2 3 2 4 4 13 8 8 23 17 2 3 6 2 0 100 25 3 4 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 2 1 2 2 2 2 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 82 81 dt 1H J 9 16 | 77 76 dt 1H J 8 16 | 73 72 ddt 2H J 9 35 80 | 71 70 m 2H | 43 43 t 2H J 65 | 43 42 q 2H J 71 | 40 39 p 2H J 9 | 28 27 t 2H J 86 | 26 25 s 3H | 22 21 tt 2H J 64 86 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)NC(=O)N1CC(OC(c2ccc(Cl)cc2)c2ccc(F)cc2C(F)(F)F)C1
ir: 6 3 3 7 5 7 4 4 2 4 5 15 8 4 7 4 3 3 1 2 1 2 3 4 2 4 9 34 8 4 3 3 3 2 2 8 6 6 2 4 3 1 8 24 75 36 16 8 4 14 9 24 14 5 63 24 100 18 11 2 3 6 2 4 3 6 21 29 7 12 4 4 14 10 10 7 14 5 7 2 2 3 4 9 7 8 8 4 6 6 8 3 8 11 13 29 8 10 40 19 12 7 3 10 7 9 1 3 12 44 2 3 6 4 5 7 7 12 8 12 8 31 2 5 12 5 1 9 9 2 1 2 3 4 0 3 5 2 2 6 9 4 1 13 40 22 37 77 10 10 13 62 10 17 11 5 2 3 2 1 1 2 9 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 0 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 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 2 1 2 1 2 2 4 11 5 4 3 6 5 13 13 17 72 100 39 15 12 9 7 4 5 1 2 2 2 2 3 4 4 2 2 2 2 3 4 6 16 44 46 13 4 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 ddq 1H J 9 29 121 | 75 74 ddd 1H J 7 46 78 | 73 73 m 4H | 71 71 m 1H | 60 59 d 1H J 8 | 57 57 d 1H J 82 | 44 43 p 1H J 29 | 40 40 dd 2H J 30 115 | 39 38 ttq 1H J 16 47 82 | 38 37 dd 2H J 30 114 | 17 16 m 1H | 15 13 m 1H | 12 12 d 3H J 66 | 10 10 td 3H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2ccc(O)nc2n1C1CCCCCC1
ir: 4 4 8 8 6 13 4 18 13 5 17 10 18 5 3 4 19 19 44 15 4 9 29 13 7 11 5 4 3 3 3 4 5 3 2 3 3 3 3 3 14 7 3 4 3 6 4 3 3 4 3 3 21 15 4 6 3 2 3 3 3 2 5 4 6 5 5 10 3 3 3 3 6 3 10 20 13 3 9 4 6 8 4 2 2 2 2 3 2 3 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 5 8 5 9 5 3 3 4 4 3 2 2 3 2 2 2 3 2 2 2 2 3 3 6 9 4 2 2 3 3 21 3 3 7 21 2 3 4 9 31 5 22 70 53 35 6 4 4 3 4 22 5 3 0 2 3 2 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 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 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 1 1 1 1 2 1 1 2 2 2 1 1 2 2 2 3 3 3 3 2 2 2 3 2 5 7 4 2 5 7 2 3 2 5 4 2 0 7 100 17 6 2 1 3 3 1 11 20 4 2 2 2 2 2 2 1 2 5 41 68 8 2 2 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 79 d 1H J 81 | 66 66 d 1H J 79 | 66 65 s 2H | 44 43 p 1H J 60 | 21 20 dtd 2H J 61 74 129 | 19 18 m 2H | 17 16 m 2H | 16 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC(F)(F)F)c1ccc2cncc(-c3ccc(F)c(F)c3)c2n1
ir: 0 1 2 6 5 2 9 2 2 5 3 1 5 3 7 7 8 2 1 1 1 2 17 5 16 5 3 4 2 2 12 26 19 3 12 4 3 3 6 22 25 11 41 43 11 5 8 8 9 21 5 4 36 33 11 6 3 6 2 0 2 1 1 1 1 1 1 2 3 6 19 1 1 1 2 1 1 1 1 2 2 2 22 2 4 8 1 3 3 6 4 3 7 4 3 3 1 3 2 2 5 12 5 3 8 26 6 3 2 2 1 2 42 14 1 12 5 3 5 5 3 2 0 18 15 10 7 8 19 12 2 2 1 1 1 3 2 0 0 4 44 19 98 8 16 4 49 3 2 48 4 6 10 3 2 31 3 23 1 2 1 0 7 0 3 9 2 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 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 1 1 1 2 2 1 1 1 1 1 2 3 6 4 6 21 100 11 4 2 0 2 2 1 0 1 1 1 0 1 2 1 1 2 4 6 1 4 5 6 9 30 26 4 3 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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 0 0 0 1; 1HNMR: 91 90 d 1H J 17 | 90 89 t 1H J 19 | 86 85 dd 1H J 20 86 | 82 81 m 2H | 74 74 m 2H | 73 72 m 1H | 43 42 qd 2H J 59 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NOCCO)c1cc2ccncn2c1Nc1ccc(I)cc1F
ir: 7 6 7 7 7 6 13 12 21 7 5 10 5 7 6 17 18 15 14 43 11 6 35 13 4 19 4 8 10 22 16 7 8 5 4 4 9 21 13 13 8 8 3 2 4 6 19 13 62 6 9 13 11 2 6 19 11 5 19 10 3 3 2 4 2 2 4 19 4 4 3 2 5 2 4 8 4 2 3 8 17 5 7 8 11 29 74 8 7 8 4 8 4 9 3 14 36 22 4 5 4 2 13 3 2 2 1 2 3 3 8 30 9 28 64 11 0 2 3 2 1 4 3 3 1 5 2 3 4 13 3 6 41 3 1 3 4 1 3 4 5 1 30 21 0 3 2 8 11 14 8 11 8 1 2 1 5 34 17 3 6 3 4 2 12 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 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 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 2 1 2 2 2 1 1 3 13 3 5 26 14 66 11 4 4 8 5 67 9 2 3 3 4 1 2 2 2 4 4 4 13 5 12 58 100 29 4 2 3 2 1 1 2 2 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; 1HNMR: 94 93 m 2H | 86 86 dd 1H J 15 82 | 76 76 d 1H J 80 | 75 75 m 2H | 71 71 m 1H | 65 65 s 1H | 38 38 m 2H | 38 38 s 2H | 33 32 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CCCl)c1ccc(C=O)cc1
ir: 1 2 2 4 2 3 5 4 2 3 4 5 6 4 3 2 4 4 3 5 4 5 7 12 2 3 3 1 2 2 2 1 1 3 4 4 5 4 2 2 1 3 2 1 4 9 2 0 8 8 5 15 29 60 29 27 3 0 2 3 2 1 2 5 2 2 4 8 2 8 5 6 2 2 5 5 3 3 2 3 2 3 6 28 10 8 5 4 6 5 11 5 2 3 5 4 6 13 4 10 8 6 5 7 12 6 4 2 2 2 2 2 2 2 2 3 2 6 4 11 8 3 3 3 2 4 4 2 2 2 2 3 2 4 3 2 2 1 3 2 5 2 9 10 12 14 2 3 3 8 35 6 10 25 3 16 2 2 2 2 2 2 2 8 11 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 3 9 2 2 2 2 3 2 2 2 3 2 2 4 16 9 25 16 100 17 6 8 3 3 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 99 s 1H | 76 76 m 2H | 68 67 m 2H | 37 37 t 2H J 29 | 36 36 t 2H J 29 | 35 35 q 2H J 74 | 12 11 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cnc3ccc(CC(=O)O)cc3c2)cn1
ir: 2 2 4 3 4 4 4 5 10 8 22 11 18 4 9 5 7 10 8 10 100 49 25 15 14 12 6 3 3 4 2 2 3 3 2 1 2 2 2 1 2 2 4 3 3 6 6 4 6 9 4 2 3 4 4 15 25 34 14 3 3 4 3 6 6 5 5 3 4 4 4 4 11 6 5 11 25 20 33 18 23 10 5 4 7 9 10 6 5 3 16 7 5 10 10 5 7 3 3 4 4 4 2 2 3 2 1 2 2 2 1 2 3 2 1 2 3 3 4 9 11 7 4 4 3 3 3 3 4 5 3 7 4 5 2 3 3 2 2 4 3 10 6 4 10 14 13 8 6 12 14 10 4 4 4 7 9 4 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 3 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 3 3 2 1 3 3 2 4 8 6 7 13 13 14 5 4 4 6 5 0 47 68 50 33 6 2 3 2 2 2 2 2 2 2 1 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 90 90 d 1H J 18 | 84 84 t 1H J 20 | 80 79 s 1H | 79 79 d 1H J 80 | 79 78 dtd 1H J 7 15 23 | 75 75 s 1H | 75 74 ddt 1H J 9 20 84 | 39 39 s 3H | 36 35 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N(C(=O)OC(C)(C)C)[C@H]1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O
ir: 5 6 16 10 8 7 11 10 23 67 20 13 15 6 10 14 9 8 8 6 10 9 40 17 39 25 10 3 3 8 4 12 4 7 5 2 2 2 6 7 7 27 46 10 2 6 11 3 10 6 5 1 2 4 3 1 15 4 5 3 1 3 2 3 3 3 3 2 3 3 3 4 3 4 3 5 7 8 3 2 3 4 2 2 6 6 13 11 22 23 9 9 14 7 11 12 9 6 2 6 8 6 7 14 22 23 21 6 12 6 5 7 15 4 7 4 6 7 16 13 25 12 5 5 3 5 16 15 7 9 3 6 7 7 24 8 5 1 2 4 2 64 2 5 4 5 89 17 5 4 56 8 28 100 20 11 3 1 1 2 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 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 2 1 0 0 1 1 1 1 1 1 1 1 3 2 2 2 3 3 4 3 4 6 6 6 8 6 7 19 8 4 2 2 2 3 0 22 42 13 11 4 2 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 86 86 d 1H J 8 | 49 49 ttt 1H J 12 27 46 | 46 45 m 1H | 44 44 m 1H | 44 43 m 2H | 42 42 d 1H J 48 | 26 24 m 3H | 23 22 m 1H | 15 15 s 8H | 12 11 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cn(CCN(C)C)c(C3CCN(c4ncnc5c4CCN5)CC3)n2)ccc1F
ir: 7 6 8 2 6 2 2 3 0 2 1 2 1 1 4 2 2 3 2 1 1 1 0 2 1 2 1 1 1 1 1 1 2 6 1 1 1 2 1 3 2 1 10 9 3 6 7 8 3 2 2 1 3 6 19 3 9 10 4 3 3 5 6 5 12 7 9 2 9 4 4 5 4 4 2 2 3 4 3 3 1 5 7 5 4 4 6 4 3 6 5 7 8 5 4 2 7 5 14 5 2 23 9 5 14 22 6 12 11 8 17 22 20 16 16 11 17 13 13 13 10 10 6 11 10 9 6 5 6 10 12 6 33 3 3 7 7 5 3 5 2 1 3 4 1 4 4 15 2 2 27 6 1 1 2 2 1 0 0 0 1 0 0 0 3 5 9 4 2 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 5 5 3 5 4 13 10 20 14 7 9 12 7 14 26 100 75 18 10 22 8 6 3 6 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 4 4 7 18 5 15 4 2 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 76 75 ddd 1H J 21 39 88 | 75 75 m 1H | 74 74 d 1H J 9 | 71 70 dd 1H J 88 101 | 53 52 t 1H J 31 | 42 41 td 2H J 9 41 | 41 40 ddd 2H J 61 89 136 | 38 38 td 2H J 31 56 | 38 37 ddd 2H J 61 89 136 | 34 33 p 1H J 51 | 33 31 m 2H | 28 28 t 2H J 41 | 23 23 d 3H J 35 | 23 22 m 2H | 23 22 s 7H | 21 20 dddd 2H J 53 62 90 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](C)OC(=O)c1cccc(CN2CN(c3ccccc3)C3(CCNCC3)C2=O)c1
ir: 10 2 1 6 2 8 4 3 4 3 14 14 8 9 7 3 2 2 3 2 2 2 3 1 2 2 5 3 3 4 11 43 16 38 9 2 4 5 10 7 11 100 37 7 3 3 12 19 19 5 1 4 13 6 7 4 6 3 3 5 15 8 16 19 15 18 8 13 31 24 8 8 5 6 9 2 4 6 7 5 5 6 25 11 6 6 2 1 2 3 2 19 32 7 4 1 2 2 1 3 10 4 5 5 5 3 1 1 4 3 9 12 44 36 26 30 6 18 22 13 9 9 3 10 6 7 10 43 11 14 0 8 9 7 10 18 3 3 3 15 10 3 2 14 23 23 47 4 13 16 2 13 3 4 2 3 1 1 1 2 8 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 2 3 3 4 2 4 4 2 2 2 4 4 22 29 12 15 39 57 20 5 4 2 3 2 2 2 3 1 1 3 3 2 7 5 7 37 38 24 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 74 73 m 2H | 73 72 m 2H | 69 68 tt 1H J 14 79 | 68 68 m 2H | 51 50 tdt 1H J 16 49 65 | 46 46 d 1H J 16 | 46 46 s 1H | 44 44 s 2H | 43 43 p 1H J 40 | 31 30 m 2H | 29 28 m 2H | 22 21 ddd 2H J 35 61 130 | 20 19 ddd 2H J 33 60 130 | 19 18 dqd 1H J 49 82 131 | 16 15 dqd 1H J 49 81 131 | 14 13 d 3H J 66 | 10 9 td 3H J 15 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[2H]C([2H])(/C=C\C/C=C\CC)C/C=C\CCCCCCC(=O)O
ir: 0 0 1 1 1 1 3 1 2 1 1 1 1 2 2 1 0 3 3 5 11 33 4 9 2 3 1 2 1 1 1 0 0 1 1 4 4 5 9 9 6 3 3 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 1 1 0 0 1 2 4 6 7 10 7 5 4 2 1 1 2 1 1 0 0 0 1 1 1 2 0 1 1 3 2 2 1 1 1 1 1 2 3 3 2 2 4 1 1 1 2 1 4 6 3 4 2 2 2 2 2 2 1 0 1 1 1 1 1 2 2 2 5 2 4 4 8 9 6 3 2 1 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 2 1 2 1 1 1 2 2 3 5 8 15 12 9 4 3 1 1 2 2 3 11 73 100 30 7 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 56 56 dtd 1H J 12 62 94 | 55 53 m 4H | 24 23 m 2H | 23 23 t 2H J 89 | 21 20 m 4H | 21 20 m 2H | 16 15 tt 2H J 75 88 | 14 12 m 6H | 10 9 td 3H J 10 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@]1(C(=O)N2CCC(O)(c3ccccc3C(F)(F)F)CC2)CC[C@@H](NC(=O)OC(C)(C)C)C1
ir: 14 10 3 2 8 4 7 3 4 8 2 2 1 4 3 2 1 3 3 0 1 1 3 1 1 3 4 2 22 7 0 3 7 6 8 13 7 7 5 4 5 9 45 31 7 1 3 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 4 2 2 2 3 2 7 7 8 9 4 9 7 6 8 10 8 7 4 4 6 1 3 2 3 3 3 4 7 12 20 25 11 19 5 3 5 2 5 8 5 10 9 9 16 27 19 10 4 10 5 5 6 6 4 7 8 2 4 5 11 9 11 5 5 4 4 7 6 17 15 3 1 4 3 0 4 51 51 22 16 12 10 11 7 0 1 1 2 2 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 2 1 3 3 2 4 1 3 3 3 4 10 20 11 11 19 12 11 4 6 4 15 100 40 12 1 1 2 5 5 1 1 1 1 1 2 2 3 13 31 31 3 4 3 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 74 m 2H | 74 73 dd 1H J 12 70 | 72 72 ddd 1H J 17 59 70 | 42 42 d 1H J 73 | 41 40 m 1H | 39 38 ddd 2H J 29 57 124 | 35 34 ddd 2H J 29 57 123 | 33 33 s 1H | 24 24 ddd 2H J 29 57 135 | 21 20 ddt 3H J 31 59 136 | 20 18 m 5H | 18 17 m 1H | 17 16 dddd 1H J 54 63 72 133 | 14 14 s 7H | 9 9 dd 6H J 70 223
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(CCl)cc1
ir: 8 6 10 4 0 5 10 7 32 34 9 5 23 34 8 5 2 6 8 3 2 6 8 3 4 17 9 3 2 6 7 4 3 8 7 3 15 10 6 2 4 8 9 4 4 7 7 3 4 8 5 2 5 9 7 21 28 12 5 1 6 11 5 0 22 21 12 5 5 7 4 3 5 7 3 2 6 7 4 3 22 20 8 32 45 46 20 6 18 14 22 67 82 18 4 4 7 6 5 6 10 6 3 4 10 23 24 7 10 9 7 6 10 5 2 5 11 6 3 27 17 21 10 10 22 26 16 7 6 4 4 5 6 4 3 5 6 3 3 6 7 4 4 6 6 5 56 63 8 4 4 8 8 3 4 7 5 2 4 6 10 7 4 7 5 2 4 7 4 1 4 7 4 1 4 7 4 2 5 7 4 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 3 6 6 3 3 6 6 3 3 6 5 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 4 2 4 7 4 1 4 7 4 2 4 7 4 2 5 7 4 2 5 6 3 2 5 6 3 2 5 6 3 3 5 6 3 3 6 6 3 3 6 6 3 3 6 6 3 4 7 7 2 4 7 6 7 9 7 6 2 5 9 27 19 24 33 47 100 22 9 7 7 8 10 5 3 6 6 4 3 5 6 4 3 5 6 3 3 5 6 4 3 5 5 3 3 5 5 3 3 6 5 3 3 6 5 3 4 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 2 5 6 4 3 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 4 2 4 6 4 2 4 6; 1HNMR: 78 78 m 2H | 75 74 dq 2H J 9 84 | 46 46 d 2H J 9 | 33 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(c2cccc(OC)c2)CCC(C)C(=O)N(C)C1
ir: 12 6 1 5 12 6 1 5 9 4 2 6 9 7 2 7 9 3 3 6 9 2 2 7 7 2 2 8 7 3 6 23 24 13 10 9 26 24 4 10 6 2 3 10 6 3 17 77 25 6 10 11 6 0 4 10 5 0 6 8 9 4 7 14 8 50 22 12 7 6 11 11 8 4 7 12 5 3 8 9 7 6 11 10 3 3 11 14 3 2 7 7 4 20 13 7 2 4 10 6 4 21 13 11 12 7 9 6 2 5 12 4 1 6 10 6 3 8 17 16 7 17 10 9 10 9 17 21 6 14 18 12 14 16 15 11 10 11 9 6 9 12 18 6 4 8 8 5 100 28 8 1 4 17 12 4 30 16 6 2 4 9 9 35 5 9 5 1 3 7 4 0 4 7 4 1 4 7 3 1 4 7 3 1 4 7 3 1 5 6 2 1 5 6 2 2 6 6 2 2 5 5 2 2 6 5 1 2 6 5 1 3 6 5 1 3 6 4 1 3 7 4 0 3 7 4 0 4 7 4 0 4 7 3 1 4 6 3 1 4 6 3 1 5 6 3 1 5 6 2 2 5 6 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 3 5 7 5 2 5 15 6 3 6 9 10 5 12 18 22 20 10 41 58 22 8 9 5 1 5 7 3 1 5 6 3 1 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 1 3 6 4 1 3 6 4 1 3 6 4 1 4 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1; 1HNMR: 72 72 t 1H J 75 | 72 71 ddd 1H J 13 21 75 | 68 68 m 2H | 38 38 d 1H J 128 | 38 38 s 2H | 36 35 d 1H J 126 | 29 29 s 2H | 27 26 h 1H J 67 | 21 20 dt 1H J 90 139 | 20 18 m 3H | 17 15 m 2H | 11 11 d 3H J 68 | 8 8 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)ONC(=O)CCCCCCC(=O)Nc1ccccc1
ir: 2 1 2 2 2 1 1 2 12 5 1 1 2 2 1 2 9 5 3 3 9 7 4 4 12 12 11 9 5 8 8 11 8 3 3 5 4 5 12 10 5 12 21 7 5 4 4 5 11 26 11 5 2 4 2 0 1 2 2 1 1 2 1 1 1 2 5 6 15 9 2 1 1 2 1 0 1 3 2 2 2 1 0 1 2 1 1 1 1 1 1 3 2 1 1 1 2 2 1 1 2 3 3 7 9 6 3 2 4 2 3 3 2 3 2 2 3 2 5 5 9 7 6 8 14 4 2 2 2 1 0 2 3 1 1 9 1 1 1 3 2 1 3 13 51 65 44 31 49 17 4 3 6 27 4 1 1 1 1 0 5 2 0 2 2 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 0 0 0 1 1 0 1 1 0 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 1 1 1 0 1 1 1 1 1 1 3 4 3 5 2 2 2 3 3 11 16 10 12 23 17 5 3 2 3 2 1 2 2 1 1 1 1 1 1 1 1 2 2 2 3 13 100 21 18 15 8 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 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: 96 95 s 1H | 80 79 s 1H | 76 75 m 2H | 75 74 m 2H | 72 71 tt 1H J 11 69 | 24 23 t 2H J 83 | 23 22 t 2H J 85 | 21 21 s 2H | 17 15 dddd 4H J 76 84 161 294 | 14 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(C#N)(CCCI)c1sccc1C#N
ir: 1 2 5 3 3 3 4 3 5 4 4 3 4 9 4 2 4 11 4 2 2 5 8 3 2 6 16 3 2 4 5 15 10 4 7 100 10 12 10 4 2 6 4 3 5 13 38 20 7 7 4 1 3 4 3 0 3 4 3 1 3 5 3 3 6 4 3 1 3 4 2 1 3 5 5 8 5 10 3 3 5 4 6 5 4 3 2 2 4 13 3 2 4 3 2 4 5 4 4 4 4 4 9 5 7 3 1 4 5 8 26 30 18 24 16 8 10 6 3 5 13 6 6 7 8 5 6 6 8 3 0 41 18 5 5 3 4 5 4 5 3 2 2 3 3 2 3 3 2 3 48 4 3 2 2 4 3 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 5 5 2 5 12 1 1 3 3 2 1 2 3 2 1 3 3 1 1 3 3 2 2 3 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 2 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 2 2 4 3 2 2 4 5 6 3 4 5 11 5 8 7 5 3 7 15 13 20 6 8 7 9 44 72 1 6 7 3 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 1 3 3 1 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 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 73 73 d 1H J 44 | 72 71 d 1H J 42 | 32 31 m 2H | 24 23 m 2H | 22 21 dt 1H J 55 119 | 20 19 dtt 1H J 42 55 121 | 19 18 dtt 1H J 43 55 121 | 10 10 d 3H J 64 | 10 9 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2c(c1)ncn2-c1cc([C@@H]2CCCN2)ccn1
ir: 12 10 7 3 1 4 6 2 1 3 4 4 0 8 6 7 13 6 7 4 10 11 8 6 6 6 5 8 3 3 3 1 4 5 6 12 20 9 14 23 22 13 44 65 18 16 7 6 2 3 4 9 5 6 3 4 6 7 3 3 3 10 21 24 18 5 9 20 40 17 12 6 7 22 19 4 5 4 1 1 3 9 4 3 3 2 0 2 23 3 7 5 7 15 3 2 3 8 12 10 38 9 15 4 4 3 3 4 4 7 18 38 16 9 15 13 16 26 24 13 9 7 21 10 19 33 5 18 8 26 25 22 8 3 4 4 4 27 5 5 21 5 3 6 11 4 4 7 28 3 19 4 3 5 16 11 4 2 2 3 7 11 28 5 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 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 2 2 1 1 1 2 2 1 2 3 2 1 2 2 3 5 4 5 4 9 11 11 23 46 100 26 11 7 3 2 2 2 2 2 3 3 3 5 2 2 6 6 40 70 13 6 2 3 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 86 85 s 1H | 83 83 d 1H J 37 | 82 81 dd 1H J 14 73 | 78 78 dd 1H J 15 68 | 77 77 dd 1H J 6 22 | 76 75 td 1H J 14 70 | 75 74 td 1H J 13 71 | 72 72 ddd 1H J 7 22 37 | 42 41 dddd 1H J 13 29 40 59 | 36 36 dt 1H J 26 51 | 33 32 m 1H | 32 31 ddq 1H J 21 43 132 | 22 21 m 1H | 21 20 m 1H | 20 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2c(Nc3ccc(-c4ccccc4)cc3)cnc(C#N)c2s1
ir: 33 5 4 5 2 5 3 4 7 5 4 6 10 5 5 9 21 43 25 14 73 7 9 76 10 1 2 5 4 8 7 9 6 1 6 5 4 11 4 6 10 77 6 20 4 1 2 2 5 5 9 9 3 3 7 6 42 18 4 4 4 4 2 2 2 2 2 2 11 16 7 8 2 2 2 3 2 4 3 3 7 2 1 1 1 1 2 4 2 3 5 5 4 10 3 11 3 4 53 4 0 3 3 4 19 8 4 3 3 30 6 5 2 2 1 1 4 8 16 46 9 12 5 4 3 13 4 2 3 2 3 2 0 2 10 6 1 10 34 78 15 25 23 8 4 11 28 9 63 5 17 23 19 10 3 2 2 1 5 3 2 27 2 2 13 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 2 2 3 3 4 9 13 13 32 100 30 18 14 4 6 6 2 2 2 3 3 2 1 2 2 2 1 2 2 2 3 10 10 25 51 14 30 7 2 2 3 4 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H | 80 80 s 1H | 78 78 s 1H | 76 76 dt 4H J 18 86 | 75 74 m 2H | 74 73 m 1H | 72 72 m 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccc2c(c1)C(Nc1cnc(C#N)cn1)C(C)C(C1CC1)N2C(C)=O
ir: 1 4 6 3 2 6 9 11 9 4 6 4 4 9 7 8 13 42 43 20 16 10 20 4 6 6 6 8 14 27 9 6 13 10 6 5 5 8 11 6 29 19 7 4 4 6 4 2 6 8 4 2 4 4 4 15 5 7 5 1 3 5 3 0 10 6 4 2 7 18 35 70 6 6 2 2 4 6 6 5 5 5 3 2 4 4 2 7 6 6 6 4 6 9 32 3 6 4 5 5 5 3 1 3 5 4 0 10 14 9 3 4 10 5 3 4 9 11 5 6 15 6 4 8 7 6 16 21 16 28 7 5 9 5 5 7 14 3 2 5 7 11 93 28 22 46 25 80 8 25 10 8 9 13 8 7 6 2 2 9 4 1 3 5 6 0 3 5 3 0 3 5 3 0 3 5 3 0 3 5 3 1 8 4 2 1 3 4 2 1 3 4 2 1 3 4 2 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 0 2 5 3 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 7 5 1 3 4 4 1 3 5 4 2 3 22 9 8 11 10 12 29 16 10 9 5 3 5 3 1 4 5 4 1 5 6 4 4 9 6 3 6 11 17 6 34 100 43 7 9 6 5 3 4 12 6 2 3 3 3 2 3 4 3 2 2 4 3 1 2 4 3 2 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 4 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 2 4 3 1 2 4; 1HNMR: 85 85 s 1H | 80 79 dd 1H J 7 20 | 79 79 s 1H | 79 78 dd 1H J 20 84 | 74 74 d 1H J 85 | 68 67 d 1H J 84 | 66 66 q 1H J 50 | 53 53 m 1H | 45 44 tq 1H J 16 68 | 30 30 d 3H J 51 | 25 24 ddt 1H J 65 72 138 | 23 23 s 2H | 20 19 dp 1H J 57 66 | 13 12 m 2H | 11 10 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc(OC)c(CBr)c1
ir: 1 9 12 47 10 4 4 5 9 3 2 2 4 2 2 2 3 2 4 2 4 3 14 7 3 1 1 2 2 2 1 5 21 14 11 6 8 3 19 68 71 18 10 2 4 4 3 1 1 3 3 1 2 9 6 3 4 2 2 1 2 4 29 4 4 1 2 3 4 4 3 1 2 2 3 7 2 2 1 1 2 4 4 2 6 7 18 12 5 5 3 2 2 2 2 2 2 2 5 3 6 5 15 10 15 5 5 10 2 3 2 2 2 2 3 6 15 9 9 7 6 4 7 9 3 44 43 43 22 4 0 5 7 7 48 3 2 4 2 2 5 2 2 4 10 100 32 69 1 5 3 1 1 3 4 13 77 3 2 3 3 15 14 1 1 3 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 3 2 2 1 2 2 2 6 2 6 11 7 5 11 12 5 2 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 1H J 16 | 82 82 dt 1H J 9 18 | 46 46 d 2H J 7 | 39 39 s 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc(-c2nc(-c3cc(I)c(OC(C)C)cc3Cl)no2)cc1
ir: 3 2 0 1 2 5 3 2 1 1 2 1 3 2 2 2 6 3 6 14 5 4 10 7 7 2 1 1 1 1 0 0 1 3 2 1 1 2 2 1 1 1 1 1 2 4 2 2 1 1 4 4 5 8 6 7 6 2 2 1 1 1 1 1 2 4 4 22 100 13 6 2 1 2 5 3 3 4 6 3 6 13 3 2 0 2 5 1 2 5 19 6 2 5 1 1 1 4 5 5 1 0 1 0 1 5 1 1 1 1 1 4 6 5 5 2 2 3 15 6 10 4 1 3 9 11 21 10 11 9 3 4 4 3 6 1 3 2 1 0 3 3 0 0 0 1 2 3 2 20 3 11 31 13 5 2 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 1 1 0 0 1 2 2 2 2 3 1 5 22 25 20 78 19 32 5 11 3 2 6 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 s 1H | 79 79 m 2H | 72 72 dt 2H J 9 83 | 72 72 s 1H | 47 46 hept 1H J 57 | 26 26 tt 2H J 9 63 | 17 16 qt 2H J 63 76 | 14 13 d 6H J 57 | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CNCCC(C)c1ccccc1-c1ccccc1
ir: 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 6 11 2 3 3 0 0 8 9 1 8 100 96 41 19 10 17 7 5 1 2 3 3 2 2 2 5 7 3 2 2 5 2 8 4 8 17 6 10 0 9 15 6 8 7 3 2 8 3 3 5 1 2 2 2 1 1 1 1 1 2 7 2 2 2 1 2 3 2 3 2 2 2 3 4 9 36 20 53 41 17 5 9 3 8 9 6 4 2 5 3 3 3 1 3 2 2 4 6 5 6 3 3 5 17 11 49 15 8 4 10 38 4 3 3 3 3 2 4 4 7 4 2 1 2 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 2 3 2 3 5 17 7 23 64 46 12 5 6 1 2 2 2 2 1 1 1 1 1 1 2 5 7 30 45 15 7 3 3 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 78 77 dd 1H J 12 79 | 75 73 m 7H | 73 72 m 2H | 32 31 hd 1H J 7 68 | 29 28 dtd 1H J 44 60 134 | 28 27 dtd 1H J 45 60 136 | 26 25 m 2H | 23 23 tt 1H J 44 56 | 20 19 ddt 1H J 60 68 137 | 18 16 m 2H | 13 13 d 2H J 68 | 9 9 dd 6H J 8 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc([C@H]2CC[C@@H](N3CCN(CCS(C)(=O)=O)CC3)CC2)ccc1N
ir: 6 9 15 12 24 40 46 18 21 16 6 5 2 11 10 8 4 3 8 2 3 5 5 4 3 3 2 3 2 1 7 19 2 4 2 1 3 7 5 1 5 9 4 4 2 7 5 5 3 11 18 6 7 19 26 16 7 4 6 8 7 4 3 3 4 11 6 3 9 18 8 5 4 4 4 5 4 4 12 20 11 11 17 12 10 8 44 64 9 7 7 7 5 11 13 7 7 8 13 15 17 13 13 18 28 14 14 6 3 2 3 3 2 2 5 4 2 5 10 21 5 7 9 4 3 6 1 3 9 3 6 5 8 5 6 2 1 2 2 1 1 0 2 2 4 1 1 1 1 1 4 3 5 13 28 85 31 15 5 4 2 1 1 7 2 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 2 3 7 1 3 3 12 14 5 8 3 2 4 7 11 16 20 4 16 23 14 7 3 2 1 3 2 1 1 1 1 1 1 1 1 1 2 2 37 3 1 1 1 1 1 1 1 1 2 28 100 33 3 2 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 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 68 m 2H | 67 67 dd 1H J 8 17 | 39 39 s 2H | 38 38 s 2H | 32 31 t 2H J 81 | 30 30 s 2H | 29 29 t 2H J 81 | 28 27 m 2H | 27 26 m 8H | 19 18 m 2H | 17 16 m 4H | 15 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-n2nccn2)c(C(=O)O)n1
ir: 1 1 1 1 1 1 1 1 2 5 6 3 3 2 3 4 15 7 5 12 28 26 17 6 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 3 3 4 3 1 1 2 1 1 1 2 1 1 5 9 3 0 2 3 2 1 1 2 2 1 2 3 1 1 1 2 1 1 1 2 2 1 5 19 3 4 15 9 6 4 6 5 3 2 2 2 1 1 2 1 1 1 6 3 1 1 2 1 1 2 2 1 1 1 2 1 0 13 20 1 1 1 2 1 1 6 6 1 1 1 2 1 2 5 7 1 1 1 2 1 3 3 2 7 3 2 2 1 1 2 4 1 1 2 2 1 1 10 8 1 1 2 1 1 1 2 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 3 2 2 6 2 1 1 2 3 2 4 81 100 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 d 1H J 88 | 82 81 s 2H | 76 75 m 1H | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnn(CCO)c1N
ir: 9 21 35 37 19 29 45 39 11 9 28 56 43 18 10 9 8 17 14 8 8 10 8 6 7 17 11 5 4 10 8 4 5 10 10 21 34 15 8 6 6 8 8 4 7 8 6 1 5 9 5 2 10 10 5 1 5 10 8 4 9 12 6 1 7 8 4 1 5 9 4 1 5 8 4 1 6 7 4 2 6 7 5 8 11 14 12 20 86 36 19 19 26 28 30 15 19 20 7 6 8 6 1 3 10 11 1 4 8 5 0 4 9 7 1 5 9 5 3 5 8 4 1 5 9 8 2 5 7 4 3 9 13 4 1 8 10 25 17 7 7 2 2 5 6 4 6 11 8 4 8 10 8 2 3 11 11 11 59 81 11 8 5 7 5 1 4 6 4 1 4 6 3 0 3 6 3 1 4 5 3 2 5 6 3 0 5 6 2 1 5 6 2 1 5 5 2 1 5 5 2 2 5 5 1 2 5 5 1 2 6 4 1 2 6 4 1 3 6 4 0 3 6 4 1 3 6 3 0 3 6 3 0 4 6 3 1 4 6 3 1 4 6 2 1 4 5 2 1 5 5 2 2 5 5 2 2 5 5 2 3 5 5 2 2 6 5 2 3 6 5 1 4 8 6 3 5 7 5 1 4 6 5 3 8 8 6 3 5 8 6 11 12 21 59 59 42 17 10 7 6 8 4 5 7 25 70 7 6 6 3 3 6 5 3 5 9 100 92 18 14 8 3 3 7 6 2 3 6 4 2 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 2 4 6 3 1 4 5 3 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6; 1HNMR: 82 81 s 1H | 41 41 t 2H J 38 | 40 39 dt 2H J 38 56 | 39 39 s 2H | 39 38 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N=[N+]=[N-])c1cc(C#N)c2cccnc2c1-c1cccc(F)c1
ir: 2 1 2 3 3 2 1 4 4 4 2 3 3 1 1 2 3 1 1 3 2 1 2 2 3 1 1 1 1 1 2 5 4 14 28 5 2 1 2 8 6 6 6 2 2 3 2 13 4 2 1 1 8 7 2 3 2 0 1 1 1 0 3 6 3 2 5 10 10 12 3 7 2 1 3 3 6 10 4 2 4 3 4 7 16 5 7 9 2 2 2 4 2 1 2 2 2 4 7 4 7 1 16 1 1 2 3 4 2 3 7 3 0 1 2 1 0 2 4 6 0 3 2 4 5 3 5 5 7 3 3 1 0 3 3 2 17 7 5 31 29 10 5 4 2 1 1 5 1 3 12 5 3 6 32 39 2 2 7 1 2 17 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 1 2 1 2 2 2 4 4 6 9 8 9 100 27 7 5 6 2 1 2 3 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 88 dd 1H J 21 41 | 87 86 dd 1H J 22 77 | 80 80 t 1H J 6 | 75 75 m 2H | 74 74 td 1H J 50 76 | 74 73 dt 1H J 22 121 | 71 70 dddd 1H J 12 21 79 101 | 44 43 m 1H | 15 14 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1CCCCC1C(=O)O)OCc1ccccc1
ir: 4 2 4 3 3 3 3 4 5 5 6 13 7 8 13 7 7 20 15 37 61 44 5 12 11 17 11 8 5 6 6 9 4 5 3 3 6 8 6 2 66 32 100 11 11 9 4 7 7 2 2 3 2 0 4 4 2 3 2 2 2 2 2 4 3 6 4 6 4 5 3 5 2 3 6 6 5 9 33 18 7 7 5 4 2 5 4 5 5 4 2 2 2 3 3 2 2 10 5 3 2 2 3 4 4 4 9 11 12 8 29 9 5 9 4 6 6 3 4 4 2 3 3 8 2 3 3 4 3 4 6 6 6 8 8 9 5 3 2 1 5 9 14 67 24 46 28 22 8 79 4 3 6 2 2 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 1 1 1 1 2 1 2 2 2 2 3 2 5 5 3 2 3 6 5 5 18 5 16 18 39 8 10 6 2 2 3 3 3 4 1 2 1 2 1 2 1 2 2 2 3 6 8 50 33 11 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H | 56 56 d 1H J 80 | 51 51 s 2H | 40 39 ddt 1H J 47 66 80 | 28 27 m 1H | 20 19 m 1H | 19 18 dddd 1H J 48 59 88 135 | 18 16 m 3H | 17 15 m 1H | 16 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc2c(c(C(F)(F)F)c1)OS(=O)(=O)N=C2
ir: 9 13 19 13 2 12 18 8 25 35 17 7 0 10 14 6 2 12 13 5 3 11 15 4 3 12 13 3 3 13 12 2 4 13 11 3 8 18 15 4 6 14 12 3 7 16 10 2 9 16 8 0 7 21 14 0 10 81 100 3 11 16 10 7 21 23 11 24 16 16 7 4 10 13 5 2 10 12 5 5 11 14 7 7 89 51 11 18 21 13 3 4 13 11 3 7 17 12 8 20 16 12 2 7 15 9 11 26 20 9 1 7 16 9 3 10 16 8 1 10 18 8 0 10 14 6 1 10 15 8 2 10 15 8 5 11 13 5 4 17 16 4 4 12 12 3 3 22 51 22 21 15 12 3 6 13 10 3 6 13 13 3 7 15 10 2 7 14 8 0 7 15 7 0 8 14 7 1 8 14 6 1 9 13 5 2 9 13 5 2 10 12 5 3 10 11 4 3 11 11 4 4 11 10 3 4 12 10 3 5 12 9 2 5 13 9 2 6 13 8 1 6 13 8 1 7 14 7 0 7 14 7 1 8 13 6 1 8 13 6 2 9 12 5 2 9 12 5 3 10 11 4 3 10 11 4 4 11 10 4 4 11 10 3 5 11 9 3 5 12 10 3 6 12 9 2 6 13 8 2 7 14 8 6 11 19 19 7 16 14 7 2 8 13 6 2 8 12 6 3 9 11 5 3 9 11 5 4 10 11 5 4 10 10 4 4 10 10 4 5 11 9 3 5 11 9 3 6 12 8 3 6 12 8 2 6 12 8 2 7 13 7 2 7 13 7 2 8 12 7 2 8 12 6 3 8 11 6 3 9 11 5 4 9 10 5 4 10 10 5 5 10 10 4 5 10 9 4 5 11 9 4 6 11 9 3 6 11 8 3 6 12 8 3 7 12 7 2 7 12; 1HNMR: 84 84 s 1H | 78 78 d 1H J 23 | 78 78 dq 1H J 8 23 | 14 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc2c(Oc3ccccc3)nc(C)c(C)c2n1CCOc1ccccc1
ir: 8 5 1 5 11 8 7 7 12 5 2 5 8 4 2 11 8 13 1 12 20 9 16 21 25 26 4 8 15 13 15 14 16 11 7 12 12 8 16 17 33 74 55 44 17 14 21 17 8 1 5 8 4 0 4 7 5 1 5 7 4 1 7 8 11 13 14 51 35 27 20 12 4 2 6 8 6 6 21 11 4 5 7 12 6 12 30 7 2 2 5 6 5 3 7 8 3 7 7 7 4 5 11 12 3 11 8 15 2 4 7 8 6 12 16 9 1 14 19 16 11 13 19 25 45 12 19 14 14 13 24 34 31 42 14 6 10 10 8 7 4 19 30 37 48 29 12 7 6 18 20 24 51 12 15 78 5 34 17 18 5 6 4 1 3 6 4 1 3 6 3 0 3 6 3 1 3 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 6 3 0 3 6 3 0 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 4 2 2 5 4 2 2 5 4 2 2 5 5 2 6 6 5 4 9 13 11 3 6 10 8 6 9 21 58 33 69 100 99 40 20 13 6 3 6 7 4 3 4 5 3 1 4 6 2 1 4 5 2 2 4 4 2 2 4 4 2 2 5 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 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 74 74 m 2H | 73 72 m 2H | 72 71 m 2H | 70 70 m 2H | 69 69 m 2H | 45 44 d 1H J 24 | 44 44 s 3H | 27 27 t 2H J 70 | 25 25 s 2H | 24 24 s 2H | 17 16 p 2H J 67 | 15 14 m 2H | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](Cc2cccnc2)C(=O)O)cc1
ir: 2 1 2 4 5 4 5 4 7 8 5 9 4 4 6 8 5 6 7 8 8 16 16 8 5 1 2 2 2 2 5 3 2 4 5 6 3 3 4 4 3 8 5 8 6 19 1 3 1 1 3 5 7 4 7 3 6 3 2 1 3 3 30 6 5 7 4 3 3 7 7 2 2 4 3 2 7 12 14 10 7 5 6 30 40 7 1 1 8 5 11 8 1 8 16 6 3 1 7 3 2 5 1 1 1 1 3 2 3 2 3 2 15 1 0 2 1 1 3 3 6 5 7 7 3 7 5 2 1 1 2 1 1 1 1 1 1 1 2 10 1 5 29 20 5 12 24 16 13 9 3 3 3 2 1 1 1 0 9 4 3 2 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 1 1 1 1 3 3 2 6 5 6 16 15 12 5 2 1 3 5 1 3 70 100 11 3 1 0 1 1 1 1 1 2 2 3 1 3 7 18 16 6 2 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 85 84 m 2H | 82 82 s 1H | 76 75 m 2H | 75 74 m 3H | 74 73 d 1H J 93 | 72 72 dd 1H J 43 79 | 45 44 dt 1H J 81 93 | 39 38 m 2H | 33 32 ddt 1H J 9 79 155 | 30 29 ddt 1H J 9 79 155 | 29 29 s 2H | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC/C=C\CC(O)C(O)CCCCCCCC(=O)O
ir: 1 4 6 2 2 1 5 4 2 1 2 2 4 5 2 2 2 3 2 7 12 21 10 6 4 2 2 1 1 1 1 0 1 0 1 1 1 2 3 4 2 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 1 1 0 0 0 0 0 0 1 0 1 1 1 1 0 1 1 1 1 6 9 6 5 3 2 1 1 2 8 22 14 10 12 5 2 1 3 1 2 1 2 1 1 0 1 1 1 2 2 2 2 1 1 1 1 0 1 1 1 1 1 2 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 3 4 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 1 1 1 1 1 0 1 1 1 2 2 2 1 1 1 2 1 1 1 5 5 10 6 3 1 1 1 3 2 5 52 100 34 9 6 1 1 2 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 55 55 m 1H | 55 54 m 1H | 42 42 d 1H J 57 | 39 38 d 1H J 51 | 38 37 qdd 1H J 17 57 72 | 37 36 m 1H | 24 23 m 3H | 22 22 m 2H | 22 21 m 1H | 17 16 m 2H | 16 15 m 1H | 14 12 m 15H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(=Cc2ccccc2)CC1
ir: 5 6 8 15 4 19 11 10 10 27 2 61 18 3 0 5 13 6 4 3 6 4 2 4 4 2 1 3 4 2 7 7 10 5 3 3 7 20 26 55 14 35 21 11 6 1 3 5 3 2 2 4 2 1 3 5 4 6 3 7 3 2 8 8 4 3 5 9 11 13 3 5 2 1 3 4 3 5 5 5 2 1 3 3 1 1 3 3 3 3 5 6 3 3 4 6 5 13 6 7 4 9 17 9 3 3 4 3 5 20 21 5 2 6 18 5 10 10 26 41 14 13 6 8 6 6 6 9 5 6 16 11 8 6 17 12 32 12 7 3 4 8 10 61 9 6 4 2 5 5 47 7 20 5 9 3 2 3 2 1 2 4 12 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 4 3 3 3 4 5 4 4 5 6 3 5 5 5 4 11 16 31 29 61 100 40 8 14 6 4 2 3 4 3 3 3 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1; 1HNMR: 73 73 m 2H | 73 72 m 3H | 62 62 t 1H J 10 | 36 35 ddd 2H J 38 59 117 | 34 33 ddd 2H J 38 58 115 | 26 25 m 4H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(Br)cc1-2
ir: 6 4 2 5 4 6 6 3 1 6 4 4 4 4 4 7 13 17 4 2 2 5 9 5 4 15 17 44 44 20 7 6 4 2 5 1 7 4 4 3 3 1 2 2 1 1 9 2 2 0 1 1 1 0 1 1 2 1 1 2 1 3 1 1 2 1 5 4 8 15 3 6 5 3 1 2 1 1 4 2 1 1 1 2 1 1 1 3 4 4 1 1 3 9 12 7 4 3 2 1 1 1 1 1 1 1 1 1 1 1 3 2 8 2 4 4 4 6 10 7 2 7 5 11 10 3 2 3 3 1 3 7 15 6 4 8 4 10 11 1 5 2 1 1 1 2 2 1 68 3 11 13 14 9 3 3 2 2 19 12 1 2 3 3 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 2 3 2 2 2 1 2 5 5 13 4 100 5 4 2 1 1 1 1 1 1 1 1 1 1 1 1 2 5 83 0 1 1 1 1 1 1 1 1 2 3 5 61 6 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 46 | 71 71 s 2H | 69 69 d 1H J 121 | 45 44 td 2H J 8 45 | 44 44 td 2H J 8 46 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCC2(CC1)Cc1ccc(Br)cc1C2=N
ir: 4 2 3 7 7 16 9 7 12 4 2 3 2 2 3 2 6 2 2 1 1 2 1 1 2 1 1 0 1 2 2 2 4 1 2 1 1 1 2 1 2 1 1 1 1 1 2 2 7 4 7 18 5 3 3 5 9 5 5 4 3 4 3 3 3 4 5 15 5 1 3 7 3 1 1 2 3 11 18 10 15 8 9 5 3 7 23 8 4 6 19 17 5 5 5 2 2 1 1 2 2 7 1 3 1 2 2 2 3 3 3 7 3 5 6 8 4 10 10 7 11 1 3 5 4 7 5 3 4 4 1 2 3 1 5 18 8 6 1 1 1 1 1 1 2 19 12 2 1 1 38 6 3 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 0 1 1 1 1 2 2 3 7 6 8 2 3 1 2 2 2 3 12 11 4 25 14 19 7 4 2 2 0 2 2 1 1 2 3 1 2 7 34 100 8 2 1 3 1 1 0 1 1 1 1 2 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 4 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 82 81 s 1H | 75 75 dt 2H J 22 45 | 72 71 m 1H | 37 37 dqt 1H J 16 49 64 | 34 33 d 3H J 16 | 27 26 d 2H J 10 | 21 20 ddd 2H J 62 84 119 | 19 18 m 4H | 16 15 dddd 2H J 50 62 82 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1nc(C)cc1CCC#N
ir: 6 7 3 2 2 2 2 3 10 13 15 10 4 3 1 2 4 2 2 8 11 8 4 4 3 3 5 6 2 1 1 1 1 1 2 2 2 3 3 3 5 6 2 2 3 6 4 2 2 1 2 2 2 2 2 2 4 10 20 9 5 2 4 3 4 4 6 4 8 1 8 17 43 44 52 4 3 7 11 3 2 1 1 1 1 1 1 1 1 1 1 1 2 2 3 1 1 2 2 2 3 6 9 4 2 1 2 2 2 2 7 13 5 6 16 7 9 6 9 18 13 5 3 4 3 5 11 20 8 5 5 6 12 3 2 2 4 28 17 4 4 20 100 5 2 2 2 2 1 1 1 1 1 1 1 3 17 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 3 1 43 2 0 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 6 7 4 4 7 4 5 5 4 30 34 9 3 8 15 39 9 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 59 58 d 1H J 11 | 38 38 q 2H J 52 | 29 28 ddt 2H J 9 59 66 | 28 28 m 2H | 22 22 s 3H | 15 14 t 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)Oc1ccc(Nc2ccc(CCc3ccc4[nH]ncc4c3)nn2)cc1
ir: 14 15 16 16 16 16 15 15 13 18 42 53 79 28 20 15 29 22 22 26 24 27 24 18 19 26 17 18 20 17 24 23 16 14 16 14 14 14 13 13 17 20 14 16 14 13 13 14 13 12 16 20 19 11 91 74 35 17 19 19 30 29 18 10 17 19 14 12 16 26 14 13 18 29 66 40 25 15 18 14 13 13 12 12 15 16 17 19 16 20 24 19 14 14 15 14 14 13 14 17 23 13 21 51 21 58 20 13 15 14 13 31 0 28 21 15 16 13 13 13 14 13 14 15 14 13 12 12 12 12 12 12 12 12 12 13 13 12 15 26 77 19 13 20 14 22 19 45 13 27 52 100 73 39 16 16 20 14 22 18 13 13 12 25 17 12 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 12 12 12 12 11 12 12 12 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 12 12 12 16 16 17 18 20 48 59 39 19 28 23 15 13 14 14 13 12 13 13 16 13 12 13 13 13 14 15 18 19 22 82 42 54 41 35 16 17 12 13 13 13 11 12 13 12 12 12 12 12 12 13 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 12 12 12 12 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12; 1HNMR: 86 86 s 1H | 83 83 d 1H J 17 | 75 74 m 2H | 74 73 m 3H | 71 70 m 5H | 66 66 s 0H | 31 30 ddt 2H J 11 82 90 | 30 29 ddq 2H J 9 72 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(C(C)=O)ccc1-c1cscn1
ir: 0 8 16 9 2 6 8 3 2 14 15 8 2 9 11 19 18 8 12 10 14 10 7 16 2 4 5 2 2 4 4 1 3 14 19 10 3 7 8 27 29 20 34 10 6 7 6 4 5 14 13 3 14 7 3 0 6 13 4 1 14 34 44 40 7 11 8 1 5 10 10 10 8 6 7 6 8 12 3 7 6 6 3 4 11 18 7 5 8 11 3 4 7 7 2 4 6 9 8 6 12 23 10 15 14 9 5 9 14 5 4 5 10 7 8 11 6 8 8 9 7 3 2 5 5 3 1 5 7 4 4 9 15 24 28 67 44 31 8 9 4 1 3 5 5 5 29 79 16 5 3 4 4 2 3 7 4 1 3 6 3 2 2 5 3 1 3 4 4 3 6 5 2 1 2 4 2 0 3 4 2 1 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 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 4 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 4 1 3 7 5 4 3 5 3 1 4 6 5 3 4 6 9 8 28 17 10 11 47 100 82 11 18 7 4 3 4 4 3 2 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4; 1HNMR: 90 89 d 1H J 18 | 78 78 m 2H | 77 76 d 1H J 90 | 75 75 d 1H J 16 | 28 28 qd 2H J 9 72 | 26 26 s 2H | 13 12 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(NC(=O)c2ccc3c(c2)ncn3CCCN)n1
ir: 11 11 13 11 9 7 13 5 2 4 5 3 18 6 9 4 6 9 8 12 7 5 8 16 3 12 15 61 28 15 13 14 4 14 9 5 8 4 4 8 7 6 20 8 15 5 27 8 5 5 5 7 13 12 21 6 11 12 12 5 5 5 6 6 3 3 5 8 13 18 27 28 11 17 13 6 5 3 5 3 9 35 4 4 1 3 2 2 13 22 32 5 6 5 7 12 4 5 5 18 12 100 13 23 10 4 11 17 15 25 14 18 15 10 10 8 15 11 22 11 18 13 31 13 27 8 5 13 7 12 13 9 19 17 17 40 42 45 32 9 11 16 13 7 10 7 22 8 14 29 57 17 5 34 20 6 2 1 2 2 1 0 1 1 1 0 1 3 5 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 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 2 2 2 3 3 4 4 4 5 20 11 4 5 9 10 14 6 5 23 62 34 42 69 78 38 39 22 11 7 7 4 3 4 5 3 3 8 6 24 6 4 4 4 7 8 21 12 16 22 28 13 4 5 5 0 2 2 2 1 1 2 2 1 1 2 1 1 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 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 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 d 1H J 23 | 80 80 t 1H J 9 | 78 77 dd 1H J 21 87 | 76 75 d 1H J 88 | 67 66 m 3H | 42 41 td 2H J 8 62 | 29 28 tt 2H J 49 59 | 22 21 d 3H J 6 | 20 19 tt 2H J 50 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCN1CCc2cc(COc3ccc(-c4ccccc4)c(C(F)(F)F)c3)ccc2C1
ir: 1 2 2 3 3 1 2 2 5 6 4 5 9 14 1 6 5 7 8 25 35 33 54 21 12 6 2 1 2 3 3 1 6 2 1 2 1 2 1 2 1 7 22 7 2 4 4 2 1 3 2 2 6 18 18 8 3 3 2 2 1 0 1 1 2 3 6 18 11 23 6 5 2 6 3 4 15 16 16 47 23 5 3 5 6 3 9 4 2 3 2 2 3 4 3 11 5 3 7 20 4 4 3 2 3 2 1 2 5 8 3 1 0 1 1 2 1 1 4 3 5 3 4 4 3 2 3 1 0 1 1 4 2 3 6 3 4 7 3 11 10 8 34 25 29 11 5 4 4 6 8 1 1 7 3 1 0 1 2 0 0 1 1 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 1 1 2 2 1 1 2 1 2 2 3 4 7 17 100 32 8 3 4 1 0 1 2 4 12 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 81 | 75 73 m 5H | 72 72 dq 1H J 9 19 | 71 70 d 2H J 19 | 70 70 dp 1H J 9 16 | 70 69 dd 1H J 22 81 | 51 50 t 2H J 8 | 40 40 d 2H J 6 | 30 29 m 4H | 28 28 td 2H J 9 49 | 26 25 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)CN=C(c2ccc(CCc3ccccc3)cc2)c2cc(OC)c(OC)cc21
ir: 6 4 3 3 5 3 2 4 5 2 1 4 6 2 5 9 14 7 9 7 4 2 2 3 4 3 2 5 7 11 10 9 9 7 5 19 20 16 15 11 35 24 8 5 4 1 6 5 4 1 3 5 3 9 10 18 11 5 3 4 3 6 5 3 4 4 4 10 9 23 19 8 5 5 8 4 6 12 7 5 1 0 3 3 3 2 3 5 1 29 3 3 2 1 4 4 5 5 5 4 2 2 3 2 2 2 4 3 4 4 5 5 1 4 8 14 13 16 9 6 6 15 11 6 8 6 10 5 20 7 5 3 1 8 9 9 3 5 5 2 6 19 33 14 7 4 11 46 8 38 35 18 13 8 16 16 4 2 2 2 1 2 2 2 4 3 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 3 4 2 3 2 4 3 3 6 12 17 15 32 100 41 13 12 6 2 1 4 4 3 3 2 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 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 76 75 m 2H | 73 72 m 6H | 72 71 m 2H | 69 68 d 2H J 49 | 44 43 s 2H | 41 40 q 2H J 78 | 39 39 s 2H | 39 39 s 2H | 29 28 m 1H | 29 29 s 3H | 12 12 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOS(=O)(=O)CCN1C(=O)CSC1=S
ir: 14 8 3 8 1 12 8 8 7 2 3 2 3 4 3 1 1 2 2 1 1 5 2 5 2 2 2 1 2 6 12 6 3 5 6 1 1 2 3 2 2 3 4 2 5 2 4 3 4 4 12 14 8 10 2 1 3 2 2 1 2 2 2 4 4 3 2 2 2 3 5 56 3 55 30 8 13 3 1 2 2 4 5 4 2 28 52 49 54 20 1 1 2 2 1 1 3 3 1 1 2 1 1 2 4 12 15 10 3 3 2 4 5 10 3 2 4 6 4 6 6 2 2 3 6 21 23 12 7 10 1 3 3 1 1 5 3 1 1 2 2 1 1 2 2 0 0 5 100 10 82 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 4 6 7 9 3 3 2 2 2 3 10 15 19 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 45 45 t 2H J 82 | 42 41 m 4H | 36 35 t 2H J 81 | 14 13 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1CCCN1C[C@H]2Cc3ccccc3C[C@H]2C1
ir: 2 3 4 2 2 3 2 1 1 2 1 1 0 2 3 6 3 4 2 3 2 2 1 1 0 1 2 1 0 2 2 0 0 6 10 3 4 18 20 13 85 37 19 14 8 2 7 9 9 7 2 2 2 1 3 3 2 1 3 2 3 2 2 2 1 2 2 2 3 4 8 2 1 1 2 5 2 5 17 5 4 2 2 4 5 4 8 5 12 41 5 6 7 3 3 3 2 2 2 4 4 5 4 2 5 2 2 2 6 3 1 2 3 2 2 2 6 8 6 17 32 8 3 7 3 7 4 2 1 2 2 6 52 15 7 5 5 8 28 16 6 18 5 2 2 1 1 2 3 16 1 2 8 2 100 0 33 3 2 2 3 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 3 0 2 3 4 4 4 7 21 9 32 82 47 16 2 4 3 2 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 72 71 dd 2H J 38 61 | 70 70 m 2H | 39 39 t 2H J 64 | 29 28 m 4H | 27 26 ddd 2H J 9 68 145 | 26 26 m 1H | 26 25 m 3H | 22 21 dtddd 2H J 18 35 51 70 105 | 20 19 p 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCOC(=O)[C@](C)(CO)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1
ir: 6 11 6 14 7 2 5 3 3 4 13 9 8 19 9 13 7 6 1 3 4 3 8 11 4 7 2 1 2 5 1 2 3 2 3 16 1 5 3 11 11 100 52 31 11 5 3 1 2 4 4 4 4 2 4 3 14 3 3 3 2 1 3 3 3 4 8 12 4 10 30 1 2 3 5 0 3 3 4 1 6 7 9 20 4 7 2 2 7 18 6 7 13 6 12 14 8 18 13 5 7 9 19 5 4 2 2 4 2 1 1 2 3 8 27 9 5 6 3 4 12 8 12 11 11 10 11 4 2 1 3 2 4 22 1 17 2 1 1 3 5 7 13 9 72 26 49 15 7 10 8 9 4 1 2 0 1 0 1 1 7 5 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 2 1 3 1 2 2 2 4 3 5 19 14 26 52 23 8 4 6 10 8 10 3 2 2 1 1 1 1 1 1 3 1 2 1 3 7 3 18 16 13 6 12 4 3 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 86 85 s 1H | 76 75 m 6H | 75 74 m 2H | 74 73 ddt 1H J 14 64 80 | 72 71 dp 2H J 9 80 | 59 58 m 2H | 44 43 dp 1H J 65 84 | 40 39 dd 1H J 62 112 | 37 37 dd 1H J 62 112 | 37 36 t 1H J 62 | 30 29 ddt 1H J 9 66 139 | 28 27 ddt 1H J 9 65 139 | 22 21 dd 1H J 66 141 | 21 21 s 2H | 19 19 dd 1H J 66 141 | 12 12 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C=CC=CC=Cc1ccccc1
ir: 12 12 11 12 12 11 11 12 13 12 12 15 21 12 12 12 12 13 12 12 16 14 37 35 14 11 11 13 13 13 19 13 13 11 14 13 12 11 12 14 25 19 13 13 12 12 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 12 11 12 12 14 15 12 12 13 18 20 44 14 15 20 17 13 12 15 29 23 15 13 14 12 12 12 13 11 12 12 12 11 11 12 13 12 12 12 13 12 12 13 14 11 12 12 12 17 16 12 12 11 12 14 13 12 13 15 14 19 21 15 13 14 19 20 14 13 16 14 15 16 15 14 12 13 16 14 35 33 16 13 13 12 11 22 17 12 14 12 12 12 12 13 12 12 12 12 12 12 15 14 12 12 12 13 14 12 12 12 11 12 12 12 11 12 12 12 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 12 11 12 12 12 11 12 12 11 12 12 12 11 11 12 11 11 11 12 11 11 11 12 11 11 11 12 12 12 12 12 11 11 12 12 11 11 11 12 11 11 12 12 11 11 11 11 11 11 11 11 12 12 12 12 12 12 11 12 12 12 12 12 12 12 11 12 12 12 12 12 12 12 12 12 13 12 13 12 13 14 17 26 38 47 63 29 17 19 10 12 16 11 0 100 10 13 16 11 10 12 13 11 10 12 13 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 12 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 12 11 11 12 11 11; 1HNMR: 74 74 m 2H | 73 72 m 4H | 69 68 ddt 1H J 11 83 154 | 66 66 m 2H | 66 65 ddt 1H J 12 83 156 | 59 58 dd 1H J 7 163
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCOc1ccc(Br)cc1
ir: 2 2 1 2 2 1 3 2 1 3 7 3 5 5 2 2 1 1 1 1 0 1 1 0 0 1 2 4 5 3 1 2 1 1 1 0 0 0 0 1 1 0 1 1 1 2 1 5 1 1 5 17 18 34 100 14 11 9 5 1 4 4 2 3 7 13 16 30 11 13 9 9 5 4 2 1 6 2 8 2 2 20 2 1 2 2 5 2 1 1 1 1 1 2 3 11 2 2 1 1 1 1 0 0 1 1 0 1 1 1 1 2 6 5 1 1 2 2 1 1 2 4 1 5 2 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 2 3 15 9 5 2 6 4 10 8 6 1 1 1 0 0 1 6 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 2 3 2 3 2 2 1 1 1 2 2 11 14 17 42 22 45 4 4 3 6 3 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 2H | 69 68 m 2H | 41 41 t 2H J 50 | 38 38 t 2H J 49 | 37 36 t 2H J 49 | 36 35 t 2H J 47 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)N1C(=O)NCc2c1cc(C)nc2Oc1c(C)cc(C)cc1C
ir: 2 3 3 2 5 5 2 2 2 4 5 2 6 4 4 2 2 3 3 2 2 4 6 100 10 5 9 5 6 6 4 2 2 3 5 7 5 17 34 12 7 8 3 2 13 2 4 4 3 1 3 3 2 1 2 2 8 3 3 4 9 6 4 6 4 3 11 11 4 7 20 16 12 24 3 5 5 4 4 2 2 2 2 2 2 2 4 2 1 3 6 7 3 2 3 2 2 3 5 3 2 2 4 2 4 5 4 5 7 2 3 2 2 3 7 4 5 6 11 18 16 6 13 6 3 7 4 5 9 8 6 3 7 9 6 20 17 4 9 5 2 3 3 3 7 6 9 14 11 7 43 6 2 3 3 0 47 12 5 7 7 5 54 6 3 5 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 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 3 3 2 2 3 3 3 3 3 3 4 4 4 7 7 15 13 11 43 8 5 4 4 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 4 5 41 39 6 6 3 4 4 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 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 1 2 2 2 2 2 2 2 1 2 2 2 2; 1HNMR: 70 70 s 1H | 69 69 s 2H | 64 63 t 1H J 59 | 48 47 d 2H J 59 | 42 41 dddd 1H J 15 30 65 98 | 23 23 d 6H J 99 | 21 21 s 6H | 19 17 dp 2H J 71 121 | 16 15 dp 2H J 71 121 | 9 8 td 6H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(F)(F)c1cc(N)ccc1Cl
ir: 15 31 13 18 13 7 5 8 5 3 3 3 2 2 1 2 2 1 3 2 3 6 7 2 1 1 1 2 1 1 1 3 5 2 3 3 2 3 1 2 1 2 1 1 1 1 1 2 1 1 1 2 17 16 23 1 1 2 1 1 1 1 1 1 1 1 13 4 7 2 1 1 1 1 2 8 2 2 1 7 17 2 0 1 2 2 1 3 2 2 1 0 2 2 4 1 1 1 3 5 9 3 3 10 6 2 1 1 1 6 2 1 1 1 1 1 1 3 2 2 3 2 1 1 1 1 2 3 5 5 1 1 1 1 1 1 1 1 1 1 4 4 1 1 1 1 1 1 2 1 2 1 2 19 26 44 45 33 8 0 1 2 9 10 22 1 0 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 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 1 1 1 1 1 1 2 2 2 2 1 2 4 6 4 4 22 6 3 1 1 1 2 1 1 1 1 1 1 1 0 1 2 2 50 46 3 2 1 0 0 1 1 0 1 5 82 100 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 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 0 0 0 1; 1HNMR: 74 74 d 1H J 67 | 69 68 dt 1H J 13 24 | 67 66 dd 1H J 22 68 | 50 50 s 2H | 25 24 s 1H | 24 24 s 1H | 24 23 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(OC(F)(F)F)c(Br)c1
ir: 15 12 3 10 20 8 0 9 12 6 9 9 12 5 2 8 12 4 1 8 12 4 3 8 10 3 2 9 9 3 3 9 9 2 3 10 8 2 4 11 8 1 4 11 7 1 4 12 7 3 11 14 7 1 13 37 11 0 7 18 35 23 7 12 9 13 27 27 18 12 9 12 7 15 10 13 6 2 10 12 5 5 10 10 4 5 11 11 9 9 10 10 21 33 43 17 23 25 64 68 13 100 19 33 39 21 13 8 2 6 11 7 0 6 12 7 0 7 12 6 3 8 11 6 1 8 12 5 2 8 10 4 2 9 10 4 2 8 9 5 11 14 9 3 3 9 8 3 4 9 41 43 10 40 29 4 5 12 8 1 5 12 25 13 6 12 7 2 6 11 6 0 6 11 6 1 7 11 5 1 7 11 5 1 7 10 4 2 8 10 4 2 8 9 4 3 8 9 3 3 9 8 3 3 9 8 2 4 9 8 2 4 10 7 2 5 10 7 1 5 10 6 1 5 11 6 1 6 11 6 1 6 11 5 1 6 10 5 2 7 10 5 2 7 10 4 2 7 9 4 3 8 9 4 3 8 8 3 4 9 8 3 4 9 8 3 4 9 7 2 5 10 7 2 5 10 7 1 5 10 7 3 8 16 14 10 39 38 24 15 9 14 8 3 7 10 5 2 7 9 5 3 7 9 4 3 7 9 4 3 8 8 4 4 8 8 3 4 8 8 3 4 9 7 3 4 9 7 2 5 9 7 2 5 9 6 2 5 10 6 2 6 10 6 2 6 10 5 2 6 9 5 2 7 9 5 3 7 9 5 3 7 8 4 3 7 8 4 4 8 8 4 4 8 7 3 4 8 7 3 4 8 7 3 5 9 7 3 5 9 6 2 5 9 6 2 6 9 6 2; 1HNMR: 71 71 d 1H J 70 | 69 69 d 1H J 21 | 68 68 dd 1H J 22 70 | 29 29 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc([C@@H](O)CS(C)(=O)=O)ccc1OC
ir: 0 1 2 18 29 3 5 1 1 1 1 1 0 2 2 2 1 1 2 1 3 2 3 2 2 3 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 3 10 5 1 2 2 1 2 3 12 2 2 2 4 2 2 2 3 5 5 6 3 2 3 55 5 4 2 2 3 2 2 2 4 2 1 1 2 4 5 18 15 100 8 17 10 6 9 3 1 1 2 3 9 3 3 6 11 13 9 9 3 2 2 1 0 1 3 2 1 2 4 6 3 4 3 3 2 2 4 4 3 3 3 2 3 8 4 1 0 1 1 0 0 1 1 1 1 3 1 0 0 1 1 3 4 2 2 1 2 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 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 1 1 1 1 1 1 2 2 1 1 1 3 2 2 3 2 1 1 2 2 9 14 9 10 15 5 2 2 0 2 1 1 4 25 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 70 70 ddd 1H J 7 20 82 | 70 69 dd 1H J 7 19 | 69 68 d 1H J 82 | 52 51 m 1H | 45 44 d 1H J 62 | 42 41 q 2H J 62 | 39 38 s 3H | 37 36 dd 1H J 90 150 | 34 33 dd 1H J 90 148 | 31 30 s 3H | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cl)C(=O)Nc1cc(C(=O)Nc2ccc(-c3ccccc3F)nc2)ccc1C(C)(C)C
ir: 2 2 4 4 10 3 5 3 5 5 6 5 2 2 4 4 3 3 3 3 7 3 11 3 5 5 10 9 7 9 5 3 9 16 15 10 35 29 14 18 14 81 44 16 7 11 9 6 6 5 4 3 7 10 35 11 9 6 6 4 4 3 3 2 3 7 2 3 5 13 20 11 23 15 7 2 4 3 1 0 2 3 3 0 2 2 1 3 3 5 15 2 2 3 2 2 4 3 3 9 4 8 2 5 27 10 0 6 12 17 3 5 5 4 1 4 4 3 5 5 8 5 1 3 4 4 16 17 10 6 10 5 19 4 2 4 15 10 8 36 3 9 21 31 29 59 99 23 60 11 36 91 24 13 23 3 7 16 5 10 4 2 7 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 2 2 1 1 2 2 0 1 2 4 3 4 11 7 6 11 11 33 83 67 18 11 5 4 4 1 1 2 3 1 2 1 2 3 2 6 5 4 11 17 11 31 56 100 47 15 8 3 2 5 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 d 1H J 18 | 82 82 s 1H | 82 82 d 1H J 21 | 79 77 m 4H | 76 75 dd 1H J 22 82 | 74 74 m 2H | 73 73 ddd 1H J 14 85 98 | 72 71 ddd 1H J 15 77 101 | 46 46 q 1H J 59 | 17 16 d 3H J 59 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cc(Cl)ncc2cc1-c1ccc(F)c(NC(=O)NCCC(C)(C)C)c1
ir: 2 2 5 4 2 4 14 6 2 2 2 4 2 6 5 3 4 5 3 6 3 3 14 7 8 6 4 7 4 4 6 3 3 3 4 8 30 16 5 6 61 17 31 73 22 14 66 16 4 2 3 1 4 2 7 12 7 2 3 8 7 100 4 1 4 8 3 17 52 11 15 5 6 8 3 1 2 1 2 2 1 2 1 1 1 2 9 5 3 3 1 1 6 4 1 1 2 2 4 4 3 2 8 21 9 21 1 21 12 6 3 2 7 5 9 6 3 4 5 13 7 10 4 6 5 3 3 3 2 3 4 7 20 9 7 26 21 2 5 4 3 1 3 6 23 16 12 88 9 37 51 5 45 1 20 28 6 4 4 2 1 3 6 3 2 4 4 68 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 3 2 3 3 3 3 2 3 2 2 5 4 9 13 14 30 77 41 5 7 2 4 4 2 1 2 2 2 2 2 1 3 2 4 3 2 11 5 38 20 88 20 20 7 5 5 4 2 1 3 3 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 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; 1HNMR: 90 89 d 1H J 18 | 86 86 d 1H J 31 | 85 84 d 1H J 16 | 81 80 s 1H | 79 79 dd 1H J 20 35 | 73 72 m 2H | 67 66 t 1H J 45 | 32 31 td 2H J 45 67 | 28 27 s 3H | 15 14 t 2H J 67 | 8 8 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ccccc2c2c1cc(C)n2CC1CCCCC1
ir: 5 1 1 3 7 4 1 4 5 3 4 3 3 4 2 4 5 3 2 3 3 2 2 3 6 2 4 3 4 1 2 4 16 7 2 4 4 1 3 3 7 69 76 33 16 13 9 10 11 6 3 3 2 4 2 4 3 0 4 10 7 6 3 5 6 2 7 9 22 8 7 4 6 4 7 8 5 1 3 2 1 2 3 3 2 1 2 3 4 3 2 2 2 1 3 2 1 2 4 3 2 2 3 6 9 20 25 29 9 15 10 15 9 6 3 5 4 3 5 10 6 11 5 3 4 7 5 4 3 5 7 5 4 2 4 5 15 24 15 7 2 4 2 2 3 4 4 1 1 6 5 3 28 46 64 5 3 19 18 19 3 3 2 1 1 3 1 2 10 5 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 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 4 4 2 2 3 4 12 8 4 3 8 5 4 7 9 28 8 39 94 100 79 13 6 7 17 6 2 3 3 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 dd 1H J 11 78 | 78 77 m 1H | 76 75 td 1H J 14 72 | 75 74 ddd 1H J 11 71 81 | 70 70 d 1H J 27 | 65 64 d 1H J 8 | 41 40 d 2H J 49 | 39 39 s 2H | 23 23 s 2H | 18 17 m 1H | 17 13 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)OCC(=O)c1cnc2cc(Br)ccc2n1
ir: 19 26 22 30 67 6 15 12 10 12 39 10 20 6 4 5 5 21 31 15 10 7 15 5 4 3 4 2 2 6 9 2 14 7 7 11 10 20 12 8 11 6 1 3 2 16 3 6 5 10 3 4 8 4 12 85 81 8 6 3 8 8 6 61 54 2 3 10 59 17 3 4 9 3 3 6 18 17 3 1 1 3 2 10 4 3 5 6 5 5 7 31 6 9 17 20 9 1 2 2 2 2 1 17 24 2 6 3 2 16 20 9 3 7 7 17 8 11 15 6 6 10 17 13 7 41 64 46 46 39 10 12 9 3 4 2 3 1 1 3 4 1 6 63 62 21 61 17 26 4 25 100 60 24 63 51 1 4 2 3 1 2 1 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 3 2 3 3 4 5 4 4 2 3 11 8 14 12 37 40 37 94 60 16 17 13 6 3 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 83 83 d 1H J 21 | 80 79 d 1H J 88 | 78 78 dd 1H J 22 88 | 53 52 m 2H | 45 44 dd 1H J 44 62 | 39 38 td 1H J 48 58 | 22 22 ddd 1H J 44 51 123 | 20 19 ddd 1H J 32 63 123 | 19 18 dt 1H J 50 68 | 17 15 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc2sc(C(O)c3cc(Br)c4ccccc4c3)cc2c1
ir: 2 2 4 3 3 8 2 2 1 3 2 3 3 2 6 4 6 5 6 6 3 2 2 1 1 2 1 2 1 1 2 2 2 6 2 3 1 2 2 2 4 9 57 11 5 1 8 7 5 5 2 6 7 14 13 0 3 5 3 5 2 1 2 3 2 3 7 17 11 12 4 4 4 3 9 12 3 3 2 4 2 3 11 19 70 30 9 3 4 6 2 3 15 17 8 3 6 5 2 1 3 3 1 6 2 3 5 5 4 8 9 3 3 4 4 3 2 3 2 5 4 3 7 4 6 3 3 4 7 7 3 2 1 1 1 1 2 4 2 7 14 1 1 1 1 3 8 4 8 10 2 3 2 7 9 3 4 3 7 4 1 1 5 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 3 3 2 3 6 6 6 32 100 42 14 10 6 5 5 3 14 13 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 m 1H | 79 78 m 1H | 78 78 d 1H J 77 | 78 77 tt 1H J 8 22 | 77 77 m 2H | 76 75 m 2H | 75 75 d 1H J 20 | 73 73 ddt 1H J 9 21 77 | 62 62 m 1H | 36 36 d 1H J 48 | 28 27 qt 2H J 9 72 | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1c(Br)cc(Br)cc1Br)N1C(=O)C2CCC(Br)C(Br)C2C1=O
ir: 0 2 6 3 1 1 3 2 6 2 0 2 1 1 1 2 1 1 2 9 0 1 3 1 0 0 0 1 1 1 1 1 4 1 1 2 0 1 1 3 1 1 1 7 7 10 2 2 18 0 3 1 4 10 37 35 6 1 7 6 9 15 11 9 23 30 13 3 7 3 0 0 1 1 1 0 1 2 0 0 1 1 1 0 1 1 2 5 2 2 1 3 3 2 1 4 5 1 12 2 1 1 2 3 2 2 9 2 10 2 2 3 7 6 1 2 2 3 1 9 3 3 10 53 5 6 22 3 3 1 0 1 1 1 0 1 1 1 1 6 20 0 1 3 2 3 15 100 2 3 1 0 6 2 4 71 6 6 31 6 1 1 1 1 1 0 1 1 1 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 2 1 1 2 3 2 3 2 7 7 5 7 24 3 7 5 20 10 7 3 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 s 2H | 48 47 t 1H J 59 | 45 45 q 1H J 55 | 39 39 t 1H J 60 | 36 36 dt 1H J 51 61 | 24 23 dddd 1H J 54 67 88 143 | 22 20 m 2H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)c1cc2cnc(Cl)nc2n1C(C)(C)C
ir: 0 5 5 3 1 6 6 4 1 2 5 2 1 3 4 4 24 3 5 1 2 3 4 7 2 3 3 2 3 11 5 2 1 34 6 10 43 100 66 17 5 6 3 5 4 18 5 0 2 6 19 8 7 3 4 1 4 7 3 1 3 11 10 1 3 4 3 0 4 4 4 1 4 5 2 2 4 4 1 2 3 3 1 1 3 2 1 1 4 3 2 2 8 6 0 1 3 3 0 2 5 10 3 2 4 3 5 7 4 4 6 2 4 2 5 53 8 7 2 21 28 28 38 14 11 8 4 8 7 12 17 10 11 21 7 11 6 8 23 16 10 2 2 10 9 49 64 6 4 15 19 4 4 2 1 22 7 2 2 4 3 0 10 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 4 3 3 4 3 1 2 3 2 1 3 4 5 23 15 12 10 3 13 7 15 2 3 4 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 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2; 1HNMR: 91 91 d 1H J 16 | 76 76 d 1H J 18 | 30 30 s 6H | 17 17 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ccc(CC(C)(C)NC(=O)OCc3ccccc3)cc2)cc1CC(C)C
ir: 4 12 8 4 5 5 9 5 6 5 5 23 11 4 4 2 4 2 3 2 3 7 2 1 2 2 3 9 11 72 20 18 38 22 20 13 4 5 4 14 17 8 2 1 1 2 3 1 1 2 1 1 4 15 71 17 7 14 8 2 9 3 2 1 8 4 11 20 10 12 18 2 3 2 2 3 4 6 6 2 3 2 1 1 1 1 2 6 6 26 9 2 1 2 5 6 6 6 9 5 4 1 1 3 3 3 3 3 1 3 0 2 30 10 5 3 4 13 8 9 4 8 6 3 3 2 3 7 6 3 9 3 3 2 7 9 3 2 2 1 3 13 46 100 24 18 14 15 18 15 7 13 7 4 7 5 2 1 1 2 3 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 3 1 3 1 4 3 3 3 3 3 8 5 16 43 21 30 100 37 18 4 4 5 2 4 4 2 1 1 1 1 1 1 1 1 1 1 1 2 1 5 43 90 10 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 1 0 0 0 1; 1HNMR: 79 79 d 1H J 83 | 76 76 m 2H | 75 75 m 2H | 74 73 m 6H | 72 72 dq 2H J 9 69 | 57 57 s 1H | 50 50 s 2H | 39 39 s 2H | 30 29 t 2H J 9 | 28 27 dd 2H J 9 73 | 20 18 dp 1H J 69 139 | 15 14 s 5H | 9 9 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)c(Cl)cc1C(=O)O
ir: 2 1 1 1 2 2 1 9 3 3 2 3 4 2 5 2 7 12 4 31 38 62 35 9 28 5 4 2 2 2 2 0 1 2 2 1 3 5 4 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 3 9 8 10 15 18 9 2 3 5 12 10 16 33 33 5 2 8 4 3 4 6 5 4 3 2 2 3 3 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 8 3 3 1 1 1 1 1 1 1 0 1 1 1 3 7 8 1 1 1 1 1 2 2 5 7 2 1 1 3 1 1 1 1 1 1 1 0 2 4 4 25 57 9 3 2 2 0 1 1 1 2 1 1 1 0 0 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 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 13 19 6 3 1 1 1 1 1 2 13 100 20 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 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 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 s 1H | 71 71 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2oc(=O)ccc2cc1OCCCOS(C)(=O)=O
ir: 7 8 4 4 5 5 7 11 5 4 4 7 6 4 3 4 5 3 2 3 4 3 2 3 4 4 3 5 5 6 5 4 4 3 5 6 14 3 3 6 6 8 4 4 3 2 4 6 4 5 6 4 3 2 3 4 4 5 7 5 4 6 4 5 4 4 6 18 27 10 15 18 14 60 12 6 4 2 4 5 3 3 4 4 3 3 5 11 20 12 4 5 4 5 4 3 3 3 8 25 26 20 13 9 4 4 4 3 2 3 4 4 3 5 5 6 7 5 6 4 6 11 7 4 3 3 4 3 3 4 4 3 3 21 5 3 3 3 3 3 3 4 7 19 4 4 3 3 3 4 3 5 21 14 5 6 5 100 22 0 2 6 3 1 8 7 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 4 3 2 3 4 4 3 5 4 3 3 3 5 4 3 3 4 3 3 6 20 27 7 17 36 25 21 6 5 4 3 4 4 3 2 3 3 3 2 3 3 3 3 3 4 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 78 78 d 1H J 95 | 71 70 s 1H | 69 69 s 1H | 63 63 d 1H J 95 | 42 41 m 4H | 39 38 s 3H | 30 30 s 3H | 22 21 tt 2H J 63 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)CCOc1c(-c2ccc(S(C)(=O)=O)cc2)cnn(-c2ccc(F)cc2)c1=O
ir: 14 10 5 7 9 6 6 6 11 8 9 16 19 12 23 17 8 6 6 7 11 20 9 5 8 8 7 9 9 9 6 5 6 6 9 13 6 15 6 5 7 6 5 7 6 5 5 6 6 13 6 10 18 0 100 39 19 16 18 5 5 8 6 6 16 46 12 13 15 16 7 5 8 8 8 9 15 10 6 10 9 8 11 39 94 12 25 30 21 13 15 28 8 5 7 6 5 6 8 14 6 6 8 6 7 20 9 7 8 7 5 5 6 6 6 5 5 8 11 10 10 16 9 15 30 9 15 12 8 5 4 6 7 6 5 7 7 9 5 6 36 5 5 6 8 4 6 24 58 16 9 5 15 6 7 5 6 9 18 6 5 5 7 13 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 6 5 5 5 6 8 8 13 30 18 27 75 93 40 16 10 17 10 12 7 6 6 5 5 4 5 5 5 5 5 5 5 4 5 5 5 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 83 83 s 1H | 81 80 m 2H | 79 78 m 2H | 78 77 m 2H | 72 71 m 2H | 49 49 hept 1H J 12 | 48 47 hept 1H J 10 | 42 42 t 2H J 68 | 33 32 s 2H | 24 24 tt 2H J 10 68 | 18 17 t 3H J 12
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc(-c2cnc3nc(COc4ccccn4)cn3c2)c1F
ir: 0 1 2 7 1 1 2 2 2 3 1 1 0 1 1 3 4 9 6 3 0 4 5 4 2 4 2 2 1 2 1 4 2 4 3 1 4 8 17 19 2 6 2 0 1 3 4 15 23 4 1 2 3 4 19 5 2 3 5 2 2 3 3 9 13 7 3 6 5 8 16 6 2 2 1 1 1 1 2 2 3 7 4 2 1 1 1 1 1 1 1 2 1 2 2 4 3 1 1 2 4 7 4 2 7 5 3 2 2 1 7 6 1 1 0 1 2 1 1 1 2 1 1 1 3 10 1 2 1 1 1 2 4 2 6 13 19 4 5 40 10 2 12 3 1 3 6 6 8 3 3 6 5 12 12 18 100 63 12 2 2 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 1 1 2 2 2 2 4 5 58 16 7 24 43 5 4 2 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 96 t 1H J 17 | 90 89 dd 1H J 13 20 | 81 81 dd 1H J 18 41 | 80 79 d 1H J 10 | 76 75 dddd 2H J 13 41 89 163 | 73 72 m 2H | 70 69 m 2H | 53 53 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(N2CCOCC2)nc1O
ir: 3 2 2 2 2 2 2 2 2 2 2 3 5 5 5 4 4 3 4 4 5 14 10 3 2 3 2 2 2 2 3 3 2 3 2 4 3 12 39 67 15 4 1 3 2 1 2 2 2 1 2 2 3 1 1 3 3 2 2 2 1 2 3 4 2 2 3 6 1 1 2 3 6 9 7 6 2 2 7 22 17 6 9 11 5 4 4 3 2 2 2 2 1 2 2 2 2 4 3 4 4 10 16 10 4 3 2 2 2 2 2 4 6 7 5 5 6 2 2 2 2 2 3 4 2 4 2 2 2 7 19 7 3 4 2 2 1 3 3 1 1 14 15 4 3 19 22 5 2 1 2 3 17 100 67 4 3 4 10 23 4 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 1 2 2 2 2 2 5 3 2 2 2 4 3 36 79 36 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 s 1H | 44 43 q 2H J 64 | 39 38 t 4H J 56 | 36 36 dd 4H J 53 60 | 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.
O=C(NO)c1ccccc1CCc1ccccc1
ir: 2 5 3 4 2 3 5 4 4 4 3 4 16 10 11 10 7 7 9 5 5 6 3 3 4 3 3 4 6 9 13 7 24 25 10 3 4 7 15 28 26 29 42 56 9 2 3 2 2 2 3 2 1 2 2 1 2 1 1 1 1 1 1 2 5 2 3 6 6 16 3 4 2 3 2 1 3 5 6 7 5 3 2 1 2 2 2 4 4 15 12 27 9 12 26 49 86 34 15 14 17 4 1 2 3 2 1 2 2 3 2 2 6 3 0 2 3 2 1 1 3 2 2 1 2 1 0 2 2 1 1 2 3 4 5 9 45 23 14 13 10 11 41 39 21 38 46 18 20 19 8 13 11 6 4 2 2 1 1 3 8 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 0 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 2 1 2 1 3 3 2 3 3 5 2 4 5 5 8 6 11 8 12 31 40 46 69 51 42 31 17 10 23 47 98 100 18 8 19 10 5 10 6 4 8 13 15 12 14 20 49 67 10 10 6 4 4 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 96 95 d 1H J 35 | 93 93 d 1H J 35 | 78 77 dd 1H J 17 78 | 74 73 m 3H | 73 72 m 2H | 73 72 s 1H | 72 71 m 2H | 33 32 td 2H J 9 81 | 29 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Cl)sc1CCCl
ir: 13 10 16 17 12 7 0 20 14 5 3 5 6 3 1 5 8 4 29 21 41 16 4 6 7 3 2 8 7 6 2 9 26 19 4 9 11 3 8 9 11 10 4 11 18 29 14 9 9 32 27 9 8 1 5 10 4 2 7 9 5 4 7 10 5 4 7 20 10 9 8 7 11 5 7 10 8 14 41 9 4 3 6 11 14 60 24 20 7 3 11 10 5 21 53 17 19 37 91 27 11 9 18 11 10 8 12 7 2 7 8 8 1 22 29 32 29 37 48 30 12 16 13 23 15 9 9 8 16 44 8 12 9 7 4 3 2 5 8 4 11 41 49 15 3 5 5 3 2 6 4 1 2 5 4 1 2 5 3 1 2 5 4 0 3 6 3 0 3 6 3 1 3 5 3 0 3 5 2 0 4 5 2 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 6 3 0 3 6 3 1 3 5 2 1 3 5 2 1 4 5 2 2 4 4 2 2 4 5 2 2 4 5 2 2 4 4 2 3 5 5 3 5 5 8 8 16 15 10 3 11 21 15 25 9 24 12 21 20 100 42 44 16 26 13 14 25 9 14 6 5 6 3 2 3 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 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 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1; 1HNMR: 39 39 t 2H J 31 | 32 31 t 2H J 31 | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCOC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
ir: 8 6 7 7 9 15 21 9 9 12 10 7 9 8 10 7 8 13 19 9 8 6 8 8 12 7 7 6 7 6 7 7 7 10 20 17 27 17 48 94 14 26 39 21 45 54 18 10 11 9 8 3 19 46 68 33 8 0 7 10 9 9 10 13 11 12 21 37 15 15 12 13 9 13 11 22 16 9 11 41 8 7 9 9 6 6 10 11 13 9 9 15 31 42 62 29 12 34 42 30 14 12 15 15 17 43 39 19 6 9 11 7 7 10 15 18 15 24 35 24 18 22 25 23 10 18 11 11 10 8 11 25 15 13 17 11 10 10 9 6 6 15 9 5 5 8 8 7 6 84 11 5 44 12 11 7 6 8 7 5 9 9 6 5 6 8 6 5 6 8 6 5 6 8 6 5 7 8 6 5 6 7 6 5 6 7 6 5 7 7 6 5 7 7 6 5 7 7 6 6 7 7 6 5 7 7 5 6 7 7 5 6 7 7 5 6 7 6 5 6 7 6 5 6 7 6 5 6 8 6 5 6 8 6 5 7 8 6 5 6 7 6 5 7 7 6 5 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 8 8 8 11 10 10 12 13 15 13 9 9 15 10 10 12 27 63 41 44 100 55 65 52 30 12 12 9 9 6 6 7 8 6 5 7 8 6 6 7 7 6 6 7 7 5 6 7 7 5 6 7 7 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 7 7 6 6 7 6 5 6 7 6 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5; 1HNMR: 83 82 dt 1H J 9 18 | 78 77 d 1H J 16 | 76 76 d 1H J 20 | 74 74 d 1H J 84 | 74 73 dd 1H J 21 85 | 49 49 dd 1H J 9 154 | 47 46 dd 1H J 8 154 | 41 41 h 1H J 50 | 39 39 ddd 1H J 38 66 114 | 38 37 ddd 1H J 39 66 112 | 21 20 dddd 1H J 38 47 66 139 | 18 17 dddd 1H J 39 48 66 139 | 13 12 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.