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Cc1ccc2[nH]cc(CC3COCCN3c3nc4c(s3)C(=S)CC(C)(C)C4)c2c1
ir: 1 2 2 2 2 5 13 9 5 3 1 1 2 1 3 1 2 8 6 35 5 3 1 5 12 9 4 1 1 3 1 3 1 1 2 2 1 4 1 1 1 1 3 1 1 1 1 6 2 8 2 5 2 8 3 1 4 6 2 1 1 2 2 1 2 4 2 2 2 1 2 10 4 3 10 2 2 2 1 1 1 1 1 3 1 1 1 2 2 2 1 2 2 3 3 3 1 1 2 3 4 3 0 2 17 2 1 4 23 2 1 5 2 11 13 3 7 6 2 6 11 6 6 5 2 2 1 4 4 2 5 3 3 2 2 1 2 3 2 2 6 37 10 7 2 12 1 15 2 0 1 3 3 1 29 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 3 4 2 2 1 2 3 3 2 13 5 3 43 3 2 4 2 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 100 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 98 97 d 1H J 70 | 75 74 m 1H | 73 72 d 1H J 71 | 71 71 m 1H | 71 70 ddd 1H J 13 24 67 | 43 42 tt 1H J 48 73 | 41 37 m 7H | 32 32 s 2H | 31 30 m 1H | 30 30 s 2H | 29 28 ddd 1H J 7 71 136 | 25 24 d 3H J 9 | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncncc1NC(=O)Cc1c(F)cc(F)cc1F
ir: 14 10 15 4 5 3 2 4 8 3 3 4 4 2 3 3 5 18 26 22 9 2 2 6 7 3 2 4 5 23 13 13 10 6 6 13 34 27 45 77 39 18 14 21 10 11 16 10 8 5 7 18 29 17 12 10 5 6 2 4 10 3 2 4 14 69 16 28 4 1 3 4 5 1 5 3 1 0 2 2 3 3 2 2 1 1 4 5 8 9 3 3 2 2 6 4 9 9 3 5 3 3 11 23 66 20 2 4 2 2 8 27 37 21 15 10 8 12 8 5 1 2 4 8 3 3 8 22 19 10 34 8 2 3 3 1 3 10 13 100 34 4 4 2 2 10 12 6 41 27 5 8 22 9 43 7 8 8 5 72 66 4 3 2 2 1 1 1 1 2 1 1 1 2 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 1 2 2 1 2 2 3 2 5 3 2 2 3 3 3 4 16 6 10 15 31 12 9 5 4 1 1 2 4 2 0 1 2 2 2 2 2 3 2 2 3 6 12 25 89 44 19 4 5 2 1 4 3 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 99 99 d 1H J 18 | 88 87 d 1H J 16 | 68 68 ddd 2H J 10 116 125 | 44 43 q 2H J 64 | 39 38 t 2H J 43 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1sc(-c2cc[nH]n2)c2c1C(=O)CC(C)(C)C2
ir: 2 3 2 1 2 1 1 2 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 7 1 2 1 0 0 1 1 1 0 3 2 4 1 3 5 5 4 48 9 8 10 6 8 21 4 1 2 3 2 0 4 11 11 3 6 1 1 0 1 3 3 3 3 0 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 3 1 1 2 3 2 0 40 13 4 2 2 1 2 3 1 0 2 34 8 2 1 4 1 1 1 1 1 5 1 5 3 2 2 2 3 2 8 5 12 7 9 1 1 1 1 1 2 2 1 2 2 4 1 4 12 1 1 4 7 12 3 1 14 7 0 16 11 9 15 44 1 3 2 2 2 1 0 0 1 1 0 0 0 0 1 1 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 1 1 1 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 1 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 2 1 1 2 1 2 3 1 1 1 2 6 6 15 6 8 3 2 3 8 8 6 3 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 2 0 7 100 1 4 2 1 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 100 99 d 1H J 31 | 75 74 dd 1H J 15 29 | 65 65 d 1H J 14 | 28 27 s 2H | 26 26 s 3H | 25 25 s 2H | 12 11 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
ir: 4 2 1 2 5 4 2 2 2 3 3 6 6 7 7 7 6 5 6 8 13 29 52 8 6 7 9 4 2 3 8 30 3 2 2 4 2 2 2 2 1 8 39 52 25 22 10 30 7 41 17 11 3 0 3 4 2 1 2 3 3 1 2 2 1 1 10 3 2 4 4 3 1 2 4 4 8 13 11 22 10 3 3 4 2 2 3 2 2 7 3 2 1 2 2 3 2 2 8 3 2 2 2 2 1 2 2 2 1 1 3 4 5 4 4 5 1 6 7 7 10 5 15 11 2 3 3 6 3 2 3 3 32 9 10 3 2 3 4 11 20 5 21 23 17 8 14 20 13 5 2 1 4 3 6 7 2 3 3 0 100 15 45 4 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 2 2 1 2 2 2 2 2 4 3 3 4 38 16 4 3 2 2 2 2 2 8 11 2 2 1 1 2 3 1 2 2 2 4 5 13 39 29 9 7 2 2 1 1 2 2 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; 1HNMR: 82 82 t 1H J 53 | 81 80 m 1H | 78 77 m 2H | 75 74 ddd 1H J 18 64 73 | 73 72 t 1H J 81 | 72 71 ddq 1H J 10 22 81 | 69 69 ddd 1H J 13 22 81 | 69 68 tt 1H J 9 21 | 45 45 dt 2H J 8 51 | 41 40 t 2H J 61 | 26 25 t 2H J 93 | 22 21 tt 2H J 61 92
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Br)cc3Cl)n2)nc1
ir: 7 14 8 8 8 5 5 7 9 5 6 8 7 9 5 5 7 10 5 8 5 6 8 4 4 5 5 6 4 5 9 7 8 5 9 24 25 13 10 15 4 3 4 4 4 3 4 4 4 4 7 6 28 31 24 25 13 2 6 7 3 2 5 4 3 4 6 9 4 3 3 6 4 3 4 3 4 3 3 4 3 4 7 8 3 3 5 19 4 4 3 3 3 3 6 7 4 10 7 9 7 5 3 3 4 4 6 7 5 4 7 7 13 8 3 4 3 4 4 4 6 8 15 9 14 33 19 6 5 5 6 3 3 5 14 5 7 16 100 31 17 12 6 5 10 19 43 89 28 9 9 60 28 7 7 8 6 3 4 11 7 70 7 0 3 5 3 1 3 4 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 5 6 6 12 9 7 6 8 5 4 4 3 3 3 3 3 3 3 4 6 5 4 4 6 7 10 12 33 33 82 58 13 6 8 4 3 4 3 4 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 91 91 s 1H | 85 84 dq 1H J 13 25 | 80 80 m 1H | 78 77 d 1H J 18 | 77 77 m 2H | 74 73 dd 1H J 26 49 | 73 73 d 1H J 26 | 68 68 d 1H J 70 | 66 65 m 1H | 64 63 m 1H | 39 38 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)N1CCCc2ccccc21
ir: 6 10 7 4 5 6 6 4 2 3 4 3 4 3 2 3 3 4 5 8 2 4 4 8 3 3 4 3 3 5 9 4 5 4 3 4 3 3 3 2 7 93 85 18 16 10 11 6 5 5 4 3 5 5 2 2 2 2 2 3 3 2 3 2 2 2 2 3 2 4 2 3 3 3 4 4 5 2 3 10 13 3 2 3 3 2 2 2 19 9 6 2 4 3 2 3 7 4 3 3 4 3 2 2 3 3 3 3 3 4 2 5 3 7 4 6 8 4 3 4 3 6 4 5 4 4 3 5 5 3 3 4 8 4 4 3 7 15 14 8 5 1 67 100 0 6 6 13 22 6 14 16 10 2 4 3 2 3 2 3 7 10 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 2 2 1 1 2 2 2 1 1 1 1 1 2 2 1 1 2 1 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 2 2 2 1 2 3 2 2 3 4 5 4 7 5 3 2 5 5 15 18 15 20 34 35 9 7 4 2 1 3 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 td 1H J 17 75 | 72 72 dd 1H J 16 74 | 70 70 ddt 1H J 9 17 80 | 67 66 m 1H | 41 41 ddd 1H J 39 65 123 | 40 39 ddd 1H J 39 65 123 | 38 38 s 2H | 28 27 td 2H J 9 73 | 21 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl
ir: 1 2 4 2 6 6 3 3 6 23 20 8 4 9 28 30 5 4 5 15 21 3 3 1 2 3 4 2 3 3 5 2 1 3 2 1 1 5 2 1 1 3 4 1 4 5 2 1 10 22 5 2 1 3 2 0 2 6 7 2 2 5 4 4 3 3 3 1 4 3 2 1 2 4 2 2 3 3 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 6 4 5 6 2 1 1 3 2 1 1 3 2 1 4 3 2 1 2 5 4 5 7 3 8 3 5 3 4 6 7 31 13 7 6 6 5 100 12 3 2 6 7 4 4 2 3 2 1 1 2 2 1 1 7 20 6 2 3 2 1 1 8 13 2 2 23 4 1 1 2 1 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 2 3 3 2 2 3 4 5 11 9 5 2 2 2 3 2 1 2 3 1 0 2 3 2 1 2 3 2 1 4 7 2 3 7 8 8 14 94 43 6 4 4 4 2 2 2 2 3 3 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 72 72 s 1H | 57 57 q 1H J 50 | 46 45 p 1H J 59 | 30 30 d 4H J 51 | 19 18 dd 2H J 58 122 | 16 16 dd 2H J 58 122 | 14 14 s 2H | 10 10 s 5H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(-c2ccc(CC3c4ccc(O)cc4CCN3c3ccc(F)cc3)cc2)cn1
ir: 3 2 4 6 3 4 2 5 5 3 4 7 2 4 4 3 6 7 4 9 8 3 2 13 1 2 1 2 1 5 1 1 1 3 3 11 56 3 3 2 4 1 3 1 2 1 2 2 2 4 3 10 45 37 42 37 8 3 14 4 3 5 3 3 3 1 5 28 22 22 7 10 3 4 2 3 3 3 3 56 44 10 5 2 3 4 12 48 12 5 15 9 5 10 6 11 8 7 7 14 5 7 3 3 3 5 2 2 1 1 2 2 1 2 3 2 2 8 11 3 4 6 4 4 4 2 1 2 6 6 3 4 5 3 2 3 1 2 1 8 29 10 10 3 2 2 4 21 37 20 13 14 16 12 3 2 2 2 2 27 8 1 9 1 18 3 1 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 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 3 1 4 2 4 2 2 2 2 3 10 11 4 19 100 34 17 6 9 3 4 1 52 8 1 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 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 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; 1HNMR: 86 85 d 1H J 19 | 78 78 dd 1H J 20 75 | 76 75 m 2H | 73 73 dq 2H J 9 85 | 71 71 dd 1H J 6 91 | 70 70 d 4H J 68 | 67 67 d 1H J 75 | 66 66 dd 1H J 21 91 | 66 65 m 1H | 64 64 s 1H | 48 48 m 1H | 39 38 ddd 1H J 37 62 125 | 38 37 ddd 1H J 37 63 126 | 32 31 m 1H | 32 31 s 6H | 31 30 dddd 1H J 8 36 62 137 | 30 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CC(=O)O)nc1
ir: 1 2 6 2 2 2 1 6 5 5 10 9 9 4 4 8 10 8 22 67 100 72 67 20 9 6 10 3 2 3 6 6 11 10 4 4 2 4 5 2 1 1 2 3 3 3 4 3 3 4 1 2 5 14 11 8 6 3 1 2 1 1 0 0 1 1 1 1 4 4 3 2 2 3 3 5 20 15 25 30 7 15 4 4 8 13 8 3 2 2 3 3 2 2 2 4 6 8 3 8 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 6 10 4 10 6 8 2 5 3 1 1 2 1 1 2 4 10 15 22 7 3 11 10 13 9 6 3 4 9 3 5 3 1 1 0 1 0 1 2 12 6 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 2 1 2 4 2 2 0 2 2 3 6 5 7 6 5 13 4 4 2 1 1 1 15 19 10 15 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; 1HNMR: 83 83 m 1H | 76 75 m 1H | 72 71 dt 1H J 10 80 | 37 36 d 2H J 10 | 23 22 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1nc(-c2ccnc(Nc3ccc(CN4CCNC(=O)C4)nc3)n2)ccc1N1CC[C@H](F)C1
ir: 4 2 3 3 9 7 2 6 2 1 3 5 3 2 2 3 3 4 2 2 1 1 4 1 6 11 36 62 22 8 13 5 2 1 10 13 5 52 0 10 7 5 3 22 3 2 6 7 3 9 4 3 12 14 27 20 10 9 8 6 3 1 7 2 3 10 1 3 1 2 7 2 2 3 7 1 1 1 2 1 8 1 2 3 6 2 3 3 3 4 5 2 6 11 8 3 1 4 6 10 7 5 7 4 7 11 5 7 3 2 2 2 4 1 2 1 2 3 3 2 5 3 6 3 8 5 15 7 4 3 2 19 7 6 11 2 1 4 3 6 10 5 47 5 2 3 8 100 7 4 8 12 56 18 20 12 10 13 3 2 1 5 1 30 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 4 2 2 1 1 1 1 3 10 16 12 12 20 2 3 4 2 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 11 17 35 18 78 19 9 10 2 1 2 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 d 1H J 19 | 86 86 d 1H J 51 | 86 85 d 1H J 81 | 85 84 s 1H | 79 78 d 1H J 51 | 76 75 d 1H J 82 | 75 74 dd 1H J 19 78 | 73 72 dt 1H J 9 78 | 63 63 t 1H J 34 | 50 50 m 1H | 49 49 tq 1H J 18 41 | 39 39 d 2H J 10 | 38 37 m 1H | 37 36 ddddd 1H J 18 33 53 70 122 | 36 35 m 1H | 35 35 ddd 1H J 22 34 85 | 35 34 m 3H | 34 34 d 1H J 37 | 29 29 m 2H | 24 22 m 1H | 21 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2C#N)n(C)c1=O
ir: 6 5 5 8 8 5 3 4 3 2 2 1 2 5 3 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 4 4 4 4 5 2 8 11 31 13 7 3 20 16 8 0 2 8 6 2 2 1 1 0 1 2 1 1 2 2 1 1 1 1 1 2 6 4 4 7 5 4 2 1 2 2 2 1 2 2 1 1 1 8 3 2 4 13 8 27 6 2 2 1 1 1 1 3 3 2 1 1 2 2 2 2 2 7 12 19 5 10 7 2 1 5 10 23 16 15 7 19 25 15 2 6 5 12 12 9 4 4 2 7 38 37 2 2 2 11 16 8 4 2 14 7 14 6 9 30 4 1 2 2 1 2 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 1 1 1 0 1 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 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 1 1 1 0 2 6 3 1 2 4 3 2 3 6 3 18 7 8 9 20 20 15 15 100 36 18 11 2 3 3 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1; 1HNMR: 76 76 m 1H | 74 73 m 3H | 55 55 d 2H J 7 | 35 35 d 6H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(OCC)c1ccc(-c2cnn(C)n2)nc1
ir: 3 1 2 1 17 2 2 2 0 7 14 2 3 8 7 1 0 1 2 1 1 3 5 1 0 1 1 1 2 1 1 1 1 1 1 2 5 12 3 1 1 1 1 0 1 4 3 0 1 2 4 1 2 8 100 5 2 1 1 1 1 1 1 2 1 1 1 1 2 7 12 4 8 6 3 6 15 14 16 4 4 2 1 1 1 1 1 1 3 1 1 1 4 1 2 2 7 1 1 1 7 6 1 1 1 1 1 1 1 2 1 9 6 3 2 2 4 3 1 5 3 2 3 2 7 30 7 2 9 7 21 20 2 2 0 3 32 2 1 1 1 1 1 0 0 1 4 0 1 2 26 6 5 3 2 0 1 1 1 0 1 37 0 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 2 1 3 4 2 7 0 12 5 8 4 4 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 m 1H | 81 81 s 1H | 79 79 m 1H | 79 78 d 1H J 86 | 56 56 d 1H J 10 | 43 43 s 2H | 37 36 dq 2H J 61 113 | 36 35 dq 2H J 61 113 | 13 12 t 6H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2ccc(Nc3ncc(F)c(NC4CCCN(C(=O)OC(C)(C)C)C4)n3)cn2)CC1
ir: 7 7 7 9 9 8 18 6 11 15 25 16 11 9 8 8 5 8 8 6 5 11 18 28 9 6 9 9 6 8 7 6 7 6 7 25 9 6 6 6 6 6 7 6 6 6 6 5 7 8 8 6 17 44 100 33 29 22 9 8 7 7 7 7 8 7 7 6 7 6 7 7 6 6 5 6 5 6 6 9 17 6 7 9 9 8 6 8 5 11 7 6 8 7 6 6 7 12 7 7 7 8 8 13 8 8 39 7 7 8 11 8 8 7 6 5 6 6 7 8 6 7 13 7 6 7 15 14 10 13 7 7 7 10 8 11 14 13 13 10 26 23 38 6 6 7 7 24 8 7 10 24 77 0 8 11 7 75 6 8 6 4 5 7 9 5 5 6 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 6 6 6 7 6 5 5 5 6 6 8 13 8 7 11 10 9 6 6 5 5 5 6 5 5 6 6 5 5 5 6 5 8 7 8 8 6 15 15 27 49 17 12 8 7 5 5 6 6 7 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 89 88 s 1H | 85 84 d 1H J 19 | 80 80 d 1H J 141 | 74 74 dd 1H J 19 85 | 68 67 d 1H J 86 | 62 61 dd 1H J 47 89 | 42 41 m 1H | 39 38 dd 1H J 40 119 | 37 36 m 4H | 36 35 m 2H | 34 34 ddd 1H J 35 61 122 | 29 29 s 3H | 25 24 m 4H | 20 19 dddd 1H J 56 63 90 132 | 19 18 ddtd 1H J 35 61 88 134 | 18 16 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.
CCOC(=O)c1cc2nccnc2cc1C(=O)OCC
ir: 13 16 8 9 7 10 4 4 7 3 3 6 9 37 6 3 3 18 32 11 5 11 2 3 3 2 3 10 2 2 2 5 4 2 3 4 3 2 2 7 3 2 2 2 4 3 2 2 2 2 3 5 2 2 3 8 33 3 3 3 3 24 5 3 2 1 3 4 14 24 25 4 6 6 25 21 4 1 2 3 2 2 3 5 4 2 2 1 5 5 100 6 0 2 4 3 1 8 31 3 1 1 4 4 11 8 14 7 1 3 6 8 9 8 13 35 11 8 17 14 18 33 8 5 2 3 4 2 3 11 4 2 7 18 2 3 3 14 35 3 4 7 8 8 21 8 26 11 11 3 2 2 9 4 3 13 8 9 3 2 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 3 3 2 3 3 4 5 4 5 10 5 6 20 99 3 4 4 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 91 91 s 2H | 87 87 s 2H | 44 43 q 4H J 64 | 14 14 t 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1-c1nnc(C(C)(C)NS(=O)(=O)c2ccccc2)n1C
ir: 9 6 4 5 13 9 7 4 5 8 8 4 5 15 3 4 4 4 4 6 5 5 4 6 4 4 3 3 5 8 21 5 6 3 5 5 5 8 6 10 40 5 11 58 8 7 9 11 6 4 4 7 13 25 13 0 4 5 4 4 4 4 5 4 11 8 29 26 9 6 4 4 4 5 6 5 6 6 4 3 4 4 5 4 20 10 22 7 6 7 39 6 4 4 4 5 5 6 8 5 6 6 4 5 3 9 4 4 4 4 3 9 10 5 5 26 31 33 19 11 10 11 6 5 5 4 4 4 5 7 10 10 9 10 16 19 4 6 20 4 5 4 6 16 11 4 6 5 9 5 4 3 4 4 3 3 3 5 3 4 6 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 3 3 3 4 4 3 4 4 4 4 5 7 9 14 11 100 18 14 6 3 3 4 3 3 4 3 4 3 3 4 3 3 4 5 3 4 11 38 27 7 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 79 tt 1H J 13 74 | 78 78 m 2H | 78 77 dd 1H J 11 79 | 75 74 m 2H | 74 74 ddd 1H J 18 68 78 | 73 72 m 2H | 61 61 s 1H | 39 38 s 3H | 25 24 d 3H J 6 | 18 18 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)Cc1ccc(S(=O)(=O)N(CC(C)C)c2cc(C(F)(F)F)ccc2C)cc1
ir: 9 13 12 12 16 19 16 17 25 60 21 33 41 15 11 14 18 19 18 11 14 11 15 9 11 14 21 11 12 12 21 8 9 16 31 9 12 13 10 8 9 10 12 10 14 10 13 15 11 11 10 10 10 15 53 64 59 18 12 12 13 34 18 13 11 12 15 48 23 14 15 16 12 21 16 10 13 9 10 8 12 22 26 30 61 29 82 75 28 50 20 11 14 31 62 34 19 18 0 22 14 15 14 11 11 12 23 23 21 22 15 17 23 42 35 18 10 13 13 16 24 21 22 12 26 31 23 36 17 22 26 23 19 10 8 9 9 8 8 8 9 9 8 13 35 47 27 21 20 13 18 11 16 12 19 12 9 8 9 8 8 10 10 8 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 8 9 8 12 13 14 10 9 9 11 11 11 11 12 13 12 20 34 34 39 100 68 87 35 12 13 10 12 10 9 10 11 9 8 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 78 77 m 2H | 76 75 dq 1H J 9 20 | 74 73 dq 2H J 9 84 | 73 72 m 2H | 42 41 q 2H J 61 | 36 35 d 2H J 57 | 29 28 d 2H J 9 | 24 23 d 3H J 10 | 21 20 dddd 1H J 56 68 125 136 | 13 12 m 8H | 10 9 d 5H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2c(cc1OC)C(c1cccc(NC(=O)COC)c1)=NC1CCC(O)CC21
ir: 7 8 6 5 13 5 3 3 2 4 4 3 3 2 6 3 21 25 4 2 4 2 3 3 4 2 1 2 4 7 15 18 10 19 13 8 9 14 7 5 5 6 6 4 4 6 11 48 15 12 3 7 3 5 2 2 3 8 15 8 2 0 3 8 7 3 13 30 5 14 21 5 3 8 19 12 8 5 5 3 4 10 3 7 13 27 29 51 100 6 11 18 7 4 7 2 13 2 4 3 3 4 9 11 20 11 5 3 2 3 2 4 1 2 6 3 3 5 5 4 9 7 17 9 6 11 8 8 8 3 2 1 3 1 3 3 1 1 4 6 3 1 4 3 10 73 64 22 19 10 2 3 7 8 12 5 13 60 2 2 1 1 4 5 2 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 3 2 2 2 3 3 3 1 4 3 4 9 5 30 20 6 14 68 11 7 4 7 4 8 13 33 15 5 2 4 2 2 2 1 2 2 3 4 7 3 14 67 16 6 2 2 1 2 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 79 79 t 1H J 22 | 77 76 ddd 1H J 11 21 80 | 75 74 dd 1H J 71 81 | 74 73 ddd 1H J 12 22 71 | 69 68 s 1H | 68 68 d 1H J 6 | 42 41 q 1H J 63 | 42 42 s 2H | 41 41 q 2H J 62 | 39 38 m 1H | 39 39 s 3H | 34 34 s 2H | 30 29 m 2H | 24 23 ddd 1H J 60 71 132 | 22 21 m 1H | 21 20 ddd 1H J 59 70 136 | 20 18 m 2H | 16 15 m 1H | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CCc2c(F)cccc2O1)N1CCN(Cc2ccccc2)CC1
ir: 2 4 4 2 0 2 1 20 4 5 3 1 0 2 1 2 2 2 2 6 4 2 5 3 5 4 5 3 3 5 19 8 4 6 4 1 2 4 3 38 35 8 8 4 3 13 31 85 6 3 2 3 1 2 1 1 1 3 1 1 5 1 2 6 12 5 4 5 20 3 1 1 1 3 10 7 2 11 7 3 10 6 2 14 13 5 3 6 21 54 4 5 3 5 1 2 1 5 9 4 5 7 3 4 2 4 0 4 4 3 4 5 5 6 4 10 4 5 2 11 11 8 7 8 5 6 3 2 3 3 2 7 18 3 8 17 11 11 7 31 17 6 12 7 4 2 3 59 8 2 1 8 3 1 1 1 56 13 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 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 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 2 5 3 3 5 3 2 4 4 2 2 23 19 16 100 59 8 12 6 2 2 2 2 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 72 71 td 1H J 51 81 | 69 69 ddd 1H J 11 80 100 | 68 67 dd 1H J 12 82 | 49 48 t 1H J 56 | 37 36 d 2H J 7 | 35 34 m 4H | 32 31 dddd 1H J 47 63 88 159 | 31 29 dddd 1H J 48 64 90 161 | 27 26 t 4H J 48 | 24 23 m 1H | 21 20 dddd 1H J 56 63 90 135
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cn1ncc2cc(Cl)cc(CC(=O)O)c21
ir: 0 1 1 1 1 2 2 6 4 7 3 5 7 8 5 4 7 6 11 16 29 56 19 27 7 6 2 3 2 1 1 1 1 3 3 2 1 1 1 8 2 1 1 1 1 1 2 3 1 2 1 2 2 1 1 1 1 1 2 1 3 0 1 2 1 1 3 2 3 1 4 4 2 1 1 2 4 16 7 36 7 5 5 2 5 5 4 4 4 2 1 7 7 6 2 1 1 4 2 2 1 1 2 1 3 6 5 9 1 2 2 5 4 2 2 1 1 3 4 4 7 4 5 6 2 2 1 5 3 2 2 3 1 2 5 2 2 1 1 2 2 4 4 16 16 6 3 2 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 2 1 2 2 3 2 5 4 7 4 3 2 2 1 1 2 3 0 15 100 13 3 1 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 d 1H J 16 | 78 77 m 1H | 72 72 dt 1H J 9 20 | 40 40 d 2H J 46 | 38 37 d 2H J 7 | 23 21 dtt 1H J 46 70 139 | 10 10 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)(COC)N1CCN(Cc2ccccc2)CC1
ir: 7 6 5 3 13 3 2 16 1 2 3 3 8 4 2 2 1 1 2 1 1 1 2 2 1 2 2 1 8 5 10 5 7 5 3 1 5 3 28 50 84 13 9 13 8 8 8 7 6 8 4 3 2 2 10 0 2 13 19 14 12 9 5 0 3 7 8 36 17 6 5 3 8 9 3 36 12 9 10 14 100 54 20 9 5 6 17 14 6 31 3 6 21 7 8 8 11 14 7 6 15 12 11 4 2 5 8 8 5 5 20 6 4 2 4 4 4 7 10 21 12 7 8 7 3 9 3 7 7 7 12 7 9 15 9 63 21 7 5 5 3 10 18 38 8 3 10 5 2 3 2 2 8 2 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 5 4 4 2 1 4 7 10 8 26 22 27 79 28 18 12 4 4 3 3 1 4 4 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 73 72 m 6H | 37 36 d 2H J 8 | 35 35 s 2H | 33 32 s 2H | 27 27 h 9H J 16 | 17 16 dq 2H J 74 130 | 14 13 dq 2H J 74 128 | 8 8 t 6H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(Cc1ccccc1)(N=Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(N)=O
ir: 11 6 6 3 2 2 3 2 2 2 4 4 5 9 5 13 10 27 4 13 5 5 4 5 6 3 3 5 5 6 3 8 19 9 7 7 5 5 6 3 7 6 6 3 1 1 2 1 2 8 35 5 10 6 7 5 7 2 8 3 1 0 2 2 2 2 2 2 3 6 3 4 2 2 3 2 3 3 3 6 2 2 3 3 5 6 10 18 17 13 15 6 10 10 9 8 6 5 7 17 5 12 9 3 1 2 1 1 1 2 2 2 4 3 2 3 5 5 4 4 2 2 1 1 1 1 2 5 9 3 1 1 1 2 3 4 4 2 2 1 3 9 11 6 6 21 30 3 1 5 19 10 2 3 4 2 3 26 23 5 2 1 1 1 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 0 1 1 1 1 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 1 1 1 1 1 1 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 3 3 1 2 1 3 1 2 2 3 3 2 4 6 6 9 11 23 24 8 4 5 4 6 36 100 30 11 6 1 4 5 1 3 29 86 8 4 3 1 2 1 1 1 1 1 2 10 25 6 2 2 1 1 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 77 m 2H | 75 75 m 2H | 73 73 m 4H | 73 72 m 1H | 71 71 s 2H | 34 34 m 1H | 32 31 m 2H | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2=O)cc1
ir: 17 15 12 15 17 14 12 16 18 16 13 16 17 15 15 24 30 18 20 25 20 17 16 30 27 17 19 19 43 16 18 22 19 16 18 17 16 14 18 26 18 19 29 100 66 24 20 26 30 13 18 33 24 32 50 31 36 13 17 18 18 18 19 20 26 18 17 17 17 18 24 18 17 49 18 18 14 13 15 16 13 13 17 16 13 19 22 22 16 22 20 18 14 14 16 16 15 16 18 19 15 16 17 16 13 16 27 15 14 18 24 25 15 16 19 19 17 25 19 15 15 16 19 16 13 18 19 20 17 19 19 20 26 15 15 14 12 17 19 18 13 17 17 14 20 26 27 17 62 47 28 15 17 18 16 11 13 21 17 0 61 94 18 24 15 10 13 16 14 12 14 15 14 13 14 14 13 14 14 13 14 14 14 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 14 15 14 13 14 15 14 13 14 14 13 14 14 15 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 15 14 13 14 15 16 14 15 17 16 17 16 16 15 14 14 24 34 24 30 70 36 26 16 15 15 13 14 15 14 13 14 14 14 13 14 14 14 15 14 15 16 15 30 73 33 18 20 18 17 15 15 15 14 15 15 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 15 14 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13; 1HNMR: 74 74 m 2H | 69 69 m 2H | 42 42 s 2H | 40 39 m 2H | 39 38 m 2H | 38 38 s 3H | 30 30 m 2H | 26 25 m 2H | 19 17 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccc(-c2ccc3c(c2)NC(=O)C3=Cc2cc(C(C)C)c(OC)c(C(C)C)c2)c1
ir: 8 5 2 3 2 5 2 5 8 18 3 17 63 40 18 10 5 4 3 4 6 4 3 4 12 5 10 12 6 4 3 10 9 6 0 4 11 3 18 84 35 13 10 33 4 5 7 23 27 5 3 0 2 4 7 25 14 7 1 2 5 3 2 21 4 4 28 16 26 27 8 6 4 8 13 17 7 11 11 6 7 8 1 1 4 2 1 0 1 1 0 2 2 5 3 2 9 10 25 10 5 4 1 2 5 7 100 6 7 9 5 3 4 2 9 3 9 13 14 3 7 8 11 9 4 7 8 4 12 5 6 4 4 0 1 14 37 3 5 13 26 4 1 7 2 1 1 2 4 2 7 12 15 3 8 11 6 10 16 84 37 25 7 1 7 2 2 0 1 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 1 0 1 1 2 2 1 1 1 1 3 1 3 2 5 6 9 18 34 20 26 55 80 32 10 9 7 2 2 1 1 1 1 1 1 1 3 2 2 3 2 2 3 7 16 54 64 8 3 3 2 1 2 1 1 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 100 99 s 1H | 79 79 d 1H J 77 | 78 78 s 1H | 77 77 d 1H J 22 | 75 74 m 2H | 74 73 t 1H J 78 | 72 72 s 2H | 71 71 t 1H J 22 | 69 69 ddd 1H J 12 21 79 | 41 40 q 2H J 67 | 38 37 s 2H | 33 32 pd 2H J 10 70 | 15 14 t 3H J 67 | 12 12 d 12H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(F)c(F)c(Br)c1
ir: 25 24 26 24 51 11 15 7 5 4 4 4 4 7 11 5 3 6 7 5 46 58 90 40 8 8 7 6 5 3 2 4 4 9 60 16 73 1 1 6 4 0 2 5 3 1 3 5 3 2 4 7 4 0 3 5 7 9 4 6 3 0 34 26 5 18 78 28 36 19 9 7 3 3 5 8 6 1 4 4 2 3 7 6 2 2 4 4 1 2 4 4 2 2 5 6 1 2 8 58 28 34 10 2 4 2 38 11 42 3 4 3 2 4 9 4 11 44 100 52 17 5 0 5 49 40 15 12 11 5 5 3 3 5 9 8 7 4 3 3 3 6 5 8 40 38 35 5 3 4 3 2 2 4 4 5 5 7 3 1 4 11 12 3 3 4 3 1 3 3 2 1 2 4 2 1 3 4 3 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 3 3 3 3 5 4 4 6 6 10 27 21 96 65 10 8 7 2 1 4 5 3 1 3 4 3 1 3 4 2 1 4 4 2 2 3 3 2 2 3 3 2 2 3 3 2 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 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 2; 1HNMR: 80 80 dd 1H J 22 35 | 78 77 ddd 1H J 22 37 121 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CN(C2=C(C)C(=O)OC2)C(=O)C12CCN(C(=O)OC(C)(C)C)CC2
ir: 8 7 5 22 7 13 9 7 16 6 13 9 7 4 4 4 5 2 3 4 5 3 2 6 7 2 2 4 5 4 3 7 11 13 7 8 4 1 2 3 3 2 5 4 3 1 2 4 2 1 3 3 3 2 5 5 3 3 5 5 4 3 3 4 4 5 7 5 17 14 4 6 3 2 3 4 2 1 3 4 3 3 7 8 8 4 5 6 3 2 3 3 2 2 3 4 2 5 4 4 1 3 5 4 2 2 4 4 4 3 4 7 3 43 26 11 9 21 25 17 13 12 19 21 9 8 6 5 4 11 14 16 15 5 5 4 2 8 8 2 2 4 7 7 2 4 4 0 19 33 13 100 6 2 3 10 60 5 4 3 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 4 3 3 4 5 4 2 6 4 5 5 4 5 5 3 6 26 27 20 5 4 3 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 48 47 q 2H J 9 | 40 39 tq 1H J 16 33 | 39 38 ddd 2H J 40 68 126 | 37 36 dd 1H J 35 115 | 34 34 m 3H | 32 32 d 3H J 14 | 24 23 ddd 2H J 40 68 130 | 21 20 ddd 2H J 40 68 130 | 18 18 t 3H J 10 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C1Cc2cc(CCN3CCC(c4noc5cc(F)ccc45)CC3)sc2CN1
ir: 2 7 16 10 8 7 9 7 6 20 13 9 10 13 22 12 11 9 8 18 36 18 31 12 10 11 8 7 7 7 50 10 12 18 15 8 25 7 7 6 10 24 62 67 15 15 10 13 18 21 9 5 14 19 38 49 12 12 6 4 12 7 6 6 10 12 25 68 63 8 11 10 15 28 26 9 12 15 12 35 66 23 6 11 24 21 18 9 17 9 7 12 19 11 19 10 10 10 8 11 25 42 17 22 10 6 6 25 36 20 40 100 22 21 33 23 36 17 30 45 26 27 21 50 18 28 17 38 14 16 19 10 20 20 14 18 13 12 6 7 6 8 15 10 12 10 6 6 5 7 7 12 23 10 10 11 9 4 5 7 6 0 9 4 4 5 4 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 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 6 5 5 6 6 6 6 8 6 7 6 9 9 9 8 11 9 12 11 13 11 27 27 21 37 62 36 25 12 8 8 9 8 5 7 6 6 7 7 8 6 9 12 19 61 89 54 10 5 6 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5; 1HNMR: 80 80 dd 1H J 51 85 | 77 76 dd 1H J 22 121 | 73 72 ddd 1H J 22 85 105 | 63 63 p 1H J 9 | 42 41 dd 1H J 35 156 | 42 41 dddt 1H J 16 40 55 70 | 41 40 dd 1H J 35 156 | 33 32 dt 1H J 34 69 | 32 31 m 2H | 30 29 ddd 2H J 64 92 115 | 29 28 m 5H | 26 25 ddd 2H J 64 92 115 | 22 21 m 5H | 20 18 dddd 2H J 52 63 90 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)C(=O)Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1
ir: 1 7 11 7 8 5 6 3 1 4 2 3 7 9 1 1 1 1 1 0 1 2 2 1 1 2 2 2 1 8 5 7 7 30 2 2 4 8 9 34 20 37 12 8 4 5 4 1 1 1 2 1 1 2 5 1 4 1 10 0 2 4 1 3 3 3 7 2 10 7 4 10 4 3 3 2 22 17 6 3 3 12 18 2 4 23 5 2 13 14 3 2 3 1 2 2 3 2 2 4 1 3 3 32 6 4 2 2 2 2 2 6 18 1 1 3 1 2 3 6 5 1 2 3 2 2 3 3 4 8 4 1 1 4 6 23 31 2 0 1 1 1 3 29 11 15 35 100 17 1 2 2 8 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 1 1 2 2 2 2 3 4 17 14 34 70 14 3 2 1 2 2 3 20 4 1 1 1 1 1 3 2 1 1 0 1 1 2 2 9 32 20 8 2 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 2H | 73 73 s 9H | 69 68 d 1H J 9 | 56 56 s 1H | 46 45 s 1H | 40 39 p 1H J 41 | 38 38 d 2H J 7 | 30 29 ddd 2H J 59 86 121 | 28 27 ddd 2H J 59 86 121 | 21 20 dddd 2H J 42 59 86 128 | 19 18 dddd 2H J 42 59 86 128 | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CO
ir: 11 7 12 17 17 23 38 18 15 17 6 5 7 6 2 6 12 6 2 4 4 3 2 4 4 7 2 6 5 4 1 4 3 2 2 5 5 4 6 13 12 3 4 4 3 1 3 4 3 2 3 7 8 10 14 56 16 1 4 5 11 4 19 5 4 16 11 30 57 16 4 7 3 2 4 5 2 1 4 5 2 1 5 9 13 8 11 17 49 98 14 33 16 32 8 8 4 7 83 34 7 1 5 4 1 3 11 4 1 2 7 6 33 87 13 5 4 5 8 3 2 7 10 5 11 18 8 3 10 4 4 7 5 2 3 1 1 4 11 14 1 3 4 3 1 3 6 2 6 25 8 4 8 20 11 1 1 3 2 1 5 8 2 4 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 1 2 3 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 4 3 2 1 2 3 3 1 2 5 3 3 8 23 15 10 30 100 35 7 4 5 4 9 54 16 10 3 4 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 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 0; 1HNMR: 78 77 dh 1H J 9 18 | 77 76 m 2H | 72 72 d 1H J 111 | 67 67 d 1H J 122 | 48 48 dd 2H J 9 57 | 39 38 s 3H | 34 33 t 1H J 57 | 32 31 pdd 1H J 9 35 65 | 14 13 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](OC(C)=O)C(C)(C)C
ir: 28 12 4 4 11 16 4 6 9 2 3 6 6 3 18 7 5 3 3 9 6 2 2 7 4 2 1 4 16 6 10 6 6 3 33 13 5 3 4 5 4 1 2 5 3 3 15 9 8 4 4 6 3 0 3 8 12 2 4 5 3 1 10 9 7 6 9 12 4 1 4 5 3 4 5 11 9 4 9 20 5 25 5 5 2 4 10 13 6 5 3 10 6 5 8 5 6 6 17 10 6 11 13 5 3 3 9 15 5 4 8 7 4 5 5 5 2 7 11 10 8 19 19 7 7 13 15 5 5 7 10 10 9 9 6 4 6 5 4 3 4 6 5 100 17 3 4 6 56 9 4 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 2 2 4 3 1 3 6 4 2 2 6 5 2 7 6 6 5 6 16 26 11 6 5 3 3 3 4 3 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 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 3 2 1; 1HNMR: 52 52 dp 1H J 16 31 | 44 44 dd 1H J 34 61 | 37 36 m 1H | 37 36 s 3H | 36 35 ddd 1H J 38 63 115 | 32 32 dd 1H J 35 108 | 30 30 tdd 2H J 36 62 71 | 29 28 ddd 1H J 37 64 114 | 23 23 s 2H | 21 21 s 2H | 11 10 d 9H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)n1
ir: 16 15 15 13 12 7 7 7 7 8 8 7 8 8 6 6 6 7 6 6 6 6 6 7 6 6 6 6 6 7 7 6 14 10 9 20 19 42 11 8 7 6 6 7 7 6 7 7 6 6 6 7 6 6 6 8 7 6 6 6 7 7 8 10 9 15 20 12 9 6 6 6 6 6 6 7 7 6 6 6 6 6 6 6 6 6 6 8 10 7 7 7 8 23 9 7 7 7 7 7 6 6 6 6 6 6 7 6 7 12 7 6 6 6 6 6 6 6 7 10 9 9 9 7 6 7 7 9 13 13 8 7 6 6 6 6 6 6 6 6 6 6 6 7 7 5 27 90 4 15 11 20 7 10 8 12 6 10 7 0 100 7 6 9 7 5 6 7 6 5 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 7 7 7 12 7 15 16 10 8 7 7 7 7 6 7 6 9 7 6 7 6 6 6 6 6 6 6 6 6 6 9 15 13 7 7 6 6 6 6 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 92 91 s 1H | 80 80 d 1H J 20 | 76 76 d 1H J 22 | 40 40 s 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C(=O)NN)c1ccc(Cl)cc1
ir: 5 2 1 2 1 1 2 1 1 0 0 1 1 2 4 1 0 2 3 0 0 1 1 0 0 1 2 2 5 3 3 2 4 10 5 15 4 10 30 85 17 3 15 4 4 1 1 2 2 1 2 18 33 9 22 13 7 4 4 1 10 18 49 73 25 43 26 24 19 10 7 7 1 2 3 4 8 2 1 3 2 2 2 2 5 12 2 3 3 10 34 24 3 1 2 1 2 2 2 2 0 1 1 0 0 1 1 1 1 1 2 4 5 2 2 1 1 2 1 2 1 2 3 1 4 2 3 2 1 4 4 10 14 60 28 17 5 1 1 2 1 1 1 2 3 1 11 36 22 12 55 7 5 4 2 2 2 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 3 0 0 0 0 0 0 1 1 1 3 2 7 6 17 17 28 6 11 4 3 2 0 1 1 1 1 1 2 4 4 19 47 9 6 6 6 17 8 100 35 58 29 6 4 2 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 t 1H J 35 | 74 73 m 2H | 73 73 m 2H | 42 42 d 2H J 35 | 16 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCCCN1CCN(CCN2CCCCC2)C1=C(C#N)C#N
ir: 36 49 12 44 50 9 9 18 20 16 5 5 6 7 7 5 12 11 7 6 12 23 4 4 5 4 5 5 4 9 5 6 5 11 4 3 3 23 4 5 5 10 10 13 10 7 4 5 5 7 4 4 3 3 10 4 18 6 10 3 4 5 4 4 10 2 4 11 19 6 10 7 7 32 25 26 7 7 4 12 22 52 8 6 7 48 3 36 63 12 12 16 7 7 11 13 7 6 13 8 47 42 20 17 24 12 15 7 3 5 22 6 6 9 3 8 5 3 3 7 6 8 19 7 7 8 7 8 10 4 3 6 7 5 8 10 9 9 12 8 8 6 4 3 3 3 3 3 2 2 2 3 3 16 52 0 1 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 4 2 100 2 28 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 7 3 4 3 10 10 4 6 6 2 6 10 6 5 61 2 7 10 4 2 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 42 41 m 2H | 36 35 q 1H J 17 | 35 35 s 3H | 35 34 m 4H | 30 30 s 2H | 28 28 t 2H J 65 | 26 26 m 4H | 20 19 p 2H J 71 | 16 16 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2c(c1)CCCC(c1cc(O)ccc1F)=C2CCCCCCBr
ir: 1 1 1 1 1 1 1 3 3 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 2 1 1 1 2 2 8 13 21 5 0 1 1 1 1 1 1 2 2 5 9 4 5 1 1 1 2 0 7 3 6 5 13 30 5 9 6 1 0 2 1 6 17 5 5 10 2 2 1 0 1 1 1 1 2 3 1 1 1 3 3 1 2 2 1 1 2 1 1 2 2 3 3 1 1 1 1 2 4 1 0 0 1 1 1 0 1 1 1 0 1 1 1 2 2 1 1 2 1 1 2 1 1 1 5 2 3 2 1 1 1 0 0 0 1 1 1 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 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 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 2 3 2 1 1 1 1 1 4 3 5 27 10 3 1 1 1 0 5 100 27 3 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 72 72 d 1H J 95 | 71 70 m 2H | 69 69 m 1H | 68 67 m 1H | 67 66 dd 1H J 22 95 | 66 65 dt 1H J 9 20 | 34 34 t 2H J 47 | 31 31 tt 2H J 10 79 | 30 29 tt 2H J 10 75 | 28 28 td 2H J 8 90 | 19 18 m 4H | 16 15 m 2H | 15 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(CCl)c1
ir: 1 2 2 2 2 3 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 2 1 4 4 7 1 1 3 2 3 1 3 2 1 5 3 14 17 38 15 6 5 3 1 1 3 7 6 5 3 2 4 9 4 2 2 1 1 6 2 1 0 2 4 6 6 8 3 1 1 4 3 1 1 1 1 2 3 2 2 1 0 1 2 4 2 1 1 4 3 2 3 1 2 1 5 7 4 2 1 1 1 1 3 21 4 2 2 2 2 2 1 1 1 1 2 1 1 1 1 1 1 2 2 3 3 1 1 1 1 0 1 1 1 1 19 7 3 32 4 2 2 5 16 14 9 31 8 2 5 19 7 3 10 3 4 2 1 1 1 2 5 10 2 1 1 0 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 2 1 1 1 1 1 2 2 4 9 6 19 100 17 4 4 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 7 10 5 14 35 9 2 2 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 98 98 s 1H | 89 89 s 1H | 80 79 dp 1H J 9 20 | 79 78 m 2H | 76 75 m 2H | 74 74 m 2H | 74 73 m 3H | 69 68 ddd 1H J 11 22 75 | 46 46 d 2H J 9 | 39 38 m 4H | 34 34 m 4H | 23 22 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)c1ccc(OCCC2CCOCC2)cc1)C1C2CC3CC1CC(O)(C3)C2
ir: 3 2 4 2 4 3 1 4 3 3 2 6 3 3 4 3 2 2 4 4 2 2 1 4 3 5 3 3 5 4 3 2 8 3 6 9 5 10 8 15 20 4 13 3 2 2 2 2 2 2 2 3 4 3 7 18 24 14 5 9 2 5 4 6 4 4 10 8 9 8 10 12 13 9 36 36 11 17 27 9 5 7 3 4 2 8 4 4 1 1 2 3 11 9 13 5 3 4 4 3 4 11 14 9 5 10 7 5 3 9 9 5 6 7 6 3 6 5 4 9 4 14 23 13 32 26 21 12 10 10 12 4 7 3 6 5 4 3 3 8 6 3 4 3 12 26 15 4 7 20 19 22 21 7 2 1 1 2 2 0 1 2 10 2 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 1 2 2 2 3 10 4 2 6 6 7 6 9 14 12 14 10 8 29 6 39 31 33 23 11 4 6 4 23 100 31 8 2 2 4 5 2 2 2 3 1 3 4 6 3 4 3 3 3 2 2 3 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 m 2H | 70 70 m 2H | 40 40 t 2H J 58 | 38 38 tq 1H J 15 70 | 37 36 ddd 2H J 32 59 110 | 35 34 ddd 2H J 32 59 110 | 31 30 s 1H | 29 29 d 3H J 15 | 21 20 m 1H | 20 20 d 1H J 54 | 20 19 m 3H | 19 18 dt 2H J 56 128 | 18 17 m 2H | 18 17 m 4H | 17 16 m 5H | 16 15 dtd 2H J 32 60 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)c2ccccc2SN1F
ir: 3 5 9 12 10 7 18 6 2 5 8 3 2 7 8 7 10 10 8 3 1 6 7 2 2 6 7 2 3 6 6 2 2 8 7 3 8 8 6 0 4 17 100 87 6 5 5 3 5 8 6 3 5 7 4 2 11 16 4 2 5 7 4 2 7 9 5 9 8 7 4 2 5 6 4 8 9 8 4 8 15 9 4 5 14 18 4 3 6 6 2 3 6 5 2 4 7 6 5 4 7 6 27 32 10 8 2 6 8 5 1 4 8 5 1 5 34 23 10 7 11 7 2 5 7 4 3 13 14 12 11 9 7 3 3 9 30 21 8 13 10 5 3 6 7 3 3 11 15 10 4 7 6 3 4 6 6 9 8 7 5 2 4 7 5 2 4 7 5 1 4 7 4 2 4 7 4 2 5 7 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 6 3 3 6 5 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 7 4 2 4 7 4 2 4 7 4 2 4 6 4 2 5 7 4 2 5 6 3 2 5 6 3 2 5 6 3 3 5 6 3 3 5 6 3 3 6 5 3 3 6 5 2 4 7 6 11 5 6 5 2 4 8 5 3 6 11 17 35 32 21 33 71 74 8 7 5 5 6 5 3 7 7 4 3 6 7 4 3 5 6 3 3 5 6 4 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 3 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 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 5 5 3 4 6 5 3 4 6 4 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 74 73 m 3H | 73 73 ddd 1H J 21 60 75 | 17 17 d 6H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(Br)c2)n1
ir: 1 3 5 2 2 2 3 1 1 1 1 2 3 1 1 1 1 1 1 1 1 2 2 4 1 1 1 1 3 1 7 4 3 48 3 0 3 4 2 1 1 1 1 0 1 2 2 5 2 4 1 0 3 4 16 5 4 2 1 0 1 1 1 2 3 12 15 5 4 3 12 1 2 2 1 1 1 1 2 1 2 3 1 1 1 1 1 1 7 4 1 1 1 1 1 1 1 4 8 3 6 7 23 3 1 1 1 1 1 1 1 1 1 1 1 7 4 4 2 1 3 3 1 2 2 2 1 2 2 2 1 1 3 2 1 1 2 7 2 2 3 1 2 9 15 1 1 1 3 6 3 6 2 2 5 5 2 8 2 1 1 3 3 5 6 3 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 3 4 7 100 12 12 4 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 87 d 1H J 18 | 83 83 d 1H J 22 | 79 79 t 1H J 22 | 78 77 m 2H | 77 77 dd 1H J 20 107 | 75 75 ddd 1H J 11 21 79 | 74 74 d 1H J 26 | 74 73 m 1H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(SCCCC(=O)N(C)Cc2cc(C)ccc2OC)cc1
ir: 6 3 4 8 9 11 4 4 9 5 5 9 6 8 6 4 4 7 4 5 5 3 4 5 4 8 7 7 6 4 6 6 6 4 5 4 3 3 3 3 4 9 3 6 6 7 6 2 9 3 4 21 42 100 58 3 7 8 7 3 7 6 9 6 9 10 4 0 10 5 3 7 12 1 4 2 3 3 3 3 4 2 14 7 4 14 5 8 6 5 3 3 4 3 2 7 7 9 5 10 10 5 12 6 10 4 4 4 4 5 8 7 2 3 8 10 7 15 14 15 11 8 22 9 12 14 12 8 8 4 3 3 4 2 3 4 2 8 6 4 2 8 6 12 37 52 86 83 9 14 55 9 7 6 2 3 2 0 1 2 5 1 2 2 1 1 2 2 1 0 1 2 1 0 2 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 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 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 3 2 2 7 5 4 3 3 5 3 4 7 19 17 21 43 40 53 27 15 6 5 5 2 2 3 3 2 0 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 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 73 m 2H | 72 72 d 1H J 20 | 71 70 m 1H | 69 68 m 2H | 68 67 d 1H J 84 | 45 44 d 2H J 10 | 38 38 s 3H | 38 38 s 3H | 30 29 t 2H J 67 | 29 29 s 3H | 25 24 t 2H J 75 | 22 22 t 3H J 7 | 19 18 tt 2H J 66 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](CI)Cn1c(=O)ccc2ccccc21
ir: 8 4 1 4 6 3 0 5 13 8 4 8 11 14 3 5 7 3 3 11 12 3 2 5 5 2 2 6 5 2 2 11 7 3 3 6 5 2 3 8 11 17 16 13 9 18 23 100 36 8 10 9 6 5 6 8 4 2 4 6 4 2 4 8 3 1 4 6 3 1 7 9 15 16 10 6 6 2 4 6 2 2 6 5 3 2 6 5 3 3 5 6 18 9 9 13 20 9 8 6 1 3 7 6 13 13 14 7 5 8 9 6 5 4 6 4 1 5 8 7 23 11 10 7 2 6 7 6 7 8 8 4 5 13 22 12 9 7 9 5 5 5 21 13 7 8 6 10 4 10 19 42 11 11 8 14 9 29 25 8 4 7 6 2 30 15 4 1 4 6 4 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 4 2 3 5 4 1 3 5 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 3 4 4 2 3 5 4 3 4 5 4 3 4 7 7 4 4 9 8 7 6 11 16 12 28 21 45 68 18 13 7 4 7 7 4 2 4 6 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 5 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 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2; 1HNMR: 79 78 m 1H | 78 78 m 1H | 75 75 m 1H | 75 74 td 1H J 15 75 | 73 73 dd 1H J 15 75 | 66 66 d 1H J 93 | 40 40 dd 1H J 51 110 | 38 37 dd 1H J 51 108 | 32 32 dd 1H J 52 102 | 30 29 dd 1H J 52 102 | 23 22 ddtd 1H J 17 52 68 120 | 11 10 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc(F)cc([C@H]2CC(F)(F)CN2c2ccn3ncc(C(N)=O)c3c2)c1
ir: 2 2 1 3 5 3 0 2 4 3 6 7 3 4 13 20 7 10 9 4 8 11 6 5 12 5 5 4 4 8 2 4 3 3 1 3 6 11 13 28 9 11 2 22 25 11 2 0 1 2 5 1 4 4 22 4 6 3 3 1 1 3 1 2 2 3 3 7 4 3 3 3 7 15 13 3 6 5 4 1 2 1 1 1 1 1 1 3 4 1 3 2 3 5 5 2 3 7 6 3 1 1 9 2 1 1 1 2 2 3 3 2 3 2 3 2 4 5 9 3 7 3 3 5 5 3 5 5 3 1 5 4 5 2 1 1 1 1 1 7 0 1 1 1 3 17 7 5 10 8 5 5 2 3 2 1 11 100 77 32 4 0 2 2 3 2 5 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 3 2 2 2 2 2 1 8 11 8 14 4 6 11 14 5 2 2 2 1 1 1 1 1 1 1 1 10 5 2 1 1 1 1 1 1 1 1 2 3 26 33 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 m 2H | 79 79 m 1H | 77 76 dt 1H J 20 121 | 76 76 s 2H | 75 75 s 2H | 72 72 m 1H | 71 71 dd 1H J 13 66 | 68 68 d 1H J 13 | 51 50 dddt 1H J 9 17 35 53 | 42 40 dtd 1H J 17 128 147 | 39 38 dt 1H J 128 142 | 26 25 dtd 1H J 35 126 161 | 23 22 dtd 1H J 54 126 161
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)c1ccc(OCCCCCl)cc1
ir: 1 1 1 1 1 1 2 2 4 3 1 1 1 1 1 1 2 1 1 1 0 1 4 2 2 3 5 7 7 7 1 10 42 29 21 19 44 40 12 6 6 5 11 20 4 2 2 0 1 1 1 1 2 4 5 7 23 6 4 2 2 1 2 2 2 4 6 3 4 8 7 8 6 5 1 1 1 2 1 2 1 1 1 1 1 1 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 2 13 3 8 7 3 2 1 2 3 8 54 15 13 3 11 7 5 19 5 9 5 3 1 1 1 1 1 4 10 5 3 2 5 20 53 28 8 9 15 7 5 2 17 24 18 12 6 7 2 1 1 1 1 1 2 1 6 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 2 3 4 2 3 2 2 2 3 2 2 3 14 21 34 100 68 74 22 7 4 3 3 2 1 1 1 0 0 1 1 0 1 1 0 0 0 0 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 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 1; 1HNMR: 79 78 m 2H | 78 78 m 2H | 76 75 m 1H | 75 75 m 2H | 71 70 m 2H | 40 40 m 2H | 36 36 m 2H | 20 19 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=C(F)Cl)c1ccc(Cl)cc1
ir: 4 5 1 1 2 1 1 2 1 1 2 2 2 1 1 2 20 2 1 5 6 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 1 1 2 1 2 2 2 1 2 6 8 44 100 33 5 2 19 1 2 8 6 1 2 4 1 0 1 3 4 4 2 3 8 3 4 4 11 14 2 2 1 1 2 2 1 1 7 3 0 0 2 2 0 1 2 2 6 5 2 2 2 4 3 1 0 1 2 2 1 4 10 4 3 6 18 7 14 6 5 4 1 3 5 16 9 2 4 13 3 5 34 5 1 2 2 1 1 2 2 1 0 1 1 1 1 7 3 1 1 2 2 5 6 2 4 5 1 2 1 0 1 2 1 0 1 5 1 1 1 5 20 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 4 2 2 2 3 3 2 4 5 5 6 4 8 15 31 4 17 53 53 9 5 4 2 1 3 3 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 76 m 2H | 75 75 m 2H | 43 42 q 2H J 71 | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Sc1cccc[n+]1[O-])c1ccccc1
ir: 1 3 4 2 1 2 3 2 1 3 4 3 5 7 6 2 1 2 3 2 2 4 3 2 2 6 10 14 100 11 20 15 3 5 5 9 9 4 2 8 37 72 5 0 2 5 3 0 3 20 14 0 2 4 2 0 2 4 2 0 2 4 3 1 3 6 2 5 14 23 8 3 5 4 2 1 3 4 8 6 3 3 1 2 6 5 2 4 9 14 2 1 4 3 1 2 6 4 1 3 6 10 8 3 7 6 0 2 4 2 1 2 5 5 3 6 4 3 4 6 10 2 2 5 4 2 2 4 5 2 1 3 4 4 2 12 10 1 0 8 14 2 12 38 23 4 16 15 3 2 2 16 14 4 10 4 3 1 3 7 3 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 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 3 3 1 1 3 2 1 2 3 2 1 2 4 3 1 2 3 2 2 2 4 4 1 11 14 17 9 14 21 40 38 55 12 4 2 4 4 3 1 10 7 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 74 73 m 3H | 73 73 s 3H | 46 45 q 1H J 53 | 44 43 dd 1H J 15 54 | 38 37 dd 1H J 15 47 | 31 31 td 1H J 15 51 | 27 27 td 1H J 16 49 | 17 17 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(c1nc2cccnc2cc1-c1ccccc1)N1C(=O)c2ccccc2C1=O
ir: 2 5 3 4 3 4 3 3 3 3 7 6 3 3 3 4 4 3 3 19 9 3 3 3 4 3 3 3 3 6 10 11 7 5 5 7 37 7 6 16 41 29 15 0 3 5 7 6 3 4 3 2 3 6 3 2 4 4 3 4 4 4 7 6 10 4 6 18 14 11 5 3 4 4 3 3 3 4 3 3 4 3 3 6 10 4 3 3 4 6 3 5 6 3 3 3 3 4 5 3 3 3 4 28 5 3 4 7 5 3 15 4 4 7 4 8 8 3 3 6 5 5 5 4 3 5 12 4 8 3 4 10 51 6 42 7 3 4 8 3 19 5 6 4 4 18 9 4 4 3 34 5 6 11 63 6 16 4 4 3 5 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 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 4 3 4 5 8 9 5 11 100 26 17 4 5 4 3 3 3 4 5 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 88 88 m 2H | 83 83 dd 1H J 20 73 | 79 79 dd 2H J 31 50 | 78 77 dd 1H J 46 73 | 77 77 dd 2H J 31 51 | 77 76 m 2H | 75 74 m 2H | 74 73 m 1H | 58 58 q 1H J 46 | 18 18 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(F)(F)CO
ir: 7 16 9 5 2 4 8 3 2 3 8 11 7 9 5 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 6 5 1 2 2 1 2 2 2 1 2 3 3 1 2 3 2 2 5 7 4 2 2 2 6 1 2 1 4 2 5 2 1 1 2 2 2 1 2 11 3 5 4 2 3 2 3 6 12 11 13 23 22 43 30 47 100 40 11 5 1 1 4 3 1 1 2 8 7 6 11 1 0 1 3 2 0 2 3 2 2 3 4 2 1 2 2 2 2 2 4 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 3 2 1 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 3 2 3 2 1 2 2 2 3 3 3 5 1 1 2 2 3 4 43 8 18 5 3 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 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 40 39 td 2H J 69 170 | 39 38 ddt 1H J 40 66 79 | 38 37 t 2H J 130 | 33 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1ccc(C(OC)OC)c(Cl)c1N=C1CCCCS1=O
ir: 7 15 15 4 7 14 8 19 6 5 8 5 3 2 2 2 5 3 1 1 0 2 2 1 4 6 5 31 7 3 2 2 6 6 24 3 2 4 10 5 3 5 11 4 2 2 3 6 17 5 4 5 16 19 58 100 26 13 7 11 11 21 4 7 13 4 41 17 10 5 40 17 7 0 10 10 2 6 40 10 39 42 7 4 3 1 9 8 6 0 2 2 1 5 2 2 3 5 5 1 2 5 6 15 48 19 13 55 7 4 3 12 17 45 31 18 18 15 31 7 57 21 13 5 2 8 4 3 1 2 3 2 2 2 1 1 3 18 32 15 5 2 4 6 24 4 3 3 2 1 1 2 17 2 1 1 1 0 0 3 2 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 1 1 2 1 1 2 3 2 2 6 12 17 10 11 6 3 5 1 4 18 52 13 23 65 31 5 2 1 1 3 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 74 74 dd 1H J 7 79 | 72 71 dt 1H J 9 79 | 55 55 qd 1H J 15 27 | 48 47 d 2H J 10 | 34 34 m 9H | 31 30 m 4H | 20 20 m 2H | 19 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCc2cc(O)cc(OC)c2C1
ir: 3 2 2 2 2 3 2 2 2 3 3 4 2 4 2 3 3 2 2 6 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 5 1 1 2 2 3 2 1 1 2 2 1 2 1 1 1 5 2 2 2 8 9 14 6 3 3 4 3 2 1 3 2 2 2 5 30 100 33 6 10 5 6 4 14 4 2 1 1 1 1 1 1 1 5 2 5 2 7 3 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 4 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 14 1 1 1 3 9 12 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 7 4 1 4 24 3 1 2 2 1 0 3 27 41 6 2 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 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; 1HNMR: 78 77 s 1H | 63 63 dt 1H J 9 20 | 63 62 d 1H J 22 | 39 39 s 3H | 38 38 s 2H | 30 29 m 2H | 28 28 td 2H J 7 48 | 27 26 q 2H J 71 | 11 11 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C2CC(=O)Nc3c2cnn3-c2ccccc2CC)ccc1O
ir: 1 1 3 3 7 2 3 1 1 1 1 1 1 1 0 1 1 2 1 1 1 1 0 0 0 1 0 1 1 0 0 0 1 0 1 1 1 0 1 1 1 2 5 11 7 2 1 1 1 3 2 1 2 6 7 5 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 3 2 1 1 1 1 1 1 2 2 1 2 1 2 3 2 3 1 2 3 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 3 1 1 1 2 1 1 1 2 1 1 1 3 1 1 2 1 1 1 0 0 0 1 2 1 1 1 5 1 1 1 1 1 0 1 1 2 0 1 2 2 1 1 1 1 23 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 1 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 3 3 1 2 14 6 3 1 1 2 1 3 100 15 3 1 0 1 1 0 0 1 1 0 1 1 1 2 4 6 2 1 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 78 78 d 2H J 11 | 77 76 m 1H | 75 74 ddd 1H J 35 55 73 | 73 72 m 2H | 68 68 d 1H J 88 | 68 67 m 1H | 66 66 m 1H | 46 46 m 1H | 42 41 q 2H J 62 | 33 32 dd 1H J 69 166 | 30 29 dd 1H J 70 167 | 28 27 m 2H | 15 14 t 3H J 63 | 13 12 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1cccc(COc2ccc(-c3ccccc3OC(F)(F)F)cc2)c1
ir: 3 5 3 4 6 2 2 4 12 8 15 11 10 12 7 5 0 6 10 8 9 100 9 19 9 2 1 3 3 1 2 9 2 1 1 2 1 0 1 3 1 1 10 35 35 4 7 6 16 8 3 3 2 2 3 17 17 6 2 2 1 1 1 3 2 2 3 3 9 14 2 7 5 1 2 4 6 11 25 22 6 7 4 2 1 2 12 22 11 4 8 5 15 12 5 5 4 2 23 11 10 26 45 17 2 3 2 2 11 2 2 1 0 1 1 1 3 3 3 5 18 3 6 4 2 4 3 6 8 5 4 2 2 1 2 2 6 6 3 14 26 11 9 33 28 6 6 10 6 5 3 3 11 2 3 2 2 2 3 1 3 2 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 0 1 1 0 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 1 1 2 3 1 1 2 1 0 3 6 9 7 55 93 36 9 5 3 2 0 2 9 14 63 10 2 2 1 1 0 1 1 1 1 1 1 1 1 0 1 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 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 75 dd 1H J 12 77 | 74 73 m 5H | 73 72 m 2H | 72 71 m 2H | 70 69 m 2H | 51 50 t 2H J 8 | 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.
CC(C)(C)OC(=O)C(n1nc(I)c2cccnc21)C(C)(C)C
ir: 4 3 4 3 4 4 3 6 7 5 3 3 3 2 2 3 4 3 4 3 3 2 2 4 3 2 2 3 9 3 2 3 5 2 3 3 3 2 3 10 11 5 4 7 9 42 5 0 3 5 5 2 3 3 3 2 8 3 4 3 9 17 15 17 7 10 5 4 3 3 3 4 3 3 3 11 13 4 3 5 8 3 5 3 3 3 3 3 2 3 3 3 3 4 6 3 3 5 6 4 4 10 4 3 2 2 4 4 0 12 7 2 5 3 3 5 7 13 10 24 12 17 12 7 7 7 4 12 9 14 24 29 19 15 6 6 8 5 5 4 4 3 4 5 4 9 3 3 3 2 4 3 3 3 2 2 2 3 3 2 4 17 3 3 2 2 2 3 3 4 23 4 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 7 11 24 11 3 5 3 3 4 5 6 8 19 14 51 100 18 23 19 22 3 5 4 3 3 4 3 3 2 3 3 3 2 2 2 2 2 3 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 dd 1H J 20 35 | 84 83 dd 1H J 20 75 | 74 73 dd 1H J 34 76 | 51 50 dq 1H J 16 31 | 14 14 s 8H | 12 11 d 10H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOc1ccc(C)cc1Sc1ccc(CC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(Cl)c1
ir: 9 6 4 4 4 3 1 2 3 3 4 3 2 3 6 3 1 5 2 7 7 3 11 10 14 12 9 12 22 15 14 2 40 40 43 66 7 13 6 6 3 2 5 3 2 4 2 7 6 3 2 1 4 12 18 4 3 5 2 3 6 3 3 2 2 1 18 16 12 5 4 7 4 5 3 3 4 4 4 4 3 2 5 2 2 3 3 3 4 5 15 23 7 15 26 8 14 68 33 40 20 12 10 3 4 4 4 4 5 4 5 4 2 2 2 1 1 2 3 4 9 3 4 2 7 5 4 4 3 8 8 4 2 3 3 1 1 1 1 2 3 5 7 45 71 16 2 3 17 39 59 6 8 3 2 1 1 2 1 1 1 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 3 2 2 3 3 2 1 2 1 1 3 4 13 14 21 24 56 18 31 44 14 20 24 16 8 8 2 4 3 1 0 1 1 0 0 1 1 0 2 5 8 100 14 2 3 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 0 0 0; 1HNMR: 72 72 d 1H J 10 | 72 71 dd 1H J 21 76 | 71 71 d 1H J 21 | 70 70 m 2H | 69 69 d 1H J 85 | 56 56 s 1H | 49 49 s 2H | 41 40 t 1H J 60 | 38 37 dd 1H J 60 115 | 36 35 dd 1H J 59 114 | 35 35 s 3H | 29 28 dtd 1H J 8 80 161 | 28 27 dtd 1H J 9 81 163 | 24 23 t 3H J 6 | 21 21 dt 1H J 81 141 | 19 18 dt 1H J 80 141 | 14 14 s 8H | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccccc4)cc3c2c1COC
ir: 7 6 6 4 1 3 6 5 5 3 4 11 36 6 13 8 3 2 2 2 4 1 2 3 3 5 3 4 3 9 18 4 4 2 1 2 3 3 4 3 82 16 5 13 6 2 8 6 2 11 3 1 5 14 13 4 3 2 2 1 2 2 3 5 2 3 10 4 8 32 5 15 3 6 20 2 4 11 23 5 2 2 1 1 1 1 1 6 7 5 4 16 3 2 2 1 1 2 4 2 2 4 22 12 7 2 1 4 4 5 4 16 17 14 5 3 3 2 5 2 7 3 2 4 10 8 9 7 8 10 4 2 3 6 10 17 5 2 1 3 5 10 9 18 4 100 5 4 4 1 4 4 14 3 22 10 3 0 1 2 1 1 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 1 2 2 1 2 1 2 1 3 4 5 12 16 11 58 17 24 8 2 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 3 4 4 2 11 15 5 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 99 s 1H | 88 88 s 1H | 77 76 m 2H | 74 74 ddt 2H J 9 14 67 | 74 73 m 2H | 73 73 m 1H | 69 69 dd 1H J 27 71 | 52 52 s 2H | 51 50 t 2H J 9 | 44 43 q 2H J 64 | 35 34 s 2H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C)c(I)c1F
ir: 4 10 18 28 8 7 7 3 2 3 5 3 3 3 4 3 2 5 11 26 12 5 4 3 2 4 4 3 3 5 4 2 2 3 3 3 4 3 13 5 3 4 3 2 3 4 4 2 3 4 3 3 12 53 33 3 5 5 3 7 19 5 3 2 3 4 4 4 10 17 5 3 4 5 3 4 8 5 3 3 12 11 4 3 4 4 2 2 4 4 2 4 7 4 2 3 4 4 2 2 4 4 6 9 5 3 1 3 5 3 1 3 6 3 0 60 100 9 12 7 6 4 2 4 5 4 20 18 7 5 4 4 4 3 4 5 24 15 3 3 5 4 6 12 27 2 2 4 6 5 4 8 8 10 7 4 4 2 3 51 17 3 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 2 3 3 2 2 3 3 2 2 3 3 2 2 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 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 4 3 3 4 3 2 3 4 3 3 4 7 6 11 9 7 17 30 27 8 6 2 3 4 3 3 4 4 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 78 78 dd 1H J 53 79 | 70 69 dq 1H J 9 79 | 39 39 s 3H | 24 24 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1
ir: 4 3 2 6 6 8 5 10 13 10 8 7 3 4 2 6 6 4 6 2 7 7 20 30 13 4 5 8 13 3 59 51 11 13 7 6 12 2 14 3 9 3 3 2 4 4 6 4 6 10 40 11 12 9 29 26 23 12 5 4 6 5 4 2 3 5 3 4 16 7 6 8 13 46 11 5 3 2 4 4 2 3 2 2 5 13 5 4 3 4 14 17 6 3 2 3 18 5 5 55 7 3 2 4 4 13 9 6 4 2 3 3 3 2 2 4 9 10 12 6 5 6 6 5 8 9 1 8 2 2 2 2 4 2 9 11 15 14 26 16 8 2 2 4 24 22 18 24 21 47 21 10 7 7 8 25 57 14 16 41 18 0 3 12 25 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 2 2 2 6 9 10 6 15 21 13 10 3 4 5 2 1 2 2 2 1 2 2 2 1 3 3 2 6 6 10 4 63 98 100 40 11 7 5 7 4 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 m 1H | 84 84 s 1H | 80 79 s 1H | 75 74 m 2H | 62 61 d 1H J 73 | 61 60 s 1H | 53 52 p 1H J 67 | 19 18 m 4H | 11 10 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(OCc2ccccc2)c(-c2cccnc2)n1
ir: 3 3 3 5 0 5 10 10 10 2 1 1 2 2 3 2 5 4 4 2 1 2 3 4 2 2 8 5 5 9 14 12 20 12 58 11 6 36 53 28 100 7 6 8 4 2 2 1 1 1 1 2 5 33 7 7 11 23 3 4 2 2 5 12 8 9 10 12 17 41 5 3 2 2 3 13 6 5 8 3 2 2 3 1 1 3 1 4 8 17 3 6 5 2 4 3 1 5 8 3 2 1 1 1 4 5 2 1 2 2 3 3 6 55 14 6 4 4 2 11 25 9 3 4 3 2 5 6 9 3 3 2 3 3 24 17 79 49 0 15 9 10 9 11 5 15 2 7 9 3 31 17 7 2 28 1 3 20 21 8 18 2 2 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 1 3 3 2 1 4 3 6 4 19 11 47 88 37 17 25 5 5 4 4 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; 1HNMR: 90 89 d 1H J 20 | 87 86 dd 1H J 17 48 | 82 81 dt 1H J 18 84 | 75 74 dd 1H J 48 85 | 74 73 m 4H | 73 73 ddt 1H J 15 60 78 | 72 71 m 2H | 52 51 t 2H J 9 | 26 26 d 3H J 6
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1(COc2ccc(Br)cc2)COC1
ir: 2 2 2 2 2 2 2 2 2 3 3 5 3 2 2 2 2 2 2 2 2 4 3 4 5 18 11 10 5 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 7 4 5 2 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 2 2 3 4 4 6 6 3 3 3 3 2 2 2 2 3 2 2 2 3 2 4 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 7 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 3 4 4 5 2 2 4 2 0 3 7 25 100 18 0 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 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 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 1 2 2 2 1 2 2; 1HNMR: 74 73 m 2H | 69 68 m 2H | 43 43 s 2H | 42 42 d 2H J 103 | 39 39 d 2H J 102
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn2c(O)cc(O)nc2c1C
ir: 2 2 2 2 2 7 4 5 3 3 3 4 4 8 5 2 6 9 22 77 100 11 2 4 2 2 2 2 2 4 8 44 53 13 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 3 2 6 3 2 2 2 2 2 2 3 4 6 3 4 5 5 19 20 15 11 12 20 13 6 6 4 7 9 6 4 2 2 3 3 8 8 4 2 4 3 3 2 1 2 2 2 7 6 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 4 2 3 3 2 2 2 2 2 6 9 2 4 13 16 3 3 10 2 2 4 4 1 2 2 5 2 2 2 1 1 2 2 2 2 10 10 1 2 3 33 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 14 5 1 2 3 4 18 29 69 40 6 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 60 60 s 1H | 24 23 s 4H | 23 23 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCc1cncc(CBr)c1
ir: 3 4 5 5 4 7 7 4 3 4 4 3 2 3 4 3 3 10 4 3 3 3 4 3 3 4 4 5 4 6 23 7 7 8 100 53 42 7 5 4 5 6 6 17 4 5 4 3 3 4 4 3 4 5 33 5 4 8 5 5 5 4 5 2 8 4 5 13 21 5 3 3 4 4 3 3 4 26 8 4 5 5 3 3 5 6 11 7 5 40 8 4 4 5 3 4 4 3 3 3 4 4 3 4 5 4 4 6 7 6 8 6 57 20 0 5 6 4 4 16 9 22 14 41 14 8 7 12 12 9 6 5 4 3 3 3 4 3 3 3 4 3 3 4 3 3 3 3 4 7 71 22 7 5 4 10 36 13 10 8 5 3 4 5 5 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 5 5 13 6 6 4 4 4 5 15 49 42 18 9 10 21 12 8 5 4 5 4 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 85 84 dt 2H J 9 18 | 76 76 tp 1H J 9 17 | 45 45 t 4H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1ccc(Cc2nc3n(-c4c(Cl)cccc4Cl)[nH]c(C(C)C)c-3c(=O)n2)cc1
ir: 4 6 4 4 2 4 7 5 6 3 2 6 5 8 12 10 3 3 3 2 6 4 4 8 5 11 11 9 7 9 3 7 7 2 2 2 1 2 2 3 2 3 4 4 5 8 23 31 19 31 11 6 43 19 10 10 21 31 10 16 4 2 2 4 5 7 2 2 2 8 3 2 3 4 9 7 3 3 2 1 2 4 3 1 2 1 2 2 3 2 8 4 11 14 10 7 7 9 8 11 9 15 13 4 3 11 5 8 8 5 6 7 5 3 5 13 8 12 7 8 10 7 12 6 3 6 5 11 9 11 4 6 30 5 4 7 10 7 20 8 3 10 21 16 26 24 3 3 25 5 3 6 5 0 100 9 35 63 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 3 3 2 3 3 1 4 4 4 4 2 5 6 7 26 27 4 31 68 11 8 4 4 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 7 11 25 7 5 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 74 73 d 2H J 85 | 72 71 m 5H | 42 41 m 4H | 36 36 d 2H J 7 | 28 27 hept 1H J 62 | 13 12 t 3H J 66 | 11 11 d 6H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccccc1/C=N/[C@H]1CCNC1
ir: 4 3 3 3 3 3 5 2 1 2 7 5 4 9 12 5 6 11 7 2 1 2 2 2 1 2 3 1 4 3 3 2 2 3 3 4 2 6 6 5 4 3 13 18 5 6 5 11 5 5 4 1 2 4 6 2 3 9 5 0 5 7 22 15 11 13 12 3 7 3 3 2 5 5 6 3 3 6 4 1 2 2 8 0 2 2 0 1 3 3 2 1 4 5 2 1 5 5 65 67 4 3 8 7 6 19 41 49 24 32 12 18 19 11 3 15 5 7 2 4 4 4 5 4 6 5 2 2 5 2 1 2 2 1 1 3 5 100 10 6 5 2 1 2 1 1 1 3 6 9 8 2 2 2 5 2 2 2 3 2 3 3 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 3 3 2 4 3 3 6 5 7 21 37 27 6 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 3 9 10 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 d 1H J 20 | 81 81 dd 1H J 13 64 | 77 76 dp 1H J 14 106 | 76 75 ddd 1H J 14 63 106 | 75 74 td 1H J 14 64 | 36 36 m 1H | 31 30 ddt 1H J 18 37 130 | 30 29 m 2H | 28 27 dt 1H J 42 113 | 23 23 ddd 1H J 17 40 59 | 20 20 dddd 1H J 18 39 48 123 | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CN1C(=O)[C@H](N)[C@H](c2ccccc2)Sc2cc(Cl)ccc21
ir: 3 2 1 1 3 2 0 4 10 8 2 6 8 4 3 4 3 2 5 4 3 3 1 4 6 3 3 5 5 5 8 5 5 3 5 5 3 2 3 5 3 4 11 2 8 2 3 4 4 2 2 2 2 2 4 5 2 1 1 2 2 5 9 35 35 2 9 9 9 4 4 3 1 1 3 4 2 2 4 6 10 9 9 5 4 2 4 3 6 2 2 2 1 1 3 2 1 1 3 2 0 2 3 2 1 3 4 3 1 2 3 2 1 3 3 2 0 2 8 10 5 3 3 2 1 2 6 2 1 4 6 6 15 14 28 15 3 3 2 2 1 2 3 8 5 6 7 3 2 8 6 12 9 3 2 1 3 11 19 4 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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 2 5 2 3 3 3 2 5 7 27 5 2 3 3 2 1 2 2 1 1 2 2 2 3 8 11 5 8 3 2 6 100 67 6 3 2 2 1 3 29 36 11 0 1 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 74 73 m 5H | 73 72 d 1H J 84 | 72 72 m 2H | 69 69 s 2H | 47 47 dd 1H J 8 62 | 46 45 m 1H | 45 44 d 1H J 151 | 44 43 d 1H J 150 | 30 30 d 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ncc2c(n1)N(c1cccc(CO)c1)C(=O)N(c1ccccc1Br)C2
ir: 3 8 13 7 3 10 9 10 3 7 29 17 9 5 3 3 3 3 4 3 1 3 5 3 6 7 3 3 4 8 4 2 11 7 10 4 7 16 8 7 8 22 68 30 5 8 27 8 5 18 8 7 9 45 5 3 6 10 5 4 4 4 5 2 6 4 6 21 11 16 4 0 15 4 4 2 4 6 6 4 8 8 7 6 23 19 46 22 11 18 9 5 5 6 4 3 4 3 5 2 9 2 2 4 10 25 10 4 3 4 6 2 6 3 1 2 2 4 2 5 4 7 2 3 5 5 4 11 16 5 6 3 3 2 9 3 6 3 1 3 5 20 30 3 2 3 2 10 6 49 5 3 7 100 4 16 7 10 17 22 3 12 2 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 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 0 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 1 2 2 1 1 3 2 1 1 3 2 1 2 5 12 2 2 3 2 2 2 3 3 1 2 4 5 7 9 8 22 42 22 7 4 1 2 4 6 22 6 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 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 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 2 3; 1HNMR: 85 84 t 1H J 9 | 75 75 dd 1H J 15 72 | 75 74 ddd 1H J 12 22 75 | 74 73 m 2H | 73 73 m 1H | 73 72 td 1H J 15 73 | 72 71 ddd 1H J 15 74 82 | 71 71 ddq 1H J 10 20 81 | 52 52 d 2H J 7 | 46 45 dt 2H J 9 56 | 32 32 s 2H | 25 25 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCCc1c[n+]([O-])cc2cc(Cl)ccc12
ir: 2 10 5 2 2 6 15 3 39 5 4 3 3 3 8 2 5 4 3 2 1 7 4 1 1 3 4 9 4 2 2 2 3 3 2 3 9 11 31 1 37 18 7 2 3 6 14 16 8 11 6 6 8 13 3 89 33 9 4 4 4 5 4 1 4 5 3 13 30 17 7 2 3 3 11 2 3 3 1 1 3 3 2 1 2 3 2 2 3 4 4 5 17 21 3 2 5 3 2 5 3 4 6 30 70 7 3 47 12 7 11 3 4 6 8 9 9 5 6 19 7 2 4 3 3 4 1 3 3 2 1 3 7 3 4 4 3 2 1 2 3 1 2 4 4 11 8 6 30 42 11 7 8 3 4 16 26 2 4 5 18 11 2 4 2 1 3 11 2 0 1 3 2 0 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 1 2 3 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 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 2 2 3 1 1 3 2 1 1 3 21 2 4 4 6 6 4 3 2 4 3 5 8 20 32 60 68 100 14 26 8 3 5 4 2 1 3 3 2 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 97 96 tt 1H J 10 60 | 51 50 d 1H J 16 | 42 42 s 1H | 36 35 t 1H J 14 | 31 31 dd 1H J 15 62 | 31 30 d 1H J 62 | 25 24 td 2H J 59 83 | 21 20 td 2H J 9 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1
ir: 21 8 7 17 23 16 1 12 44 21 54 36 12 10 8 3 6 6 5 3 3 1 2 2 8 11 7 3 4 5 14 8 2 4 2 3 2 2 5 7 4 2 10 4 2 2 4 9 5 1 2 3 6 3 7 8 5 5 3 4 2 6 5 5 11 10 26 22 5 6 8 8 17 4 10 12 24 7 4 5 4 4 11 20 54 37 14 3 9 13 3 2 2 4 5 8 6 10 47 13 9 9 5 8 17 13 10 6 6 6 6 9 20 35 36 22 13 18 32 15 3 35 55 30 15 5 9 3 9 21 15 28 16 19 12 12 29 14 9 10 10 6 1 12 84 16 4 4 3 4 11 86 3 5 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 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 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 1 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 3 2 5 7 3 5 9 8 7 12 8 8 7 5 22 40 100 28 8 2 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 42 41 q 2H J 64 | 34 33 m 4H | 28 27 m 4H | 27 26 m 1H | 24 23 p 1H J 70 | 20 19 dddd 2H J 57 71 82 129 | 18 16 m 4H | 15 14 m 2H | 15 14 s 9H | 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.
Cc1cn([C@@H](c2ccccc2)[C@H](O)CN)c2ccc(Cl)cc12
ir: 2 2 3 1 1 1 2 3 2 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 0 0 0 1 0 1 1 2 1 1 1 0 11 2 1 2 7 4 3 1 1 2 1 4 2 2 2 3 2 4 5 1 1 1 1 1 2 12 3 0 1 5 3 10 4 2 11 15 9 3 3 3 5 2 4 4 5 8 7 1 1 1 1 1 10 7 20 25 0 2 2 1 2 3 1 2 1 1 0 2 5 2 1 1 4 1 0 0 1 1 0 1 0 1 2 2 1 4 3 3 4 1 5 2 4 9 8 12 6 21 5 13 3 1 1 1 1 1 1 19 4 2 1 1 0 0 0 3 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 0 1 1 1 1 0 1 1 1 1 3 7 12 30 7 7 5 4 2 1 8 100 17 1 1 2 3 13 11 9 3 4 1 3 4 28 20 4 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 25 | 75 74 d 1H J 79 | 73 72 m 6H | 71 71 d 1H J 9 | 52 52 m 1H | 41 41 tt 1H J 41 52 | 39 38 d 1H J 49 | 31 31 dtd 1H J 40 59 118 | 29 28 m 1H | 24 24 d 3H J 7 | 23 22 t 2H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)OC
ir: 36 50 46 15 13 16 6 5 1 3 2 7 6 6 14 4 8 5 4 1 1 3 3 14 15 2 1 1 1 1 2 2 1 2 1 1 1 5 1 1 1 1 1 1 1 3 4 3 1 2 1 2 2 2 2 0 1 2 2 0 3 3 4 15 7 3 5 5 11 7 30 9 11 3 4 10 5 3 2 3 3 2 4 3 5 3 8 2 2 1 1 1 2 2 1 3 54 26 26 11 5 5 6 6 7 2 5 6 14 24 25 11 55 10 8 9 25 19 28 58 14 14 14 11 4 6 10 12 12 12 8 6 6 7 8 3 2 5 5 9 10 7 9 11 100 14 3 4 2 0 0 2 2 2 1 1 1 0 1 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 6 6 1 2 5 8 10 7 11 9 6 20 7 29 13 41 22 9 4 2 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 36 36 s 5H | 31 30 m 2H | 26 25 m 2H | 23 23 ddq 2H J 10 78 152 | 17 17 d 6H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc(Oc2ccccc2)c(C(=O)O)c(Oc2ccccc2)n1
ir: 2 0 0 1 2 2 1 4 6 4 1 2 3 3 4 5 8 3 15 19 100 9 12 6 7 4 3 4 3 4 3 4 4 1 2 4 8 5 3 5 19 29 9 6 3 2 4 2 5 2 51 64 4 3 1 0 3 4 0 0 1 1 0 0 1 1 2 9 6 11 6 1 2 3 3 2 3 7 15 4 7 5 3 2 7 3 2 1 1 1 0 1 1 0 0 0 0 0 0 1 1 8 15 1 0 1 1 0 0 1 0 1 1 1 3 1 1 1 2 1 2 2 7 3 0 1 1 0 0 1 0 1 1 2 3 16 1 4 4 6 27 71 5 31 16 10 3 3 14 47 36 68 92 57 12 4 1 1 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 4 2 2 19 31 22 8 5 4 1 1 1 1 33 25 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 m 4H | 72 71 m 4H | 70 70 tt 2H J 13 72 | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(C=O)CC1CCC(Nc2nc3c(s2)CCOc2ccccc2-3)CC1
ir: 3 5 4 4 2 5 7 5 3 2 4 1 2 2 4 2 2 3 5 3 3 4 7 2 2 5 2 8 9 24 5 3 3 8 3 5 2 4 8 9 31 47 57 71 24 4 20 2 3 2 2 6 10 5 5 2 8 7 5 2 3 2 6 6 11 7 5 3 3 11 42 9 5 10 11 14 6 5 3 9 3 2 2 1 6 18 2 2 2 6 7 9 4 3 2 3 7 5 7 31 16 8 9 17 19 49 53 16 50 100 32 42 49 21 17 7 11 17 48 13 8 9 18 21 10 7 11 7 6 2 5 7 5 4 2 3 8 25 20 4 7 4 2 6 5 9 2 4 5 6 2 2 2 0 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 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 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 8 7 3 8 18 20 17 16 27 13 14 19 15 17 29 87 63 15 84 22 8 6 1 2 4 1 0 3 2 1 0 2 2 1 0 3 5 72 13 3 3 1 1 2 2 1 1 1 1 1 1 1 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 78 78 p 1H J 9 | 76 76 dd 1H J 13 86 | 73 73 td 1H J 14 77 | 73 72 ddd 1H J 12 75 86 | 71 70 dd 1H J 12 78 | 51 50 d 1H J 60 | 44 44 t 2H J 62 | 39 38 dp 1H J 48 62 | 32 31 m 4H | 31 31 t 2H J 62 | 20 18 m 3H | 17 16 dddd 2H J 55 62 82 138 | 16 15 m 4H | 15 14 dddd 2H J 57 64 82 138 | 9 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1C[C@@H](CN(C(=O)OC(C)(C)C)C(N)=NC(=O)OC(C)(C)C)CN1C(=O)OC(C)(C)C
ir: 8 11 8 14 12 12 9 8 14 18 13 15 10 10 14 9 8 3 7 5 3 4 4 4 5 5 4 5 4 4 6 7 10 10 7 8 9 7 11 14 5 7 8 14 7 10 6 8 11 22 8 7 9 5 8 10 11 12 32 17 14 16 14 7 9 4 5 6 8 6 5 5 5 7 5 6 8 8 6 4 3 3 3 3 3 5 12 7 3 4 4 4 5 4 5 7 9 5 8 4 4 4 14 7 17 5 7 10 12 16 7 9 6 10 13 17 16 12 9 11 8 9 8 8 7 7 6 11 10 18 26 25 100 9 5 6 6 5 16 23 61 29 25 11 13 11 23 77 23 15 30 56 83 17 6 5 5 3 3 5 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 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 4 6 6 5 5 5 5 4 6 6 6 4 10 10 17 56 18 5 3 3 4 3 2 3 4 2 2 3 3 3 2 4 6 6 3 8 20 54 8 5 4 2 2 6 6 0 3 76 63 14 7 1 3 4 3 2 2 4 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 78 78 s 2H | 44 44 dddd 1H J 8 18 55 73 | 38 37 m 1H | 37 36 m 1H | 37 37 s 4H | 35 35 m 1H | 35 34 ddd 1H J 8 54 116 | 27 26 dtdd 1H J 8 35 54 72 | 22 21 m 1H | 20 19 m 1H | 15 15 s 8H | 15 14 d 17H J 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)C1CN(C(=O)OC(C)(C)C)c2cc(Cl)ccc2O1
ir: 4 6 6 17 10 5 3 4 8 16 9 5 3 4 1 2 2 3 3 5 7 13 4 2 1 1 1 1 2 6 3 2 5 10 3 3 4 3 2 1 1 2 1 0 1 2 5 2 3 3 3 0 4 20 37 12 32 7 3 4 4 3 5 2 2 5 8 4 9 12 9 2 3 2 1 3 2 2 3 12 24 13 3 1 7 20 41 14 4 3 6 2 1 2 2 2 12 6 6 5 5 5 2 2 4 4 5 4 3 7 9 5 2 2 1 2 5 3 3 11 4 7 8 14 7 9 5 7 3 7 4 5 6 5 5 3 3 5 12 3 2 2 2 3 11 3 5 32 9 70 1 14 11 4 15 3 1 1 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 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 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 2 2 2 2 2 4 3 4 3 3 3 6 19 17 6 14 100 20 7 4 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 75 74 d 1H J 22 | 72 71 m 3H | 70 70 m 2H | 69 69 d 1H J 87 | 53 53 t 1H J 42 | 45 44 dd 1H J 42 121 | 43 42 dd 1H J 43 122 | 40 39 qdd 1H J 27 55 81 | 37 35 m 4H | 32 30 m 2H | 30 29 dd 1H J 27 106 | 27 26 dd 1H J 54 107 | 14 14 s 7H | 13 13 d 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nn(Cc2ccccc2F)c2nccn12
ir: 2 2 0 8 9 4 4 5 3 3 1 3 3 1 2 2 6 10 1 2 2 4 0 3 3 0 0 6 7 2 0 2 3 1 1 7 3 2 10 28 29 43 82 100 18 6 13 4 3 3 4 6 5 3 4 2 2 1 4 3 2 2 2 5 1 0 2 5 3 4 3 4 3 7 8 11 7 4 3 6 9 9 5 8 12 17 4 9 13 13 35 62 43 9 4 3 2 2 2 3 8 13 7 6 5 11 11 5 4 4 5 3 16 22 35 17 20 24 38 5 7 6 14 7 10 7 5 3 2 3 2 3 2 10 16 4 35 14 7 1 32 27 17 23 8 2 2 19 13 9 2 0 1 2 2 1 1 2 3 1 1 2 1 0 1 2 1 1 4 3 2 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 3 5 5 5 6 9 9 7 11 10 9 6 8 4 7 67 46 35 26 86 72 19 15 5 6 2 2 2 2 1 2 3 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 81 81 d 1H J 42 | 76 75 d 1H J 42 | 74 74 dddt 1H J 9 18 36 90 | 74 73 m 1H | 72 71 m 2H | 55 54 dd 2H J 8 36 | 44 44 q 2H J 71 | 14 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@@H]1CC[C@@H](N(CC2CCCC2)CC2CCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1
ir: 2 2 7 2 2 3 2 0 1 1 1 1 1 0 1 1 0 3 2 9 2 1 1 1 1 3 2 4 1 1 0 0 0 1 1 0 0 0 1 0 0 1 2 2 1 1 1 1 1 1 1 2 2 4 10 11 9 1 2 2 1 3 3 3 6 2 4 4 1 2 2 2 1 1 3 3 1 1 1 2 2 0 2 1 5 20 10 6 2 4 5 2 1 3 5 3 0 1 32 7 10 6 7 3 5 11 5 11 9 12 5 7 100 6 3 3 3 2 2 4 6 7 5 5 5 8 5 4 4 3 2 1 3 2 1 2 3 2 2 1 1 3 5 6 12 17 5 3 4 15 1 1 1 4 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 3 2 4 3 2 3 3 7 3 10 9 7 5 30 4 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 0 0 0 0 0 0 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 dq 2H J 14 77 | 73 72 m 2H | 37 36 s 2H | 30 29 ddd 1H J 38 66 88 | 29 28 m 1H | 25 24 m 1H | 24 23 d 4H J 52 | 23 22 dd 1H J 84 163 | 21 20 m 1H | 20 19 dt 1H J 59 138 | 18 15 m 12H | 15 13 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCc1sc2c(F)cccc2c1Cl
ir: 2 1 1 1 1 1 1 1 0 1 1 1 1 2 1 0 1 1 1 1 2 2 1 1 0 0 1 1 1 1 1 2 2 1 5 4 4 1 4 7 3 3 13 38 12 20 34 39 22 9 8 3 5 3 3 1 3 2 6 6 4 15 9 3 1 2 3 3 2 1 1 1 2 7 10 11 12 5 15 13 6 3 4 1 2 4 2 1 1 1 0 1 1 2 2 2 2 2 2 1 1 1 0 1 2 0 3 3 3 11 17 38 100 20 4 5 3 2 2 6 6 2 2 7 4 1 1 2 11 5 7 2 6 6 9 3 1 1 12 11 6 11 5 5 1 1 2 1 1 0 1 2 1 0 1 9 7 8 3 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 3 6 9 10 12 25 10 2 1 2 3 1 0 1 2 2 2 3 3 2 4 18 18 34 33 55 10 3 2 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 7 72 | 74 73 td 1H J 52 74 | 71 71 ddd 1H J 7 75 101 | 45 44 h 1H J 43 | 40 40 d 2H J 42 | 25 24 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2ncc(C#N)c(Nc3ccc(C)c(O)c3)c2cc1OC
ir: 10 8 3 7 8 8 5 5 6 8 5 10 7 12 14 7 13 4 6 7 11 7 4 5 11 9 6 5 6 3 3 3 3 3 4 7 5 4 4 3 3 1 2 3 7 5 3 4 2 2 13 29 7 0 23 12 7 4 4 4 6 5 6 5 5 4 7 23 8 11 13 11 6 6 4 3 18 74 20 4 12 9 12 11 2 2 3 6 3 3 3 22 9 8 5 7 4 3 3 11 1 2 3 17 5 3 6 33 6 3 2 3 6 6 5 4 7 3 7 4 5 4 3 7 7 4 4 3 4 5 4 23 4 2 1 2 2 2 2 2 3 15 3 3 10 2 3 2 8 7 8 6 16 9 20 5 21 20 44 9 3 4 3 9 9 4 2 5 3 2 2 1 2 3 2 1 2 2 2 1 2 2 4 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 4 3 2 2 3 3 2 3 2 3 2 2 3 6 2 4 3 4 3 3 3 2 3 3 5 7 6 34 20 27 11 4 2 5 8 2 100 42 0 4 7 4 1 2 4 3 3 3 12 15 18 19 44 81 11 4 7 4 5 7 3 2 2 3 2 2 2 3 3 1 2 3 3 2 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 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; 1HNMR: 85 85 s 1H | 80 80 s 1H | 75 75 s 1H | 75 74 s 1H | 71 70 dq 1H J 10 79 | 68 67 dd 1H J 22 79 | 65 64 d 1H J 22 | 63 62 s 1H | 42 41 q 2H J 62 | 39 38 s 3H | 22 22 d 3H J 11 | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)c1ccc(C(C)(C)C#N)c(Cl)c1
ir: 0 3 4 2 0 2 5 2 1 2 2 3 0 2 4 2 1 2 2 2 3 4 5 1 1 3 3 3 4 3 4 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 3 12 13 7 2 2 8 24 44 41 4 5 2 3 3 63 4 6 8 39 27 32 31 9 22 2 3 4 2 12 5 8 6 17 9 12 4 3 7 3 1 2 3 3 9 8 4 3 1 3 5 2 2 2 4 4 1 1 1 8 1 1 2 4 3 2 2 2 1 4 11 11 8 6 15 9 11 6 9 3 6 6 10 15 9 20 45 100 12 9 5 4 2 4 4 3 5 3 2 1 1 2 3 1 1 5 4 7 16 5 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 0 2 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 4 2 2 2 1 2 3 2 2 3 4 4 7 19 5 13 25 11 3 3 1 2 2 3 1 3 3 4 2 10 7 30 18 11 10 2 5 4 57 76 10 3 2 2 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2; 1HNMR: 73 72 d 1H J 68 | 72 72 dd 1H J 7 21 | 71 71 m 1H | 41 41 qd 1H J 9 56 | 19 19 d 2H J 57 | 18 18 d 6H J 10 | 15 15 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCC(=O)Cl
ir: 17 57 42 8 7 7 17 31 2 11 13 5 2 6 9 3 0 6 8 2 1 6 7 2 1 7 7 2 2 9 8 2 3 7 7 1 2 7 6 2 3 8 7 20 13 12 7 1 17 21 9 2 5 9 5 0 4 9 6 8 7 9 6 15 20 12 24 12 22 18 6 0 6 10 4 1 7 13 14 11 10 11 6 6 50 16 22 67 13 13 12 28 45 28 8 9 9 9 3 5 11 12 10 5 10 5 2 4 8 6 5 8 19 18 5 13 23 11 66 26 30 11 14 18 16 11 4 7 15 5 9 14 7 9 22 17 32 100 64 29 17 3 2 8 7 3 4 8 6 1 3 8 6 1 3 7 5 1 3 8 5 1 3 8 5 0 4 8 4 0 4 8 4 0 4 8 4 0 4 7 3 1 5 7 3 1 5 7 3 1 5 7 3 2 6 6 2 2 6 6 2 2 6 6 2 2 6 5 1 3 7 5 1 3 7 5 1 3 7 5 1 4 7 4 1 4 8 4 0 4 8 4 1 4 7 4 1 5 7 3 1 5 7 3 1 5 6 3 2 5 6 3 2 6 6 3 3 6 6 2 3 6 6 2 3 6 5 2 4 7 5 4 8 18 16 19 19 14 11 3 7 11 9 7 18 9 6 2 4 7 4 1 4 7 3 1 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 1 4 7; 1HNMR: 29 28 m 5H | 22 21 s 5H | 19 18 tt 2H J 64 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC(C#N)(CC=C)c1cccc(C)c1
ir: 0 1 2 5 5 2 2 2 1 2 4 3 4 3 3 2 2 3 3 1 1 2 4 4 10 23 9 7 4 6 14 13 8 7 4 9 22 4 3 7 3 4 2 2 3 5 15 34 6 3 3 2 3 3 3 1 2 2 2 0 2 5 4 5 16 5 6 8 8 15 20 86 21 10 9 3 3 3 5 4 7 11 9 5 3 4 3 4 7 6 15 22 14 4 2 6 3 2 2 3 12 4 3 2 2 1 1 2 2 2 2 3 3 3 4 2 4 2 4 5 9 7 9 18 21 10 17 18 59 20 9 6 7 4 6 3 6 4 22 41 22 11 7 4 4 2 2 3 2 1 1 2 3 2 5 4 6 3 6 8 3 1 3 7 3 1 1 2 1 1 1 2 1 0 1 3 1 0 2 37 31 3 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 3 2 2 1 3 3 3 5 5 5 3 28 12 6 11 24 7 19 100 20 6 13 30 9 13 12 9 8 7 3 3 2 2 2 2 2 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 73 73 ddd 1H J 12 21 73 | 73 72 m 2H | 71 70 ddq 1H J 8 17 71 | 58 57 ddt 2H J 59 101 158 | 53 52 dq 2H J 13 154 | 51 50 dq 2H J 13 101 | 30 29 ddt 2H J 15 58 146 | 28 27 ddt 2H J 15 60 146 | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)SC(C(=O)O)c1ccc(C2CCCCC2)c(Cl)c1
ir: 2 2 4 5 15 6 6 3 10 12 16 7 0 22 26 9 23 32 33 100 65 40 17 6 3 7 7 3 3 3 3 3 7 3 2 2 3 4 2 2 1 3 3 1 11 3 6 1 3 3 4 14 28 11 3 2 7 2 7 2 3 2 2 2 2 2 3 21 3 3 2 2 3 12 6 1 40 25 22 18 13 13 15 16 4 7 3 4 3 5 3 6 5 6 6 21 24 8 5 11 6 4 4 3 4 3 3 4 3 14 7 24 9 9 13 5 18 21 21 6 5 9 3 5 6 5 3 14 9 4 1 4 5 5 2 3 2 1 1 3 5 3 6 35 20 13 5 2 3 5 8 3 2 12 3 1 1 2 1 1 1 3 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 2 2 2 1 2 2 3 2 2 2 3 4 3 5 5 4 11 12 10 16 15 4 12 62 17 5 5 2 3 2 2 3 8 87 19 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 100 100 s 1H | 74 74 dd 1H J 7 21 | 73 73 m 1H | 73 72 dd 1H J 8 83 | 52 52 d 1H J 10 | 34 33 q 4H J 71 | 30 29 pd 1H J 7 61 | 20 19 m 2H | 17 16 m 4H | 16 14 m 4H | 13 12 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Cl)cc(N)c1OC
ir: 9 15 31 28 44 39 19 9 7 9 10 6 6 5 6 4 2 4 5 11 13 15 11 5 4 3 1 2 2 4 3 3 2 3 2 2 2 2 2 3 2 2 2 3 2 3 2 2 3 2 3 3 3 3 2 2 2 2 2 2 3 3 5 2 4 4 19 13 9 2 2 2 2 2 3 3 3 4 10 7 3 2 2 1 1 1 1 2 1 1 6 9 7 3 7 4 3 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 6 4 2 2 2 3 5 8 2 4 4 4 1 1 1 2 1 1 1 1 1 1 2 1 2 3 5 2 2 3 4 6 11 52 29 7 10 12 4 6 8 13 7 0 1 1 16 14 9 6 14 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 2 2 1 1 1 2 2 3 3 4 4 3 12 16 8 5 3 2 2 1 1 2 1 1 1 2 1 0 2 3 1 100 63 12 4 3 0 0 2 2 0 2 4 45 42 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 d 1H J 22 | 70 70 d 1H J 22 | 39 39 d 6H J 82 | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1c(F)cc2c(nnn2C2CCC2)c1F
ir: 2 2 1 2 4 2 1 2 3 2 2 4 9 4 3 4 5 5 10 10 11 72 30 10 8 8 3 3 3 2 2 3 2 4 2 2 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 3 4 4 21 16 2 2 2 2 3 2 1 3 5 3 2 29 13 4 3 3 3 3 4 8 11 3 2 2 2 2 2 2 2 2 2 2 3 2 7 4 2 2 2 5 3 3 8 3 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 4 2 3 2 2 2 10 4 2 6 3 3 4 4 4 3 2 2 2 3 8 2 3 2 2 2 2 2 15 3 2 2 1 2 2 4 1 2 2 2 1 2 2 2 1 2 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 3 2 2 3 9 3 6 10 4 3 2 3 3 2 0 86 100 16 21 3 0 3 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 73 d 1H J 121 | 50 49 p 1H J 35 | 23 22 m 2H | 20 19 m 2H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNc1nc2cnc(N3CCC(Oc4cc(F)ccc4Br)CC3)nc2[nH]1
ir: 27 26 29 43 17 25 24 23 24 22 23 19 19 19 19 18 17 25 23 37 70 100 25 27 22 21 35 24 21 21 18 20 19 19 20 27 24 19 24 42 52 26 23 18 19 20 18 18 19 18 19 19 19 23 39 22 19 18 19 20 18 16 18 23 17 17 19 19 28 18 19 20 25 21 20 30 17 17 18 17 17 17 17 17 17 17 23 19 22 19 21 18 17 25 24 20 20 22 19 19 19 19 19 23 22 25 25 20 17 20 21 17 16 36 32 19 17 21 20 20 20 23 22 28 22 79 26 25 29 28 24 19 18 20 24 16 17 24 32 70 55 29 29 23 37 29 36 32 29 30 26 17 35 83 22 16 19 24 20 0 28 34 13 35 19 7 16 25 17 10 17 22 17 12 17 21 17 13 17 20 16 14 17 19 16 15 17 19 16 15 18 18 16 15 18 18 16 16 18 18 16 16 18 18 16 16 18 17 16 16 18 17 16 16 18 17 16 16 18 17 16 17 18 17 16 17 18 17 15 17 18 17 16 17 18 17 16 17 18 17 16 17 18 17 16 17 18 17 16 17 18 16 16 17 18 16 16 17 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 19 22 20 20 19 18 17 18 19 21 25 29 28 25 98 33 18 20 18 18 18 17 17 18 18 17 17 18 19 18 18 18 18 19 18 26 31 25 49 38 28 67 28 27 22 19 18 18 18 17 17 18 17 17 17 17 17 17 17 17 17 16 17 17 17 16 17 17 17 16 17 17 17 16 17 17 17 16 17 17 17 16 17 17 17 17 17 18 17 17 17 17 17 17 17 17 17 17 17 17 16 17 17 17 16 17 17 17 16 17 17 17 16 17 17 17 16 17 17 17 16 17 17 17 16 17 17; 1HNMR: 99 99 s 1H | 90 89 s 1H | 75 75 dd 1H J 46 76 | 75 74 t 1H J 49 | 69 68 ddd 1H J 22 76 100 | 66 65 dd 1H J 21 122 | 46 46 p 1H J 43 | 44 44 d 2H J 48 | 42 41 q 2H J 66 | 40 39 m 2H | 38 37 ddd 2H J 65 92 154 | 24 23 dddd 2H J 43 66 93 128 | 22 21 m 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(c2cc3c(F)cccc3c(=O)[nH]2)CC1
ir: 2 2 2 2 2 2 1 3 3 4 2 2 2 4 3 2 3 3 20 11 2 3 2 2 2 8 2 2 2 1 1 2 2 1 1 2 2 3 3 2 2 2 3 6 4 5 100 16 5 3 3 4 31 20 3 0 2 3 2 2 2 3 3 2 2 7 2 3 3 4 3 2 2 2 6 6 4 3 1 2 17 24 4 2 2 2 2 2 2 3 6 5 3 6 8 5 3 13 5 18 3 5 2 3 5 6 4 3 2 2 3 4 4 3 2 2 3 3 6 6 3 2 5 3 6 3 7 7 2 4 4 2 9 10 23 3 2 2 4 9 11 1 1 2 17 1 1 2 2 1 2 2 2 1 11 31 2 2 2 3 16 5 6 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 2 2 4 3 4 5 3 9 11 25 21 7 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 3 4 6 30 41 11 5 4 1 2 3 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 78 77 dd 1H J 15 81 | 75 74 td 1H J 51 80 | 74 73 ddd 1H J 14 83 100 | 73 73 dd 1H J 17 43 | 28 27 m 3H | 26 25 ddd 2H J 63 90 121 | 23 23 s 2H | 21 20 dddd 2H J 53 63 90 125 | 18 17 dddd 2H J 53 63 90 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(I)cc(Cl)cc1C(=O)O
ir: 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 4 2 1 2 3 4 4 5 25 11 3 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 9 4 4 0 1 1 1 1 2 3 1 0 48 1 2 2 2 1 1 1 1 1 3 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 7 5 4 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 13 1 1 2 14 10 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 6 3 3 1 1 1 1 1 2 2 25 100 3 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 22 | 77 76 d 1H J 22 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1[C@H]1CCN(Nc2ncncc2Cl)C[C@H]1F
ir: 8 3 6 3 4 7 11 6 2 2 5 4 1 2 6 8 10 12 2 3 2 2 2 3 3 3 2 2 1 2 2 2 1 2 2 1 8 4 2 2 9 4 12 8 6 7 3 5 20 9 13 9 8 25 26 20 32 12 8 6 4 3 4 1 2 3 1 1 16 11 3 0 11 5 12 8 3 3 3 10 15 39 13 5 4 4 13 4 7 4 16 8 10 13 6 5 10 13 31 9 16 13 20 10 49 12 4 12 4 34 18 16 22 5 9 5 5 8 8 13 10 19 26 15 6 10 9 10 7 4 9 5 7 4 5 4 5 10 17 13 4 3 2 25 3 1 1 5 57 5 12 18 3 3 3 1 1 1 1 1 1 1 2 2 3 6 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 3 3 4 7 10 10 9 18 6 6 9 15 6 13 100 57 28 85 56 15 7 9 4 4 2 1 2 2 1 1 3 3 11 2 4 3 2 6 11 72 10 38 11 3 4 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 16 | 82 82 d 1H J 18 | 81 80 ddq 1H J 13 25 35 | 77 76 ddd 1H J 21 39 79 | 74 73 t 1H J 9 | 73 72 dd 1H J 79 101 | 71 71 s 1H | 52 51 ddd 0H J 23 34 50 | 51 50 ddd 0H J 22 33 52 | 41 40 m 2H | 35 34 ddd 1H J 23 133 172 | 33 30 m 6H | 23 21 ddddd 1H J 33 64 71 93 136 | 21 20 m 1H | 15 15 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)CC1
ir: 3 5 2 3 5 4 3 5 1 2 2 2 2 3 4 13 9 2 2 2 10 6 13 9 12 5 11 11 14 10 8 3 4 1 7 6 10 10 19 21 16 25 5 2 2 1 3 1 4 6 28 3 2 3 4 1 4 2 11 45 11 5 5 3 2 2 3 13 14 11 9 1 2 1 1 2 5 4 2 2 7 5 2 5 8 5 2 1 1 4 2 5 9 2 1 5 2 20 76 12 18 20 6 4 5 3 3 4 2 7 4 7 10 12 7 7 24 16 24 21 7 18 21 15 16 5 4 6 4 5 5 16 3 4 9 9 2 4 2 19 3 3 13 3 2 3 11 1 6 100 8 4 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 3 3 1 4 2 3 6 4 3 2 3 3 5 10 16 23 30 2 4 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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: 78 77 d 1H J 75 | 74 73 d 1H J 75 | 38 37 ddd 2H J 59 86 121 | 37 37 pq 1H J 15 47 | 35 34 ddd 2H J 59 87 123 | 34 33 d 3H J 15 | 26 25 s 2H | 22 21 dddd 2H J 48 59 86 132 | 20 19 dddd 2H J 48 60 88 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C)nc(Cc2ccccc2)n1
ir: 1 2 1 1 1 1 1 1 4 2 1 1 1 5 3 2 1 1 1 1 3 1 1 1 3 2 2 1 2 2 8 31 3 6 1 5 15 5 2 3 3 16 3 1 1 17 5 2 2 1 2 1 2 1 1 3 2 1 1 2 1 1 10 4 2 7 7 2 5 8 3 4 13 3 3 13 2 2 2 2 1 1 1 1 1 1 1 1 3 10 2 1 1 1 1 1 2 7 2 2 1 1 1 1 1 2 2 1 1 1 5 2 1 1 1 2 2 2 1 1 2 3 1 2 3 3 3 1 2 3 3 1 1 1 3 4 2 1 1 1 1 3 9 22 100 9 6 4 1 2 1 3 1 2 2 0 17 8 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 3 2 3 2 4 6 4 2 8 14 8 8 65 24 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 1H | 73 72 m 3H | 72 72 m 1H | 62 62 s 1H | 44 43 q 2H J 67 | 40 40 d 2H J 9 | 24 24 s 3H | 14 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(CCl)c(C(F)(F)F)c1
ir: 4 4 1 2 3 10 13 3 4 4 3 3 3 2 1 3 6 7 1 2 2 1 1 2 2 1 1 2 2 1 2 2 4 5 2 3 2 2 2 2 2 1 2 5 5 4 8 5 3 3 3 4 14 8 45 59 8 0 2 4 2 0 2 4 2 2 9 28 10 1 3 3 3 5 3 3 1 1 2 3 1 1 2 3 2 7 4 3 2 2 4 4 5 3 4 6 6 11 51 43 5 5 10 6 5 8 5 6 12 86 24 5 3 2 3 2 1 3 4 9 9 5 5 4 3 5 5 2 1 2 2 1 1 2 2 1 1 2 3 1 2 3 4 12 33 4 3 2 3 25 20 3 2 14 32 2 3 2 2 1 2 4 5 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 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 3 2 1 2 3 5 2 2 5 3 3 4 6 10 23 39 100 30 17 9 4 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 75 74 ddt 1H J 9 46 78 | 74 73 ddq 1H J 9 29 121 | 71 70 ddd 1H J 29 78 101 | 47 47 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)Nc1cn(-c2ccc(-c3ccc(F)cc3O)c(F)c2)nc1C(N)=O
ir: 2 3 0 1 1 1 1 1 2 0 0 1 7 3 4 2 1 5 1 1 1 2 3 2 1 7 19 6 3 2 2 1 1 0 0 1 3 3 1 0 0 0 1 1 0 0 0 1 1 0 0 1 1 1 11 13 37 6 1 1 1 0 0 1 1 2 5 5 13 4 2 0 1 2 1 2 13 13 8 4 5 2 0 0 1 1 3 1 2 1 0 0 0 1 1 4 1 1 0 0 0 1 2 4 1 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 3 1 4 1 1 0 1 2 8 1 1 1 1 4 5 1 2 22 1 0 0 0 3 0 0 1 2 4 4 1 2 4 7 16 2 3 8 38 18 71 31 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 1 2 5 8 7 1 8 8 3 1 1 17 5 2 0 0 0 1 0 0 12 12 1 4 3 2 6 7 2 4 3 4 1 18 100 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 s 1H | 84 84 s 1H | 82 81 s 1H | 78 77 dd 1H J 51 75 | 77 76 dd 1H J 21 75 | 75 74 m 2H | 70 70 s 2H | 70 69 m 1H | 66 65 dd 1H J 22 122 | 62 62 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)S(=O)(=O)c1ccc(F)c(C(=O)O)c1
ir: 4 4 2 6 12 9 5 11 10 14 15 20 6 5 4 18 15 6 20 22 32 21 16 19 12 9 7 11 6 2 3 4 4 2 4 7 26 17 3 6 5 2 2 5 3 1 2 5 3 0 3 6 5 0 13 15 4 2 3 7 7 7 6 7 9 15 10 9 9 4 7 6 5 10 7 8 7 30 24 15 6 3 48 11 22 7 26 16 27 25 19 27 15 4 4 3 4 4 32 26 1 2 5 4 1 2 5 7 2 3 4 3 1 2 5 3 1 3 7 6 9 12 15 6 4 19 19 3 1 5 5 5 3 3 5 9 5 3 5 3 3 4 4 3 3 5 29 22 5 4 19 16 7 4 21 10 2 5 4 2 3 8 4 1 2 4 3 1 2 4 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 2 3 4 3 2 4 6 7 21 38 20 9 5 4 7 4 2 3 4 100 81 8 5 2 1 3 4 2 1 3 4 2 1 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 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 83 82 dd 1H J 21 36 | 79 79 ddd 1H J 22 36 97 | 75 74 m 1H | 28 28 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(F)cc1N1CCO[C@H]([C@@H](O)C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)C1=O
ir: 20 15 10 11 9 15 4 3 4 3 5 3 11 2 6 2 6 10 6 4 2 1 1 2 1 1 2 2 8 3 4 1 3 1 2 2 2 2 3 2 3 4 1 4 9 2 7 10 15 4 7 6 12 18 3 3 2 2 3 6 8 37 79 15 4 12 6 6 5 3 15 7 20 16 16 1 21 5 2 2 1 1 1 4 3 2 6 9 27 40 6 5 6 3 0 2 12 5 16 5 31 6 7 8 42 13 26 3 1 2 2 2 4 3 1 1 2 2 2 2 3 9 10 12 16 15 20 15 8 29 47 61 11 8 5 3 2 1 0 1 1 1 1 18 3 2 4 22 12 23 6 2 2 26 7 33 5 1 1 1 1 2 1 1 1 2 5 3 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 2 2 1 1 2 2 2 3 6 12 6 18 13 10 3 3 5 6 20 100 32 16 24 12 24 7 4 2 2 4 1 2 2 6 17 23 7 3 1 0 1 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; 1HNMR: 96 95 s 1H | 90 90 s 1H | 78 78 m 2H | 76 76 m 2H | 72 71 ddq 1H J 10 46 92 | 70 69 dd 1H J 22 121 | 69 68 ddd 1H J 21 92 103 | 48 47 m 2H | 47 46 d 1H J 58 | 41 40 m 3H | 39 39 m 1H | 23 22 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cc(Cl)ccc2/C1=C/c1cncc(Cl)c1
ir: 8 2 3 4 4 4 1 4 4 6 12 51 7 21 5 2 2 2 2 18 1 2 4 14 8 3 2 3 3 2 2 9 38 68 12 8 14 8 24 62 13 10 6 2 3 4 3 1 2 4 3 1 5 7 27 19 11 4 3 0 3 4 3 2 5 4 19 29 8 10 7 2 3 4 2 0 4 13 20 6 2 3 3 2 3 5 5 4 3 3 2 2 5 3 2 6 12 2 1 2 6 3 2 2 7 9 9 6 2 2 3 4 45 11 2 2 4 4 33 12 12 3 2 14 5 3 2 3 2 2 1 2 3 3 5 13 39 2 1 4 3 1 13 4 2 2 2 2 3 5 37 5 4 16 12 2 19 9 39 9 4 33 23 7 3 1 1 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 7 4 3 5 14 24 100 18 4 6 3 4 4 2 1 2 2 2 2 3 2 2 1 2 3 6 2 2 6 16 73 39 10 14 3 5 3 2 1 2 2 2 2 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 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 88 88 t 1H J 17 | 83 83 t 1H J 17 | 82 82 s 1H | 79 79 d 1H J 82 | 78 78 t 1H J 17 | 75 75 d 1H J 22 | 73 72 dd 1H J 22 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1
ir: 5 8 9 9 12 9 6 9 9 7 40 25 6 20 16 4 2 6 3 1 1 1 1 1 1 1 4 2 1 1 1 1 4 3 1 1 1 2 1 1 1 4 3 2 2 1 1 1 1 1 1 3 2 10 42 18 4 4 4 3 3 5 2 2 1 3 1 2 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 6 2 1 5 2 1 2 2 1 1 1 2 2 5 1 1 2 3 1 3 4 2 1 2 3 2 2 3 8 14 48 13 9 5 10 11 9 11 48 24 17 6 28 21 5 20 14 23 9 4 12 21 20 9 3 2 1 1 0 3 2 1 4 38 22 4 12 100 3 6 3 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 4 4 6 4 1 3 4 8 21 20 12 25 27 9 9 6 3 1 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 73 73 m 2H | 73 72 m 2H | 38 37 m 2H | 36 35 m 2H | 26 25 m 2H | 24 23 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.
COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1
ir: 1 1 2 2 0 1 1 1 1 2 2 2 2 7 3 3 4 3 2 0 3 3 4 6 7 3 2 1 2 1 2 5 4 4 3 3 3 3 2 10 11 2 3 5 2 3 2 23 13 2 3 11 2 1 2 6 9 1 1 1 1 1 1 1 1 2 2 6 8 2 2 4 2 3 2 3 2 2 2 3 9 1 3 2 0 3 1 0 1 2 3 1 2 1 1 1 1 2 3 4 2 3 2 1 1 1 0 1 1 1 1 2 1 1 2 1 1 0 1 3 0 1 1 1 1 1 1 1 1 2 4 1 1 5 1 8 1 1 1 1 2 14 1 1 1 7 1 2 1 0 1 3 2 2 11 9 4 9 33 11 1 6 73 3 1 0 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 3 2 2 5 8 2 1 1 1 1 0 0 1 0 0 0 1 1 1 1 2 4 2 4 5 5 12 9 12 5 3 1 3 15 100 3 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 89 s 1H | 87 87 s 1H | 77 77 s 2H | 76 76 s 1H | 73 71 m 4H | 39 39 s 3H | 33 33 s 1H | 33 33 s 2H | 33 33 m 2H | 33 32 m 2H | 30 30 m 2H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)N(C)CCOc1cccc(Nc2cc(Br)cn(C)c2=O)n1
ir: 2 10 11 8 3 18 3 5 2 3 3 6 2 5 4 1 2 2 6 3 2 4 3 1 1 4 2 5 4 8 4 9 9 18 62 54 35 5 2 2 1 3 2 5 17 13 58 93 89 14 5 8 4 3 1 1 2 2 2 1 1 2 10 6 4 14 2 3 3 3 4 5 5 10 8 10 8 1 7 13 4 7 5 3 3 2 7 6 2 3 4 42 13 7 4 1 1 1 4 3 1 1 2 2 5 8 4 6 5 7 4 2 2 2 3 4 6 20 30 6 7 5 4 4 3 7 4 19 5 6 6 32 17 12 23 9 20 19 26 7 3 4 1 6 23 17 19 61 61 21 15 4 2 2 10 88 48 2 4 100 81 10 2 8 22 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 2 1 2 2 2 2 2 4 4 4 1 8 11 21 16 25 16 12 13 9 6 5 2 2 5 2 3 3 1 1 0 2 2 0 2 2 9 21 31 36 47 30 3 5 2 2 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: 89 88 s 1H | 82 81 p 1H J 11 | 75 75 t 1H J 77 | 74 74 d 1H J 13 | 73 73 dd 1H J 11 79 | 67 67 dd 1H J 12 76 | 64 63 m 1H | 59 58 dd 1H J 24 167 | 57 57 dd 1H J 22 112 | 44 44 t 2H J 70 | 37 36 t 2H J 71 | 34 34 d 3H J 9 | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/CCc1ccccc1)NC1CC1
ir: 2 2 1 1 2 1 1 1 4 1 1 2 4 2 1 2 3 2 1 2 2 1 4 5 7 6 2 3 2 4 7 14 8 38 35 100 44 7 29 25 36 12 9 11 8 2 1 4 1 1 1 2 1 1 1 2 2 1 2 3 1 1 2 3 2 1 3 3 11 4 2 3 1 1 2 3 3 3 6 4 11 10 19 12 3 3 4 5 3 6 5 3 1 1 3 2 2 7 9 3 4 2 3 2 1 1 2 1 1 2 4 3 4 3 3 1 2 1 3 9 6 7 3 2 1 2 3 6 10 3 8 5 6 8 9 15 20 25 56 13 6 9 8 4 12 9 11 21 11 7 6 14 7 5 3 2 1 3 1 8 2 2 11 6 3 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 2 2 3 3 2 2 3 6 7 10 8 14 18 64 32 79 36 19 14 5 5 2 2 3 2 3 2 1 1 1 2 2 1 1 3 3 7 24 30 25 15 10 6 3 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 3H | 71 71 m 2H | 68 67 dtt 1H J 9 55 146 | 67 66 d 1H J 75 | 60 60 dt 1H J 12 146 | 29 28 dp 1H J 44 75 | 28 27 tt 2H J 9 80 | 26 25 m 2H | 7 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]cc(C#N)c1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
ir: 0 2 7 3 0 2 3 5 3 1 2 1 1 1 1 1 7 3 2 4 0 1 2 3 3 1 1 1 0 1 1 2 1 2 1 0 1 2 12 5 3 4 11 48 7 14 4 7 12 3 3 3 2 2 7 26 2 2 1 2 5 2 2 3 7 10 5 15 3 5 2 1 2 1 4 21 14 3 2 1 2 2 4 4 4 2 2 5 33 5 2 3 7 4 2 1 2 9 1 1 3 1 1 2 8 7 7 8 3 2 2 2 4 1 1 1 2 3 2 3 4 2 1 2 5 3 6 16 15 2 3 2 2 1 1 4 17 17 2 2 2 1 32 3 3 10 6 6 9 14 1 9 3 11 4 2 2 1 1 1 1 0 1 2 3 3 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 2 1 2 2 1 1 2 1 0 3 3 5 16 21 37 21 30 35 19 4 3 2 2 2 2 2 1 1 1 1 1 1 1 2 5 2 8 100 5 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 1; 1HNMR: 96 96 d 1H J 71 | 79 79 d 1H J 24 | 77 77 dd 1H J 18 73 | 77 76 d 1H J 84 | 76 75 ddd 2H J 20 50 78 | 75 74 m 2H | 73 73 d 1H J 70 | 25 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N(Cc2ccc(Cl)cc2)c2cncnc2)cc1
ir: 3 2 1 2 4 2 2 5 3 4 3 2 3 1 1 5 6 19 5 2 2 4 5 6 5 9 35 4 6 5 2 4 13 12 12 33 98 7 5 15 11 6 6 3 4 2 3 7 5 1 2 3 2 4 19 17 6 30 10 7 4 6 2 2 3 0 1 3 4 26 3 1 3 1 1 2 3 5 7 2 10 19 11 4 4 1 4 4 4 11 11 1 2 7 12 3 2 2 2 3 1 2 2 1 1 1 2 9 27 11 18 13 43 17 9 6 2 3 5 3 6 6 10 10 11 6 5 3 7 3 3 2 1 2 2 4 1 1 1 1 0 2 2 1 1 8 22 100 47 5 6 15 11 4 7 31 23 10 5 2 20 7 4 3 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 5 1 1 1 1 0 1 1 1 0 1 1 1 1 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 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 5 5 11 48 68 61 15 5 8 4 1 2 3 1 1 1 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 88 t 1H J 17 | 86 86 d 2H J 18 | 76 75 m 2H | 73 73 m 4H | 72 71 m 2H | 48 48 d 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(c1cc(Br)cc(C(=O)OC)c1C)C1CCSCC1
ir: 6 46 58 15 24 10 2 5 7 6 3 4 6 5 4 6 2 5 5 3 2 4 9 4 7 10 12 5 8 11 4 6 3 1 4 3 4 3 5 12 8 2 3 2 2 1 5 3 2 2 3 2 2 3 2 2 3 6 4 3 3 3 8 6 3 4 9 15 17 32 10 1 7 2 7 9 12 5 7 5 16 9 10 13 12 40 11 15 15 4 5 2 2 2 15 11 33 16 4 2 2 2 2 2 2 2 10 29 17 20 11 4 3 6 12 18 6 16 21 23 13 13 16 19 26 22 15 6 10 9 18 9 9 3 6 7 13 4 3 21 5 3 4 8 17 100 79 7 19 32 4 0 1 2 1 1 1 6 5 1 2 6 2 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 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 2 1 2 5 6 3 4 6 12 7 3 5 7 13 4 13 46 86 26 21 22 24 15 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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: 78 77 d 1H J 22 | 69 69 d 1H J 22 | 39 39 s 2H | 35 34 m 3H | 28 27 ddd 2H J 37 65 132 | 27 26 ddd 2H J 38 64 132 | 24 24 s 2H | 21 20 dddd 2H J 38 49 64 113 | 18 17 dddd 2H J 38 48 64 115 | 12 12 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCNc1ccc2ccccc2n1
ir: 4 3 10 5 4 4 9 14 23 20 9 5 6 5 5 11 5 5 1 2 2 3 3 5 6 6 25 44 64 43 13 7 6 6 1 3 2 5 2 2 3 4 9 8 2 0 3 32 28 5 4 4 5 19 54 12 3 1 2 5 1 2 3 2 4 2 2 2 1 23 1 3 1 2 7 10 2 1 0 0 1 1 1 1 2 2 1 1 1 1 6 1 1 2 1 3 2 3 4 3 15 5 3 2 4 3 4 12 4 12 5 8 2 1 1 1 1 3 2 6 5 12 11 10 6 6 3 16 6 8 6 6 4 1 1 6 7 1 2 2 6 22 74 22 32 19 51 30 13 45 36 4 4 3 4 6 26 47 14 4 3 1 1 0 1 12 4 1 1 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 0 1 0 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 7 17 27 12 22 59 16 11 5 5 2 1 1 1 3 4 2 2 1 1 1 1 1 1 2 3 5 5 20 69 100 48 18 17 13 5 4 3 2 1 1 1 0 0 1 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 81 | 79 78 m 1H | 78 78 m 1H | 77 76 td 1H J 12 79 | 75 74 td 1H J 15 80 | 68 67 d 1H J 81 | 61 60 t 1H J 49 | 56 56 t 1H J 49 | 37 36 q 2H J 48 | 34 34 q 2H J 48 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cc(C2CCCCC2)c(Cl)cc1CCCCBr
ir: 3 5 2 1 4 2 4 10 5 6 2 4 4 2 3 2 3 5 3 4 4 2 1 9 2 2 3 4 4 5 1 1 2 2 2 1 3 6 5 6 7 2 2 1 2 0 3 2 2 2 2 3 3 3 2 5 4 1 2 3 1 2 2 3 2 6 13 21 16 21 11 3 8 41 27 21 15 5 11 5 7 22 43 100 26 4 7 8 9 8 6 3 9 3 6 3 4 10 11 4 2 3 21 11 6 12 5 5 8 4 8 19 14 15 13 8 11 6 6 13 4 4 4 4 1 2 2 1 1 3 3 1 3 6 2 1 0 2 2 1 1 4 12 12 3 2 2 1 8 3 2 2 27 30 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 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 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 1 1 2 2 8 7 7 9 6 2 6 3 3 6 31 24 5 28 48 35 4 4 2 2 2 9 23 34 1 2 2 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 71 70 t 1H J 9 | 66 66 d 1H J 7 | 57 57 s 1H | 34 34 t 2H J 45 | 30 29 m 1H | 28 27 td 2H J 8 81 | 20 19 m 4H | 18 17 m 2H | 17 16 m 4H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.