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CCc1c(I)c2ccc([N+](=O)[O-])cc2n1CC | ir: 2 1 0 1 2 2 1 2 2 1 4 5 2 2 3 1 3 1 0 3 3 1 1 1 2 3 1 1 1 1 1 1 2 0 0 2 2 5 1 2 1 1 2 2 4 1 1 14 1 1 1 3 2 2 2 2 1 0 1 1 1 1 2 2 1 0 1 2 1 3 2 2 1 1 3 4 2 1 1 1 1 2 2 1 1 1 1 1 0 1 2 2 1 1 1 1 0 1 2 1 0 1 1 1 1 5 5 4 2 2 2 3 6 3 2 2 2 7 5 9 6 2 2 4 1 16 11 3 1 6 5 3 2 2 2 2 3 2 2 1 1 1 1 1 1 10 6 1 1 1 1 1 1 1 1 2 1 1 100 11 1 3 2 0 1 1 1 0 1 2 1 0 1 1 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 3 3 1 1 2 2 3 3 29 16 16 37 16 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 81 m 2H | 79 79 d 1H J 84 | 40 39 q 2H J 54 | 28 28 q 2H J 70 | 14 13 t 3H J 54 | 13 12 t 3H J 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CC(O)C1C2CC3CC(C2)CC1C3 | ir: 17 8 21 15 9 6 5 4 5 4 4 6 8 6 25 6 6 3 1 4 5 3 5 8 9 4 2 5 8 1 2 7 7 1 2 5 6 2 3 5 4 2 3 5 7 1 4 8 4 2 3 7 4 3 5 7 9 1 14 19 7 10 5 11 4 2 7 17 6 2 4 6 4 2 7 9 11 4 6 8 3 4 11 13 12 21 52 100 21 22 16 9 4 4 5 6 3 4 6 5 2 4 8 11 7 15 26 11 9 15 12 32 14 11 8 21 2 5 7 8 1 6 8 3 3 6 7 7 4 9 7 2 2 4 6 4 2 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 0 3 6 3 0 3 6 3 16 5 4 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 3 1 3 6 4 2 6 8 9 7 9 9 11 12 8 16 28 14 6 6 3 1 5 5 4 2 12 37 5 2 4 5 2 2 4 4 2 2 5 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 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 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 46 46 dd 1H J 41 50 | 28 27 d 1H J 49 | 22 21 dp 2H J 43 69 | 21 20 ddd 1H J 39 59 77 | 19 18 ddd 2H J 54 63 118 | 18 18 ddd 4H J 44 61 128 | 17 17 t 2H J 54 | 16 15 ddd 4H J 43 60 128 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCCCCCCCCCCCCn1cc[n+](CCCS(=O)(=O)[O-])c1 | ir: 4 2 5 4 4 11 10 6 6 5 9 7 1 2 4 5 6 3 5 1 0 2 3 1 1 2 3 1 4 3 3 1 2 13 6 2 3 9 9 11 4 9 12 9 8 12 7 1 3 4 3 1 2 5 2 1 2 3 6 2 10 5 2 1 3 4 2 0 2 3 2 1 2 3 2 1 2 2 2 1 3 2 2 9 72 11 100 8 10 5 2 3 5 3 4 10 7 6 1 1 4 3 1 2 5 10 22 16 19 5 5 6 5 7 6 11 7 4 5 8 5 5 1 2 2 2 2 2 3 2 2 2 3 1 1 2 2 1 1 3 2 1 1 3 3 1 1 3 2 1 2 4 14 9 19 13 3 2 2 3 2 0 1 2 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 6 6 4 3 6 4 2 4 4 3 9 20 14 4 4 4 9 12 13 7 12 8 5 11 14 8 7 4 4 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 2 3 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 53 53 m 1H | 50 50 d 1H J 27 | 47 46 d 1H J 27 | 41 40 m 2H | 39 38 m 2H | 28 28 t 2H J 112 | 23 22 tt 2H J 75 112 | 18 17 p 2H J 68 | 14 12 m 26H | 9 8 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(c1ccc(OCCCCCF)cc1)N1CCC[C@H]1CN1CCCC1 | ir: 2 2 3 2 1 2 1 1 1 5 2 2 0 3 2 1 0 9 2 1 0 1 1 1 1 6 6 2 4 1 1 2 2 3 1 5 3 6 100 9 10 5 2 3 2 3 3 3 2 6 3 1 3 36 12 22 55 22 3 1 9 4 2 3 13 8 2 2 5 15 3 3 10 3 4 1 3 4 2 45 5 2 3 1 1 1 2 14 6 2 3 3 3 10 2 1 2 2 0 3 4 2 3 6 4 12 4 21 10 4 31 7 4 8 6 7 6 5 8 12 9 6 4 3 5 4 7 2 2 7 24 5 2 2 2 2 2 1 1 1 1 1 1 2 16 28 2 3 4 7 6 11 14 5 2 2 1 1 1 1 1 1 18 2 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 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 1 2 1 2 2 4 8 4 3 7 2 1 2 4 4 4 34 10 16 35 13 3 1 2 2 1 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 77 76 m 2H | 70 70 m 2H | 45 44 t 1H J 46 | 44 43 t 1H J 47 | 40 39 m 3H | 37 36 dddd 1H J 17 30 50 120 | 36 35 ddd 1H J 32 49 119 | 30 30 dd 1H J 53 110 | 29 28 m 4H | 28 27 dd 1H J 53 110 | 20 19 m 1H | 20 18 m 2H | 18 16 m 9H | 15 14 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC[C@@H]1CN(CC2CC2)C(=O)c2cc3cc(OC4CCN(C(C)C)CC4)ccc3n21 | ir: 7 8 32 16 10 28 26 23 8 5 25 8 4 6 10 18 6 15 39 22 7 7 7 3 2 5 6 7 5 5 8 6 6 47 54 23 28 6 47 87 43 59 15 5 7 8 8 7 5 9 4 2 16 27 29 14 14 17 17 3 6 7 7 3 9 35 43 32 38 14 9 9 5 15 7 16 19 59 16 20 10 10 8 100 22 18 14 10 35 19 14 38 40 18 8 13 12 22 18 26 20 8 15 19 18 19 17 32 15 12 15 25 75 22 14 15 10 15 13 15 23 47 23 40 23 29 48 23 15 17 8 46 20 54 90 41 11 5 2 6 5 4 5 5 7 8 13 11 8 13 19 35 42 84 69 12 10 5 3 4 4 1 3 8 12 0 2 5 3 0 2 5 2 0 2 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 6 8 4 6 11 10 7 6 15 9 4 10 26 17 24 35 18 62 88 90 73 32 27 8 7 5 4 3 5 3 4 4 4 2 3 5 4 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 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 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 3 1 2 3 2 1 2 3 2 1 2 4; 1HNMR: 73 72 d 1H J 85 | 71 71 d 1H J 22 | 71 70 t 1H J 23 | 69 68 dd 1H J 24 82 | 46 45 qd 1H J 18 47 | 44 44 p 1H J 48 | 39 39 dd 1H J 46 103 | 38 37 dd 1H J 17 107 | 37 36 dd 1H J 46 103 | 36 35 dd 1H J 45 107 | 34 33 d 2H J 48 | 32 32 s 2H | 29 28 m 3H | 26 25 ddd 2H J 51 79 119 | 22 21 ddt 2H J 49 79 128 | 19 18 ddt 2H J 49 79 128 | 13 12 pt 1H J 48 64 | 11 11 d 6H J 68 | 6 5 m 2H | 3 3 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NC(=O)c1ncn(COCCO)c1NC(N)=S | ir: 4 5 11 9 12 12 6 22 6 22 7 13 12 6 2 7 9 5 6 2 3 3 3 2 4 3 3 2 4 5 6 6 4 2 3 2 4 4 6 3 4 4 4 2 6 2 4 2 8 3 4 3 2 2 2 2 2 2 2 2 2 2 7 4 2 2 2 2 4 4 13 8 9 4 2 7 12 7 3 2 8 3 2 3 2 5 20 5 4 5 13 8 3 3 3 3 2 3 4 3 5 3 3 2 2 2 2 2 1 2 5 3 4 5 3 2 2 2 6 4 4 3 3 6 5 3 2 3 3 3 5 2 2 2 2 2 2 5 6 4 3 2 3 3 6 34 10 5 2 4 3 5 4 15 26 100 29 8 5 4 2 3 2 1 2 3 3 0 27 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 6 6 4 3 5 3 3 2 3 5 12 5 3 5 4 6 3 3 3 2 4 25 21 3 4 3 3 3 3 5 12 40 5 4 3 7 16 41 16 6 3 3 7 53 46 10 4 3 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 1 1 2 1 1 1 2 1 1; 1HNMR: 76 76 t 1H J 9 | 74 74 s 2H | 71 71 s 2H | 54 54 d 2H J 10 | 37 37 m 5H | 29 28 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(Br)c1cc(-c2ncc(C(F)(F)F)cc2Cl)n2ncnc2n1 | ir: 3 1 1 0 0 1 1 0 0 1 0 0 0 0 1 1 0 0 1 1 0 0 0 0 1 0 1 0 0 1 3 3 2 1 1 0 0 1 2 0 1 2 6 4 1 1 1 4 12 1 1 2 2 1 6 9 0 0 1 1 1 0 0 10 5 1 14 3 3 1 11 11 5 3 3 24 13 14 3 3 5 46 6 2 2 11 1 2 1 1 1 3 4 9 5 2 3 6 11 37 2 23 0 9 14 14 41 5 5 2 4 16 3 9 0 4 7 19 100 5 5 2 4 3 3 25 12 5 2 19 7 2 3 2 2 5 32 5 2 1 1 1 1 1 1 0 1 1 2 4 4 0 1 1 1 1 0 1 0 0 1 4 18 3 0 0 0 5 0 0 1 0 0 0 0 0 2 1 0 0 0 1 3 25 3 3 1 1 0 0 0 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 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 2 2 3 1 1 2 2 1 2 3 4 7 11 14 9 3 38 7 72 77 33 4 4 5 2 1 2 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 p 1H J 13 | 84 84 s 1H | 82 82 dq 1H J 9 18 | 80 80 d 1H J 16 | 52 51 qd 1H J 18 72 | 18 18 d 3H J 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)C[C@@H](N)Cc1cccs1 | ir: 2 1 1 2 1 1 1 1 2 1 1 1 4 1 2 9 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 1 3 1 2 2 4 18 4 1 1 1 2 1 8 1 0 1 4 1 6 1 1 1 0 1 2 4 1 3 3 8 99 14 18 7 7 1 1 6 1 1 1 3 19 16 42 11 5 6 5 1 1 2 4 2 7 3 10 9 11 1 2 2 2 1 1 3 9 2 1 1 1 1 1 1 1 1 2 4 2 4 2 2 1 1 3 3 3 4 3 3 8 14 7 12 12 12 31 20 18 15 5 1 2 2 1 1 1 1 1 1 3 6 1 1 1 1 1 5 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 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 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 0 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 3 2 2 1 5 50 16 7 3 1 1 1 1 2 4 4 5 41 13 10 12 7 5 10 11 100 15 3 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 72 72 dd 1H J 18 51 | 70 69 m 2H | 34 33 dddd 1H J 13 35 57 87 | 30 30 ddd 1H J 8 48 149 | 28 27 ddd 1H J 9 48 150 | 27 26 m 3H | 25 24 dd 1H J 37 123 | 22 22 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC2([C@@H](O)c2ccccn2)C1 | ir: 1 4 5 8 24 26 10 7 9 30 19 39 19 24 3 15 20 5 3 3 8 12 3 3 3 2 23 11 2 22 5 4 5 8 4 3 4 6 6 14 23 8 6 8 3 3 3 2 3 5 3 5 8 17 67 54 34 10 9 6 6 4 5 3 14 3 4 5 10 14 30 8 5 2 4 3 2 3 5 19 10 4 21 8 9 5 19 33 21 30 16 8 18 41 7 3 4 6 10 4 6 14 21 4 2 5 7 4 4 6 4 4 1 16 3 4 3 7 13 14 16 33 22 22 30 26 17 28 6 15 13 17 11 17 19 6 54 9 9 16 4 2 2 4 3 9 61 13 21 0 31 93 3 7 9 4 4 40 3 2 2 16 3 2 3 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 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 4 5 4 5 3 3 2 6 6 8 3 5 5 8 16 37 20 24 100 35 21 9 12 5 5 10 23 6 4 3 3 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 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; 1HNMR: 87 86 dd 1H J 17 45 | 79 78 td 1H J 17 70 | 77 76 d 1H J 9 | 76 76 ddd 1H J 13 44 70 | 75 74 m 3H | 71 70 ddt 2H J 17 86 99 | 65 65 d 1H J 9 | 51 51 dd 1H J 7 53 | 41 41 d 1H J 117 | 40 39 d 1H J 53 | 39 38 d 1H J 117 | 36 35 m 2H | 30 30 dd 1H J 9 143 | 28 27 m 2H | 27 26 dddd 1H J 9 37 59 137 | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1ccc(C2CCC(=O)CC2)cc1 | ir: 2 3 2 6 8 7 4 7 6 2 1 2 3 4 1 3 12 11 3 2 2 2 2 3 2 15 34 15 1 2 3 2 3 6 4 2 3 5 6 1 1 1 3 3 2 1 2 5 11 9 3 3 7 11 23 68 56 5 4 3 3 2 1 2 1 1 2 1 3 19 12 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 2 2 3 3 4 3 2 2 5 7 9 4 4 2 1 1 1 1 1 2 3 4 5 5 4 3 2 4 5 6 4 4 5 6 8 8 15 10 9 10 8 4 2 2 2 1 9 16 2 2 1 1 1 0 1 2 6 7 20 10 21 27 7 3 2 2 6 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 8 4 4 2 3 5 5 3 8 17 19 10 50 100 52 3 5 6 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 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; 1HNMR: 76 75 m 2H | 73 73 m 2H | 29 29 dq 1H J 60 66 | 27 26 ddd 2H J 57 84 148 | 25 24 ddd 2H J 57 84 148 | 21 20 m 2H | 19 18 ddt 2H J 59 84 141 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCc1ccc(C(O)c2ccc3ncccc3c2)cc1C | ir: 7 8 10 5 3 5 7 4 8 2 6 8 5 5 2 6 3 3 2 2 3 5 3 7 5 4 3 4 2 0 1 4 5 1 1 3 2 5 6 22 17 14 4 6 6 3 17 13 8 2 2 3 7 21 53 74 100 84 7 8 2 8 8 18 7 3 3 4 12 21 18 9 5 7 2 1 3 1 6 5 4 3 7 19 56 37 50 8 22 29 24 10 7 19 15 6 11 20 5 6 1 1 3 3 3 23 4 3 5 12 16 4 4 3 5 9 4 7 16 7 8 9 13 10 5 5 8 7 6 9 11 3 2 3 1 2 4 39 18 13 2 3 1 4 9 7 34 28 15 28 20 27 55 6 51 29 90 21 6 3 2 1 5 0 1 1 1 2 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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 2 3 3 2 2 3 2 3 1 2 5 3 2 5 20 13 25 72 76 98 84 15 3 5 5 6 19 1 3 2 1 1 1 0 1 1 0 0 1 1 1 1 0 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 0 0 0 0 0 0 0; 1HNMR: 89 89 dd 1H J 17 41 | 81 81 dt 1H J 21 86 | 81 80 d 1H J 84 | 79 79 m 1H | 76 75 m 1H | 74 73 dd 1H J 41 83 | 72 72 d 1H J 21 | 72 71 m 1H | 71 71 dt 1H J 8 79 | 60 59 m 1H | 27 26 td 2H J 10 86 | 26 25 d 1H J 51 | 23 22 s 2H | 16 15 m 2H | 15 13 m 2H | 10 10 t 3H J 72 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cn(-c2ccnnc2)nc1N | ir: 17 15 2 28 26 10 10 5 2 5 14 7 3 2 4 3 2 2 2 2 4 2 4 5 11 4 3 2 1 1 14 24 23 25 13 7 4 10 8 7 3 2 4 4 8 6 4 4 3 3 4 3 3 0 2 3 2 0 1 2 1 1 3 2 5 0 2 5 3 6 4 3 7 2 5 5 4 1 3 6 3 7 12 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 7 3 1 1 1 1 1 1 1 1 1 1 2 1 5 3 4 3 2 2 2 7 14 3 2 2 2 3 4 5 9 8 3 3 3 4 3 1 1 1 1 2 27 29 1 1 3 2 3 4 4 20 19 10 24 100 75 50 62 14 2 3 3 3 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 2 3 2 3 3 8 4 5 8 9 5 4 8 4 2 1 1 1 2 2 1 1 1 1 2 7 95 34 1 1 1 1 1 1 1 1 1 2 22 84 16 6 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 93 93 d 1H J 19 | 92 92 d 1H J 44 | 82 81 s 1H | 79 78 dd 1H J 20 44 | 72 71 s 2H | 42 42 q 2H J 64 | 14 14 t 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(C)c(CNC(=O)c2cc(Cl)nc(N3CCCCC3)c2)c(=O)[nH]1 | ir: 2 1 1 1 2 1 1 1 1 2 3 2 0 1 1 2 0 1 3 1 1 1 1 1 3 5 2 1 0 1 2 1 1 11 6 2 2 2 1 7 16 14 13 8 5 3 10 17 21 18 4 12 5 9 6 3 3 1 1 1 2 2 1 0 1 2 3 5 6 5 1 0 1 2 4 11 4 3 1 0 1 1 1 2 3 2 2 1 0 1 0 0 1 1 1 1 11 2 2 1 2 1 0 3 3 2 2 1 2 2 4 1 2 2 2 2 4 2 4 3 5 2 2 3 3 4 3 5 4 2 0 1 2 0 1 4 6 3 2 3 3 0 6 34 100 25 24 12 3 13 7 4 1 1 1 2 8 3 7 3 12 17 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 1 1 1 1 1 2 2 5 9 5 12 11 12 3 3 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 1 4 8 8 11 31 28 29 20 6 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 97 s 1H | 83 82 t 1H J 58 | 75 75 d 1H J 22 | 72 71 d 1H J 22 | 60 59 h 1H J 13 | 42 42 d 2H J 59 | 36 35 m 4H | 24 24 d 3H J 13 | 24 23 d 3H J 11 | 16 15 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nc2cccc3nc(SCCCCCNC(=O)C(F)(F)C(F)(F)F)c1n23 | ir: 4 6 2 1 5 2 4 4 8 2 3 3 2 2 8 13 6 9 4 12 2 3 3 4 31 19 10 3 2 2 3 4 5 35 71 10 10 24 14 4 4 3 6 4 3 2 10 6 8 6 3 0 2 2 1 0 2 3 6 7 2 2 2 2 3 5 8 7 7 4 3 2 4 2 1 3 8 2 2 7 7 1 1 1 1 1 1 0 1 1 1 2 11 9 5 1 1 2 3 7 1 2 4 7 7 5 1 2 3 8 3 2 5 1 2 3 6 4 2 4 5 3 6 6 5 2 5 6 4 2 9 35 9 2 1 2 3 3 15 24 12 2 27 6 11 8 38 100 15 3 3 1 4 5 3 8 34 84 12 3 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 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 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 2 1 1 1 2 2 3 2 2 2 2 1 1 2 20 11 4 1 2 8 29 10 7 3 2 1 2 1 2 1 1 1 2 1 2 7 4 2 3 2 2 9 32 29 27 9 4 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 m 2H | 77 77 m 1H | 70 70 tt 1H J 24 39 | 32 31 m 4H | 27 27 s 2H | 18 17 tt 2H J 61 70 | 16 15 m 2H | 15 14 ttd 2H J 11 64 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1ccc(C2OCCCO2)c(Sc2ccccc2)c1 | ir: 1 2 2 2 3 3 3 3 4 7 10 2 1 2 2 1 2 4 3 1 1 2 2 1 1 2 2 2 3 5 8 10 9 5 12 2 6 19 11 69 100 10 7 8 3 2 2 1 3 3 2 1 2 10 12 16 17 3 3 3 2 2 2 2 3 5 20 12 15 11 6 2 2 6 6 19 11 7 8 9 5 9 3 2 5 2 2 6 3 4 2 2 6 8 13 3 3 2 2 2 8 2 1 2 2 2 1 2 3 2 2 3 6 4 1 3 4 3 3 4 4 2 1 5 11 8 3 4 2 1 1 2 2 4 6 4 2 1 1 2 6 12 7 6 2 2 2 3 8 9 5 5 5 4 2 2 2 1 2 8 2 1 2 3 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 6 3 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 3 3 4 4 2 3 2 2 3 22 22 1 19 68 32 12 6 0 3 3 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 d 1H J 20 | 76 75 m 2H | 74 73 m 2H | 73 73 m 2H | 72 72 tt 1H J 14 69 | 58 58 s 1H | 40 39 ddd 2H J 40 67 109 | 39 38 ddd 2H J 40 68 111 | 23 21 dtt 1H J 40 68 148 | 16 15 dtt 1H J 40 68 148 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Fc1cnc(Br)cc1C1OCCO1 | ir: 10 5 1 6 13 11 7 8 11 6 4 10 10 6 9 30 43 35 53 45 23 30 37 14 33 21 38 56 39 20 6 11 10 3 7 20 44 7 7 10 8 2 5 16 28 5 6 9 8 6 9 10 11 14 13 13 40 23 26 69 87 16 15 26 15 10 66 45 16 1 7 10 9 14 63 52 28 29 28 33 59 19 89 18 14 13 15 25 50 54 12 12 4 4 8 8 5 13 33 12 2 6 10 15 78 12 21 15 11 16 16 9 1 8 12 10 3 18 17 21 30 52 17 17 14 11 9 5 4 9 10 32 46 17 11 4 2 7 8 3 3 7 7 3 3 8 8 3 3 8 6 7 10 7 6 2 4 6 16 100 36 17 8 1 4 10 6 0 5 10 5 0 5 10 5 0 6 9 5 1 6 8 4 1 6 8 3 1 6 8 3 2 6 8 3 2 7 7 3 2 7 7 2 3 7 6 2 3 8 6 2 3 8 6 2 4 8 6 1 4 8 5 1 4 9 5 1 5 9 5 1 5 9 5 1 5 8 4 1 6 8 4 2 6 8 4 2 6 7 3 2 6 7 3 3 7 7 3 3 7 7 3 3 7 6 2 4 8 7 3 4 9 7 3 6 13 9 9 7 9 9 7 8 12 24 10 16 66 47 9 7 10 5 2 6 8 4 2 6 8 4 3 6 7 3 2 6 7 4 3 6 7 3 3 7 6 3 3 7 6 2 3 7 6 2 4 7 6 2 4 7 5 2 4 8 5 2 4 8 5 1 5 8 5 1 5 8 4 2 5 8 4 2 5 7 4 2 5 7 4 2 6 7 4 3 6 6 3 3 6 6 3 3 6 6 3 3 7 6 3 4 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 8 5 2; 1HNMR: 85 85 s 0H | 85 84 s 0H | 77 76 dd 1H J 7 39 | 61 60 m 1H | 41 40 m 2H | 39 39 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(Cl)(Cl)CCCCCCCCCCCCBr | ir: 11 14 0 32 52 23 17 16 9 9 7 7 9 10 8 7 7 8 7 6 6 7 8 21 9 8 8 7 6 7 6 7 8 9 34 19 9 12 12 9 24 7 14 10 10 6 7 8 6 7 7 9 8 6 9 10 9 5 11 8 7 7 7 7 9 13 12 11 7 11 8 9 9 11 11 58 30 10 9 8 6 6 7 6 6 8 11 9 6 6 7 7 7 7 10 8 7 8 7 8 7 9 11 14 45 46 13 72 67 97 72 40 17 27 19 20 20 27 28 54 25 16 17 8 10 11 9 9 25 11 10 7 5 7 8 6 6 8 7 6 6 7 13 19 67 33 9 6 6 7 7 7 6 7 7 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 6 7 6 5 7 7 6 6 7 6 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 7 7 6 6 7 7 6 6 7 7 7 6 7 7 6 7 9 7 10 8 12 13 21 43 14 17 15 10 16 16 13 32 35 100 40 11 9 10 8 9 6 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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: 44 43 q 2H J 60 | 34 34 t 2H J 47 | 24 23 t 2H J 80 | 18 17 tt 2H J 48 76 | 17 16 tt 2H J 69 81 | 15 14 m 2H | 14 13 m 6H | 13 13 m 1H | 13 13 m 1H | 13 12 d 6H J 20 | 13 12 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(COC[C@H](NC(=O)OC(C)(C)C)C(=O)O)COC1 | ir: 2 6 2 3 2 3 4 2 5 5 3 4 11 9 9 7 13 7 14 9 100 29 8 9 6 3 2 3 1 8 26 96 41 9 6 7 5 2 3 5 3 1 3 3 2 1 3 3 2 0 2 3 3 1 3 5 3 2 2 3 2 3 4 3 4 3 4 5 13 7 2 3 2 3 5 7 19 10 23 23 3 4 5 7 4 9 3 2 3 2 2 2 2 2 5 3 6 3 8 5 2 2 4 2 2 3 5 4 2 2 4 2 1 2 2 2 3 3 4 7 5 12 19 7 5 4 3 4 4 5 5 5 2 5 3 2 2 2 2 2 2 5 14 3 11 31 10 3 6 55 11 1 2 3 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 5 2 1 2 3 2 2 2 3 4 4 2 10 16 4 5 6 2 1 2 3 2 0 3 9 60 80 7 3 2 3 1 1 2 2 2 2 2 3 5 8 19 29 8 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 2 1 1 1 2 1 1; 1HNMR: 63 62 d 1H J 88 | 43 43 dt 1H J 42 84 | 39 38 m 4H | 37 36 m 4H | 36 35 s 2H | 14 14 s 8H | 11 10 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(CCOC1CCCCO1)(C(=O)OCC)c1ccccc1 | ir: 8 20 37 28 45 23 7 16 8 15 23 21 24 17 10 3 1 4 4 2 3 4 4 1 1 2 3 7 2 5 11 41 34 22 20 3 1 4 9 0 6 100 21 11 6 6 3 4 20 12 3 4 3 4 4 1 4 6 5 5 3 2 2 5 3 13 8 7 23 9 27 25 14 18 25 86 38 19 11 13 17 3 7 2 5 11 5 1 2 2 2 2 1 4 3 5 3 2 4 7 5 6 4 3 5 5 6 27 55 68 45 54 23 24 33 26 14 48 16 12 15 9 8 15 7 9 8 14 37 17 5 3 5 7 9 24 9 5 3 2 3 7 12 28 26 89 65 38 6 6 2 3 11 13 27 3 2 1 1 3 4 2 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 2 2 2 3 7 5 2 3 6 8 11 7 7 5 5 5 9 14 51 66 22 76 47 82 12 7 5 2 5 3 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 5H | 47 46 t 1H J 34 | 43 42 m 4H | 39 38 dt 1H J 69 121 | 38 37 m 2H | 36 35 m 1H | 26 25 dt 1H J 69 148 | 25 24 dt 1H J 69 150 | 18 16 m 2H | 16 15 m 4H | 12 11 t 6H J 60 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)C1CCC(Oc2ncnc3sc4c(c23)[C@@H](C[C@@H](O)c2cc[nH]n2)CC4)CC1 | ir: 2 4 3 2 4 2 6 3 4 5 5 7 2 3 6 6 4 4 5 1 2 2 3 4 1 1 1 1 1 2 1 0 1 4 4 1 2 9 12 70 25 16 13 100 9 3 3 3 1 1 3 6 6 2 2 4 4 0 7 11 2 4 4 2 1 5 3 3 2 1 2 3 2 2 1 1 5 6 7 5 2 1 2 1 7 8 21 24 20 40 12 8 9 14 16 45 1 2 2 4 3 7 2 4 19 3 6 8 5 6 4 6 2 3 3 1 1 3 4 7 3 3 6 5 3 7 3 5 6 8 9 4 6 5 19 2 2 15 4 2 1 1 2 9 7 2 1 1 3 11 5 4 93 11 2 5 54 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 1 1 1 2 5 4 2 1 2 3 2 1 4 5 12 9 3 3 3 2 4 14 7 3 8 51 4 2 1 1 1 1 0 0 0 1 0 0 0 1 0 0 2 6 16 1 2 0 2 1 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: 85 85 s 1H | 74 74 dd 1H J 18 35 | 61 60 d 1H J 20 | 51 50 m 1H | 49 48 p 1H J 57 | 48 47 d 1H J 53 | 30 29 dddd 1H J 16 53 71 142 | 29 28 m 2H | 27 26 m 1H | 25 24 ddd 1H J 70 84 157 | 23 22 d 7H J 15 | 22 20 m 3H | 19 18 m 3H | 18 17 ddt 2H J 55 81 136 | 17 16 dddd 2H J 54 66 81 122 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1=C(CC(=O)O)C(c2ccccc2Cl)C(C(=O)N2CCN(c3ccccc3)CC2)=C(C)N1 | ir: 9 22 17 3 3 5 11 6 5 6 6 9 9 5 5 4 4 5 11 11 13 28 22 20 12 8 8 3 4 4 4 2 3 2 6 13 4 2 6 7 36 56 27 4 9 7 6 4 3 4 2 1 3 10 2 1 1 5 3 1 2 4 2 0 2 3 3 0 6 13 13 10 2 4 7 4 12 20 37 19 9 6 5 3 7 5 3 4 7 14 6 6 7 9 3 7 3 3 7 2 5 4 3 2 4 4 4 10 15 4 3 2 3 2 1 3 5 8 4 5 5 4 2 3 4 3 4 6 5 5 2 2 4 4 8 14 5 16 5 9 8 13 8 21 64 16 6 4 17 6 4 6 41 30 8 4 4 4 2 6 3 21 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 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 2 1 1 2 1 2 1 2 2 2 2 2 3 3 5 4 2 2 3 3 3 6 17 11 21 26 18 5 3 1 3 4 1 1 10 14 3 3 2 2 3 2 3 2 1 2 2 3 6 61 100 11 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 m 2H | 73 73 ddd 1H J 7 15 75 | 73 72 m 3H | 72 71 s 1H | 70 69 m 2H | 69 68 tt 1H J 13 77 | 54 54 h 1H J 9 | 36 35 m 4H | 34 33 m 5H | 32 31 dq 1H J 10 176 | 22 21 d 3H J 11 | 20 19 q 3H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCC(O)C(=O)Nc1ccc(C)cn1 | ir: 1 1 3 4 4 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 0 1 1 2 2 1 1 1 2 3 3 2 3 5 5 1 0 0 1 1 0 0 1 3 2 3 4 1 1 1 0 0 0 0 0 1 0 1 0 0 1 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 2 7 8 6 2 2 0 1 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 9 3 2 2 1 0 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 2 2 1 1 0 1 3 100 33 12 3 1 1 0 0 0 0 0 0 0 0 0 0 2 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 80 80 m 1H | 77 76 m 1H | 74 73 d 1H J 78 | 45 44 m 1H | 44 44 d 1H J 55 | 39 38 dd 1H J 49 124 | 37 36 dd 1H J 49 124 | 33 33 s 3H | 23 23 d 3H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)CNC(=O)CCS | ir: 4 6 6 9 10 5 7 4 7 4 7 5 1 2 3 2 2 4 7 6 7 16 14 12 7 9 14 45 43 85 90 47 51 32 12 7 10 22 19 30 34 10 11 11 10 19 23 15 4 5 2 2 4 7 4 10 13 10 7 6 3 6 7 6 7 5 4 4 3 3 5 8 9 14 11 5 4 2 2 1 2 3 2 1 2 3 1 2 2 2 2 2 5 3 3 5 8 6 3 5 6 8 3 5 6 15 17 20 7 7 5 6 7 8 11 8 15 19 25 60 36 20 25 29 21 28 16 10 16 17 14 6 4 3 5 3 5 5 4 6 6 21 41 69 100 100 41 36 53 7 6 7 5 1 2 4 2 0 2 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 1 1 1 2 2 0 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 7 9 11 8 5 3 1 1 2 2 1 1 2 2 1 1 3 4 1 3 3 5 3 4 9 13 13 10 6 4 3 5 10 11 26 14 12 9 2 3 4 2 2 2 2 2 2 2 2 2 2 2 3 2 2 5 5 9 9 37 42 72 55 43 37 30 9 10 5 3 2 4 3 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 76 t 1H J 60 | 42 42 q 2H J 66 | 39 39 d 2H J 62 | 28 27 dt 2H J 59 71 | 25 25 t 2H J 59 | 19 18 t 1H J 70 | 13 12 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)Cc1c2n(c3ccccc13)CC(n1nncc1COc1ccccc1)CC2 | ir: 4 4 2 2 4 4 4 10 8 20 11 10 18 4 7 4 9 9 5 7 13 20 18 13 11 14 5 4 3 6 4 4 4 5 6 3 3 4 3 10 14 25 96 16 4 7 9 7 3 4 2 3 2 3 4 3 2 2 4 5 4 3 3 2 3 3 5 7 14 9 4 13 5 3 5 7 10 23 69 37 13 7 5 10 6 3 14 3 3 2 3 2 2 4 2 3 2 4 3 4 8 9 3 3 2 3 5 6 1 3 4 4 3 5 5 4 4 10 9 7 7 7 6 5 5 3 5 9 5 3 6 5 2 3 4 5 4 4 20 5 11 6 16 50 7 10 7 3 3 3 4 12 10 3 5 2 2 2 2 5 2 2 2 1 2 2 2 1 2 2 2 1 2 3 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 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 1 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 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 3 3 8 5 4 4 2 4 5 4 9 14 22 20 48 37 6 7 0 6 12 10 7 74 100 14 13 3 0 3 4 2 0 3 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 77 77 t 1H J 9 | 76 75 m 1H | 74 72 m 4H | 72 72 td 1H J 13 70 | 70 70 tt 1H J 15 75 | 70 69 m 2H | 54 53 m 2H | 49 48 tt 1H J 27 42 | 44 44 dd 1H J 28 144 | 42 41 dd 1H J 28 144 | 38 37 s 2H | 30 29 ddd 1H J 51 79 143 | 29 28 ddd 1H J 53 79 143 | 23 22 dddd 1H J 42 51 79 132 | 21 20 dddd 1H J 43 53 81 133 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc(N)c(C(=O)Nc2ccc(Cl)cc2)c(OC)c1 | ir: 1 1 2 1 1 1 3 1 2 2 4 3 4 2 5 2 2 4 3 3 2 4 6 10 1 6 4 4 5 5 3 2 5 2 3 3 5 2 2 1 1 1 1 1 2 1 9 7 6 11 3 0 2 4 4 16 12 5 2 1 1 2 1 1 2 5 7 24 3 5 3 3 1 0 2 2 2 1 1 1 2 2 4 8 1 4 1 3 2 1 1 1 1 1 1 1 1 3 1 1 2 2 1 2 8 1 1 1 1 1 0 1 2 1 1 1 3 5 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 4 9 2 1 1 1 2 8 8 33 10 5 8 18 9 5 4 12 100 17 7 19 39 5 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 16 19 25 3 2 1 1 2 1 0 1 1 1 1 1 1 1 1 2 28 8 1 2 3 9 14 14 6 10 4 9 30 69 22 10 3 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 s 1H | 77 77 m 2H | 74 74 m 2H | 66 66 s 2H | 63 62 d 1H J 22 | 61 60 d 1H J 22 | 39 39 s 3H | 38 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)CNc1nccnc1Cl | ir: 3 3 2 3 5 5 4 5 4 6 22 100 19 6 9 15 11 93 14 23 12 7 7 5 5 2 2 5 4 1 1 4 3 1 2 4 3 1 2 9 3 1 2 4 3 1 3 4 4 2 5 5 3 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 3 2 4 7 4 7 4 4 2 1 3 3 1 1 3 4 9 12 6 3 2 2 3 4 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 0 2 3 2 1 3 28 11 6 4 5 3 2 4 9 8 11 61 27 9 3 4 5 3 3 6 15 6 2 8 14 21 11 16 5 4 5 6 5 2 2 4 3 19 30 7 4 0 27 14 3 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 1 3 4 3 2 3 3 3 2 3 5 5 3 4 4 2 2 2 3 2 1 3 3 2 1 2 3 2 1 3 3 3 2 3 3 8 12 23 16 41 26 6 6 3 3 4 3 2 2 4 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 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 81 80 d 1H J 33 | 80 79 d 1H J 33 | 68 68 t 1H J 63 | 45 44 d 2H J 64 | 21 21 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NCC1(O)CCCCCC1)c1cc(-c2cc(CCO)on2)ccc1Cl | ir: 1 3 8 4 5 6 6 4 9 7 4 4 3 3 3 2 3 4 8 6 7 3 5 3 5 4 8 6 7 6 6 5 12 9 5 1 3 4 3 5 8 9 25 16 10 8 6 5 3 6 5 6 5 20 16 3 3 3 2 0 2 3 4 3 2 4 3 3 17 20 13 5 14 14 17 12 9 19 8 7 8 3 3 3 2 12 9 14 15 11 19 31 47 17 20 4 6 6 6 2 5 8 1 3 4 2 1 5 3 2 2 3 7 6 7 3 4 2 3 3 11 10 4 7 20 6 6 10 4 2 4 9 3 5 4 23 9 6 10 10 8 3 4 9 6 26 15 29 22 9 5 19 18 6 6 10 8 8 2 1 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 2 2 6 3 2 4 6 1 6 9 4 1 4 6 6 9 22 10 10 13 19 14 7 7 13 22 17 100 33 14 6 5 4 3 1 2 3 4 6 10 5 11 10 18 15 18 13 7 3 4 3 2 1 2 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 84 84 d 1H J 18 | 77 76 m 2H | 74 74 t 1H J 60 | 65 64 t 1H J 9 | 39 38 q 2H J 61 | 36 35 d 2H J 59 | 35 34 t 1H J 58 | 31 30 m 3H | 17 16 m 2H | 15 13 m 10H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)CN1Cc2ccccc2N(C(=O)c2ccc(OCCO)cc2Cl)CC1=O | ir: 3 5 1 3 5 3 3 7 7 8 6 7 5 7 8 5 5 6 14 23 87 51 38 12 15 8 3 4 2 8 1 2 8 1 2 2 2 3 14 10 5 19 13 23 7 7 2 3 3 2 3 2 2 6 7 3 3 4 2 2 1 1 2 2 4 1 6 3 3 3 2 2 3 8 7 2 12 13 98 29 9 3 4 17 6 25 33 23 12 11 5 4 5 10 7 3 3 2 3 2 3 5 2 1 9 3 3 2 3 2 2 3 1 1 2 3 3 2 6 5 10 4 14 10 10 4 4 12 2 2 2 2 3 3 3 5 2 10 12 17 5 2 16 35 36 4 6 14 47 28 5 3 2 5 3 0 1 2 1 1 3 14 4 0 2 2 1 0 1 2 1 0 1 2 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 2 3 5 2 2 2 2 4 4 10 3 4 13 99 9 13 3 2 3 8 25 100 87 50 57 22 6 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 d 1H J 89 | 73 72 m 2H | 72 72 dd 1H J 15 73 | 71 71 d 1H J 21 | 71 70 ddd 1H J 15 74 87 | 68 68 dd 1H J 22 90 | 46 45 d 2H J 8 | 45 45 s 2H | 42 42 s 2H | 41 40 t 2H J 47 | 38 37 dt 2H J 47 62 | 33 32 t 1H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCCOc1ccc(I)cc1C[C@@H](C(=O)OC)[C@H]1CCCN1C(=O)OC(C)(C)C | ir: 2 8 8 4 16 17 22 25 18 12 4 28 44 10 10 12 5 4 4 4 3 5 3 2 3 5 3 4 4 5 3 1 2 1 2 2 3 2 4 1 3 3 2 2 3 3 5 1 2 2 3 6 18 23 46 6 8 6 7 0 4 6 6 6 4 8 6 12 18 12 5 8 6 4 4 3 3 5 6 5 5 8 4 1 1 2 5 2 2 2 2 2 7 10 4 4 4 6 5 6 4 11 6 10 20 15 5 16 8 40 44 48 41 13 21 19 4 12 8 11 11 11 19 10 12 7 4 10 8 12 22 42 23 16 5 6 4 4 2 3 3 5 5 13 6 32 40 9 3 4 13 100 5 2 1 2 2 0 1 1 2 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 3 4 4 3 4 3 5 8 6 4 8 8 13 27 52 14 13 28 20 5 5 2 2 2 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 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 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; 1HNMR: 75 74 m 2H | 67 66 d 1H J 85 | 45 44 dddt 1H J 18 36 56 86 | 42 41 t 2H J 49 | 37 36 m 7H | 35 35 m 1H | 34 34 s 3H | 33 31 m 2H | 30 29 ddd 1H J 9 84 146 | 20 18 ddddd 2H J 35 67 85 122 174 | 18 17 ddtdd 1H J 18 33 52 70 122 | 17 16 m 1H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNc1nc(C)cc(C(=O)O)n1 | ir: 4 6 7 4 3 4 3 3 3 4 9 11 13 12 16 12 26 13 20 5 2 4 6 11 8 4 2 2 2 3 2 2 2 4 5 36 8 36 4 3 2 3 2 2 2 3 2 1 2 4 3 2 2 3 2 1 2 4 3 3 2 4 2 1 4 4 9 8 7 12 14 17 13 7 3 2 2 2 10 15 8 3 2 2 2 2 3 10 21 8 1 2 3 2 1 1 3 2 1 2 3 3 2 2 3 2 1 2 2 6 11 7 4 2 1 6 6 3 2 2 3 2 1 3 10 8 4 4 4 3 4 6 4 2 1 2 3 16 3 4 5 0 19 6 45 2 3 3 7 19 4 4 3 1 1 4 3 0 2 33 23 6 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 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 4 3 8 3 6 2 2 4 3 0 3 11 73 100 9 0 3 3 2 1 3 4 3 4 4 4 4 9 25 26 18 4 3 3 2 2 3 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 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; 1HNMR: 74 73 s 1H | 58 57 q 1H J 47 | 30 30 d 3H J 47 | 25 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCC(c1ccc(OC)cc1N1CCCCC1)C(C(N)=O)c1ccc(C(=O)OCC)cc1 | ir: 7 3 3 2 5 3 2 3 8 5 5 4 7 5 5 14 11 4 7 24 8 6 9 11 10 7 27 8 10 5 3 3 4 9 10 9 5 6 2 4 4 5 2 2 2 1 3 5 3 10 5 5 4 3 35 25 9 2 4 3 4 6 3 3 2 2 3 7 7 7 23 8 6 3 5 4 5 10 3 4 4 2 2 2 2 4 4 3 1 4 3 4 2 4 3 4 2 3 4 6 3 4 3 2 2 3 7 7 2 4 6 5 5 7 9 8 24 18 6 7 8 4 3 5 7 6 4 3 3 3 3 2 2 4 2 1 2 2 2 2 2 2 6 28 13 11 34 4 1 9 12 21 6 4 10 9 2 30 23 1 3 4 5 4 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 3 3 3 2 2 3 3 3 5 13 17 6 23 44 14 6 3 3 1 1 2 2 1 1 2 2 1 1 2 2 4 6 2 2 1 1 2 2 1 1 2 3 2 100 94 4 4 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 79 m 2H | 74 73 m 2H | 71 71 dd 1H J 7 84 | 67 67 dd 1H J 25 85 | 64 64 s 2H | 64 64 d 1H J 24 | 44 43 q 2H J 64 | 39 38 m 1H | 38 38 s 3H | 35 34 m 1H | 34 33 m 4H | 20 19 ddt 1H J 64 77 132 | 18 15 m 7H | 15 14 dddd 1H J 8 66 127 136 | 14 13 m 4H | 10 9 t 3H J 72 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
OCCN1CCNC1=Nc1ccccc1N1CCOCC1 | ir: 6 7 11 7 25 4 4 25 7 15 10 13 9 22 13 21 38 28 9 12 32 50 19 23 15 27 18 21 33 53 19 14 23 21 20 93 14 31 59 11 23 43 18 22 36 27 7 7 6 4 34 7 4 7 3 14 3 5 11 15 8 4 3 8 12 3 6 24 5 11 4 2 52 24 8 6 5 11 16 4 3 9 35 1 4 3 2 7 33 18 9 16 75 24 22 93 64 25 16 24 16 17 10 5 7 5 7 7 4 3 6 6 20 6 7 17 8 29 42 11 34 53 9 7 5 9 23 42 17 12 1 11 18 82 5 2 3 40 47 1 2 3 3 2 15 36 3 2 7 21 12 14 78 34 7 23 13 4 4 2 5 2 2 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 3 2 2 2 1 2 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 4 1 4 7 1 3 4 3 2 4 18 13 13 90 33 4 11 6 27 48 70 17 6 5 3 2 3 1 2 1 2 2 2 3 4 4 6 45 100 82 87 26 12 2 2 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1; 1HNMR: 73 72 m 2H | 71 71 dd 1H J 15 81 | 69 68 dd 1H J 16 66 | 59 59 t 1H J 21 | 38 37 m 6H | 36 35 t 2H J 54 | 35 35 t 1H J 63 | 35 34 m 2H | 34 34 dt 2H J 20 26 | 33 32 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H]1Cn2c(cc(OCc3ccc(Oc4ccc(F)cc4)c(F)c3)nc2=O)N1 | ir: 3 1 3 3 2 1 1 1 2 2 2 1 2 4 1 2 0 4 2 1 2 2 2 2 1 1 3 2 1 1 2 1 1 1 1 1 1 2 1 2 1 7 20 41 2 4 2 5 3 2 1 1 2 4 12 7 10 2 2 4 2 2 1 0 1 1 1 3 8 3 2 5 11 25 6 2 3 1 2 1 1 1 1 1 2 1 6 4 3 2 1 1 1 1 1 1 1 1 2 4 2 2 3 5 2 2 1 1 4 2 2 1 9 3 1 1 3 8 34 9 2 2 3 3 3 3 1 3 3 1 1 2 2 3 1 1 1 1 4 19 4 4 5 2 1 1 1 27 2 11 2 8 10 7 100 3 0 3 2 0 30 94 3 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 10 3 11 25 8 8 9 4 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 7 12 32 33 7 5 4 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 71 ddt 1H J 8 17 121 | 71 70 ddt 1H J 8 18 83 | 70 69 m 2H | 69 68 dd 1H J 48 82 | 62 62 d 1H J 51 | 54 53 t 2H J 9 | 51 51 s 1H | 41 40 dd 1H J 7 106 | 40 39 dd 1H J 26 104 | 37 36 m 1H | 12 11 d 3H J 58 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)sc2c1 | ir: 2 4 2 1 6 2 2 5 10 20 12 13 9 10 6 3 4 9 5 3 3 3 2 1 1 1 2 4 4 10 13 3 3 4 8 5 3 4 5 3 6 10 32 16 51 61 26 6 14 25 9 5 5 11 19 10 5 1 6 12 2 1 4 6 4 28 30 9 8 7 18 2 3 3 2 4 5 7 3 4 12 12 1 5 5 19 4 47 51 37 13 5 2 2 1 1 1 3 3 4 5 3 2 1 1 1 2 1 4 1 0 1 2 2 1 1 2 2 0 3 5 3 2 5 22 22 3 4 2 1 1 1 1 2 1 3 1 5 3 4 40 21 9 4 3 3 19 17 5 34 100 18 8 6 4 4 4 1 2 3 14 2 8 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 2 1 1 1 1 1 2 5 11 9 13 33 70 16 5 3 3 2 3 1 1 2 1 1 1 1 1 2 2 1 2 3 1 2 9 14 15 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 0 0 0 1; 1HNMR: 84 83 t 1H J 22 | 80 79 dddd 2H J 11 22 90 192 | 77 77 dt 2H J 45 79 | 76 76 d 1H J 20 | 73 72 td 1H J 18 76 | 72 71 ddt 1H J 8 17 81 | 71 70 dd 1H J 21 78 | 70 70 dd 1H J 14 75 | 69 68 td 1H J 15 79 | 42 42 t 2H J 48 | 38 38 s 3H | 31 30 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCCCCOc1ccccc1 | ir: 1 1 2 1 3 3 2 2 7 3 3 0 1 1 2 1 0 1 1 1 4 2 4 1 1 1 1 1 5 3 5 1 2 2 2 1 2 3 5 35 80 47 13 16 20 1 7 2 2 1 1 2 1 1 1 2 5 5 3 6 7 0 1 7 5 2 8 14 47 15 12 6 14 6 8 3 3 11 17 11 4 2 1 2 1 1 1 0 0 0 0 0 2 2 2 1 1 1 1 1 0 1 0 1 1 1 1 1 4 5 13 6 5 2 8 3 1 6 3 2 6 3 2 1 1 1 1 2 2 1 1 1 0 5 10 18 14 2 2 1 2 4 9 71 8 2 2 1 1 1 5 9 8 4 2 1 0 0 1 9 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 3 3 2 2 3 3 1 1 3 2 7 12 14 12 100 28 27 5 3 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 70 70 tt 1H J 14 75 | 69 68 m 2H | 41 40 t 2H J 58 | 35 35 t 2H J 59 | 33 33 s 2H | 18 17 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=NO)c1nc(-c2cccnc2)[nH]c1C | ir: 8 4 5 13 13 11 8 71 81 17 15 5 1 8 7 4 2 3 4 2 1 3 5 5 3 3 5 4 4 3 7 6 8 18 19 2 2 9 3 5 7 3 2 100 10 5 4 2 4 10 3 2 2 6 14 12 18 6 3 2 5 4 4 7 4 3 7 2 7 6 6 3 4 4 13 3 5 8 28 10 9 15 4 4 3 3 4 3 3 3 3 5 3 59 0 2 8 5 3 4 6 40 13 5 3 3 2 3 4 4 2 2 9 19 4 10 10 12 14 5 5 3 2 3 4 3 3 3 3 3 2 3 6 6 11 4 7 11 2 3 3 2 17 2 2 3 9 4 2 14 0 3 26 0 8 8 3 1 3 4 3 41 12 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 4 4 10 6 4 6 7 9 3 3 3 3 4 3 9 19 4 2 3 3 3 2 2 2 3 3 2 3 5 5 7 11 9 8 13 8 4 2 2 3 4 2 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 1 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 3 2 1 2 3 2 1 2 3; 1HNMR: 98 98 s 1H | 94 94 d 1H J 21 | 87 87 dd 1H J 18 49 | 85 84 dt 1H J 19 84 | 73 73 dd 1H J 48 83 | 25 25 s 3H | 25 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CS(=O)(=O)c1ccc(C2=C(CCCCCO)c3ccc(O)cc3CCC2)cc1 | ir: 1 2 4 3 1 1 2 2 3 1 4 5 0 1 2 2 1 2 2 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 5 0 1 1 1 1 1 0 1 0 1 1 1 1 2 4 2 2 4 47 2 4 1 0 1 1 1 1 1 14 2 4 1 2 1 1 0 0 1 1 1 1 3 12 38 9 4 2 17 7 3 7 21 7 24 6 4 5 2 1 1 2 3 1 1 1 1 1 1 8 5 2 3 2 2 1 2 1 1 2 2 1 2 3 2 1 1 4 3 2 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 4 1 0 1 2 5 1 0 2 2 1 0 0 0 0 1 1 0 3 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 2 1 2 4 5 5 2 4 3 2 4 5 5 7 9 7 6 32 10 5 1 2 8 16 33 100 29 16 6 5 3 3 2 2 2 3 1 2 2 2 2 1 1 2 2 2 2 1 2 2 2 2 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 78 77 m 2H | 72 71 d 1H J 95 | 70 70 s 1H | 67 66 dd 1H J 22 95 | 66 65 dd 1H J 10 21 | 36 35 q 2H J 58 | 33 32 s 2H | 31 30 tt 2H J 10 79 | 29 29 tt 2H J 10 76 | 28 28 td 2H J 8 89 | 27 26 t 1H J 59 | 20 19 tt 2H J 79 89 | 16 15 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. |
Cc1ccnc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)n3)c2C)c1 | ir: 4 4 1 4 8 10 13 14 7 6 2 20 15 13 11 15 32 18 11 21 8 7 20 13 10 18 36 29 26 30 21 18 18 23 23 10 7 13 21 17 20 8 5 7 5 26 3 6 3 1 3 5 21 7 20 14 6 7 5 4 8 4 7 10 19 23 37 60 30 14 13 23 17 15 15 11 4 4 6 8 5 25 11 9 5 4 17 6 9 5 7 4 3 4 2 7 20 8 13 6 11 9 6 10 22 5 7 9 13 18 20 31 27 13 21 37 23 10 14 13 6 9 6 7 10 37 7 12 17 18 41 54 28 8 10 6 5 3 2 5 5 3 16 4 4 7 44 70 23 4 3 3 9 25 4 3 10 2 13 100 60 9 7 4 36 13 4 0 2 4 2 0 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 2 3 3 4 5 3 3 3 3 3 4 7 23 11 47 63 33 2 7 5 5 3 4 5 3 3 4 4 4 2 3 3 3 3 8 7 4 4 5 21 35 79 90 28 19 5 3 3 3 3 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 86 86 s 1H | 85 85 d 1H J 47 | 80 79 dd 2H J 20 48 | 77 77 d 1H J 16 | 75 75 dd 1H J 22 121 | 71 71 ddt 1H J 7 22 47 | 70 70 td 1H J 22 121 | 39 38 m 4H | 37 36 m 4H | 25 24 s 2H | 24 24 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1cccc(C2C3=C(CCCC3)NC3=C2C(=O)CCC3)c1 | ir: 1 1 4 33 10 1 3 2 5 1 1 7 1 2 1 0 0 2 1 2 0 1 3 0 0 3 1 0 0 1 1 1 2 4 11 9 1 1 1 1 1 1 1 1 1 9 1 2 8 5 2 1 3 1 1 1 2 1 1 0 1 1 1 0 1 1 1 1 4 7 1 0 1 1 1 0 1 2 2 1 1 1 1 1 3 1 4 2 5 2 1 1 1 1 1 1 9 3 1 1 1 3 3 1 1 1 0 1 1 1 0 7 1 1 1 2 2 5 2 2 3 2 2 2 1 2 1 5 5 1 1 1 1 1 1 3 7 1 2 10 7 0 1 1 1 1 1 1 1 0 1 1 4 97 29 1 2 8 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 6 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 1 1 1 2 1 2 15 1 2 28 9 2 1 1 1 1 1 1 1 1 1 4 2 1 1 1 1 0 2 3 2 0 15 100 25 5 2 0 2 1 0 0 2 1 0 0 2 1 0 0 1 1 0 1 1 1 0 0 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 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: 76 76 m 2H | 76 75 dd 1H J 63 71 | 75 74 ddt 1H J 10 22 71 | 74 74 s 1H | 44 44 p 1H J 9 | 29 28 m 2H | 29 27 m 2H | 23 22 m 3H | 22 21 dddt 1H J 10 55 77 152 | 18 16 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1nccc(C(=CN(C)C)C(=O)c2ccc(Cl)s2)n1 | ir: 10 2 0 3 5 3 1 6 5 4 2 3 5 2 1 6 5 2 4 9 10 5 3 4 4 1 1 4 4 2 2 4 4 2 5 6 4 1 3 5 4 1 5 20 24 17 7 13 11 4 5 31 100 0 5 9 3 1 3 5 4 5 5 5 3 11 7 6 2 2 4 9 14 16 12 10 5 2 5 4 2 7 4 4 2 3 4 5 2 6 11 14 8 4 4 4 2 2 4 4 3 2 3 3 3 3 6 7 23 15 15 8 6 8 9 5 4 7 8 3 1 4 6 4 7 22 20 8 3 7 5 3 1 31 5 4 3 3 4 1 7 7 4 1 9 38 28 9 40 12 23 8 4 3 3 10 88 36 7 1 7 9 6 3 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 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 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 4 4 6 4 10 9 8 18 16 12 10 14 6 2 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 84 84 d 1H J 42 | 79 78 dq 1H J 11 21 | 76 76 d 1H J 71 | 73 73 d 1H J 40 | 71 71 d 1H J 71 | 29 28 d 6H J 10 | 26 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
OCc1ccc(F)cc1OC[C@@H]1CO1 | ir: 15 5 4 8 9 8 6 11 16 14 10 11 4 19 7 3 8 7 18 6 7 4 5 1 1 1 1 1 0 2 2 2 1 3 2 2 8 22 5 7 7 1 5 4 4 2 3 4 2 1 2 2 4 11 12 9 6 2 4 10 6 3 1 4 3 4 9 90 73 7 3 1 4 2 1 1 7 24 4 4 4 6 12 23 31 32 34 25 13 21 15 13 22 29 22 17 7 9 9 5 3 1 3 3 2 1 2 1 1 1 2 1 2 2 1 4 3 4 5 8 6 9 9 6 4 4 11 1 1 0 1 1 1 0 0 0 0 1 0 1 0 1 15 12 5 3 3 8 17 17 11 1 9 13 2 3 2 4 3 1 5 22 6 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 2 2 3 2 1 2 2 2 3 10 4 3 10 18 15 23 100 25 20 6 3 11 34 26 9 7 2 2 2 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 ddt 1H J 8 46 78 | 69 68 ddd 1H J 22 80 102 | 65 64 dd 1H J 22 121 | 46 46 dd 2H J 9 59 | 43 42 dd 1H J 40 115 | 40 40 dd 1H J 40 115 | 34 33 qd 1H J 26 39 | 30 30 dd 1H J 37 77 | 26 25 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)OCCn1c(C)nc2c(N)nc3ccccc3c21 | ir: 4 8 2 5 15 4 2 5 11 5 2 6 9 6 5 10 7 2 4 4 4 6 12 8 5 4 2 12 8 1 4 10 6 3 6 3 6 5 3 7 14 38 69 54 16 9 6 5 6 8 3 7 3 2 2 3 2 2 1 3 3 15 4 5 4 9 12 27 14 11 4 8 5 11 20 2 2 2 2 3 4 7 8 5 4 6 15 7 5 1 1 1 3 7 6 4 2 2 2 1 4 1 7 3 1 4 6 4 10 20 12 9 7 6 10 6 14 10 13 30 18 15 14 30 19 18 8 17 23 46 10 3 4 7 4 18 18 5 2 2 9 20 26 9 3 1 4 3 1 14 7 1 4 37 57 6 10 2 1 1 2 2 2 30 15 6 28 2 2 1 0 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 0 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 0 0 0 0 1 0 0 0 1 1 1 1 3 9 8 10 5 10 10 8 5 12 19 18 17 29 16 13 46 24 23 38 100 29 13 9 7 7 9 5 10 13 12 8 7 5 18 38 4 5 2 2 5 17 66 9 1 4 2 3 3 2 2 2 2 3 8 8 5 4 1 2 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 14 78 | 79 79 dd 1H J 15 72 | 77 76 m 2H | 64 63 s 2H | 46 45 t 2H J 42 | 44 44 t 2H J 42 | 25 25 s 3H | 20 20 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cc2cc(C=CC(=O)OC(C)(C)C)ccc2[nH]1 | ir: 3 3 4 3 2 1 1 1 1 5 7 3 3 2 1 2 4 100 5 2 1 1 1 1 1 1 1 0 0 1 1 2 1 1 1 11 1 1 1 1 0 1 1 0 0 1 1 1 3 2 1 2 5 12 2 2 1 0 0 1 1 1 2 2 1 1 1 1 2 2 2 1 2 1 1 0 1 1 1 1 2 8 3 1 0 1 1 0 1 1 1 3 1 1 0 0 2 1 0 1 4 7 26 2 0 0 2 1 1 1 1 1 1 4 3 3 3 9 2 1 1 1 2 4 4 7 2 4 5 5 2 2 1 1 1 1 0 1 1 3 1 1 1 3 13 2 20 1 1 0 1 3 1 2 1 1 1 1 1 2 1 2 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 3 10 16 5 5 12 8 4 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 1 2 2 4 9 11 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 t 1H J 21 | 76 75 m 2H | 74 74 d 1H J 73 | 73 73 d 1H J 22 | 64 63 d 1H J 161 | 44 43 q 2H J 64 | 15 15 s 8H | 14 13 t 4H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C1(c2ccc(-c3ccc(-n4nnc(C)c4NC(=O)OC(C)(C)C)cc3)cc2)CC1 | ir: 6 6 11 3 6 5 3 12 1 22 10 5 3 2 4 2 1 2 13 8 5 6 2 2 1 4 4 2 1 2 2 4 2 3 8 2 5 3 9 4 4 5 9 12 10 9 7 7 27 14 20 13 15 12 100 22 14 9 22 4 2 4 2 1 1 2 3 1 5 12 3 2 1 2 1 2 1 2 1 1 1 2 2 2 4 2 1 3 3 5 2 2 2 2 2 31 8 4 3 8 2 2 1 1 1 1 1 2 2 4 7 3 1 2 2 3 2 5 4 6 5 11 20 17 4 5 8 31 18 21 16 3 4 2 1 1 2 2 3 0 21 3 2 6 42 41 14 27 12 5 22 8 16 3 3 15 12 5 3 5 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 2 4 1 2 2 1 1 2 2 3 2 7 4 15 11 13 18 36 21 4 8 9 9 4 2 2 1 1 1 2 2 2 2 1 2 2 3 2 16 12 10 12 8 82 5 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; 1HNMR: 82 82 s 1H | 78 77 m 2H | 77 77 m 2H | 75 75 m 2H | 74 73 m 2H | 37 37 s 3H | 24 24 s 3H | 16 16 m 2H | 15 14 s 8H | 14 13 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(COc1ccc(OCCBr)cc1)NC(=O)OC(C)(C)C | ir: 2 3 5 2 1 1 3 1 2 3 3 2 2 4 1 2 1 2 1 1 2 1 1 0 1 1 3 2 10 40 19 18 31 66 25 28 10 13 5 4 3 3 1 1 2 1 1 1 0 0 1 4 5 7 21 38 12 2 2 4 3 4 4 5 5 4 10 4 13 7 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 2 4 3 2 2 1 1 2 1 1 1 3 2 2 3 1 1 1 1 2 2 2 1 1 2 1 2 1 2 1 2 3 2 3 6 4 5 2 1 2 3 4 6 8 6 4 2 2 1 1 0 1 1 1 1 2 5 100 18 4 5 7 19 9 9 9 7 8 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 1 1 2 2 2 1 1 1 2 3 5 13 30 17 23 67 30 6 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 2 9 28 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 s 4H | 57 56 s 1H | 44 43 t 2H J 35 | 41 41 s 2H | 38 37 t 2H J 35 | 15 15 s 6H | 14 14 s 9H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)c1cccc(Cc2ncc[nH]2)c1NC(=O)CC1c2ccccc2Oc2ccccc21 | ir: 2 2 2 5 9 3 2 2 2 8 4 2 2 3 2 4 3 6 3 2 1 2 1 1 1 1 2 5 1 2 3 2 1 2 3 6 2 3 5 5 11 23 56 99 10 10 9 32 19 9 5 7 3 2 1 0 1 3 2 2 1 4 3 1 6 3 2 3 2 5 3 6 3 10 9 1 2 2 2 1 3 3 2 2 10 9 34 0 34 12 14 32 7 10 5 9 12 5 5 11 6 9 5 8 8 20 10 9 1 33 11 12 2 4 3 2 1 5 8 10 15 17 9 9 6 3 4 5 5 6 4 16 10 3 7 5 11 26 8 9 59 13 15 9 9 5 42 24 52 16 14 2 2 1 1 2 1 2 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 1 1 1 2 2 3 5 2 3 8 10 16 5 12 5 8 9 9 8 42 49 28 25 97 92 95 6 0 3 4 4 1 5 5 18 100 8 1 3 1 2 2 2 3 6 13 33 22 8 2 2 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 s 1H | 74 73 m 3H | 72 71 m 5H | 71 70 m 2H | 70 69 m 3H | 47 46 m 1H | 41 40 d 2H J 9 | 31 29 m 1H | 29 29 d 2H J 75 | 13 13 d 6H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1ccc2ccn(Cc3ccc(F)c(F)c3)c(=O)c2c1 | ir: 1 2 3 2 1 3 2 10 1 2 3 3 2 6 14 3 3 9 70 3 3 46 75 4 2 3 3 2 9 4 3 2 2 3 2 2 4 3 3 1 4 2 6 2 3 2 14 0 2 4 3 2 6 23 8 26 3 9 2 0 3 3 2 0 2 3 2 4 4 24 3 1 2 3 1 3 7 7 7 5 9 3 1 2 14 10 5 6 3 2 1 1 3 4 1 2 3 4 2 3 14 2 2 2 4 3 1 2 3 1 1 2 6 5 2 4 5 16 2 3 4 2 0 3 14 13 8 6 3 2 2 6 5 5 10 6 3 1 8 35 4 19 2 2 4 3 70 6 12 5 15 5 100 3 2 3 30 2 3 11 2 1 2 2 2 81 2 2 2 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 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 2 2 2 1 2 2 2 2 4 7 16 76 26 43 10 8 3 4 2 1 38 21 5 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 84 83 d 1H J 22 | 81 80 dd 1H J 21 85 | 77 76 dd 1H J 6 86 | 76 75 dt 1H J 9 75 | 72 71 m 3H | 69 69 m 1H | 52 52 q 2H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cccc(C(=NO)c2ccc(O)c(Cl)c2Cl)c1C | ir: 7 13 17 44 55 35 12 22 17 9 8 9 8 4 4 10 12 3 3 2 2 2 1 2 3 1 10 10 3 4 3 9 16 1 3 10 3 4 4 5 5 13 10 5 2 13 15 20 4 2 4 3 3 3 16 30 4 1 3 4 5 5 2 2 1 1 4 4 4 2 3 3 4 12 6 5 24 17 5 1 9 8 5 11 100 91 6 1 2 3 7 11 21 16 18 3 5 5 8 28 41 12 2 1 2 1 3 3 2 2 1 0 0 0 0 1 3 1 0 5 7 2 1 1 1 3 2 3 1 2 3 1 1 2 4 12 10 2 6 19 14 5 1 5 5 3 15 4 3 1 4 8 2 2 1 1 2 2 5 14 6 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 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 0 0 0 0 0 1 0 0 0 0 2 1 2 2 1 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 1 1 2 6 9 9 13 24 20 7 4 3 1 2 12 71 54 6 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 88 | 73 73 dd 1H J 13 71 | 72 72 dd 1H J 72 80 | 71 71 ddd 1H J 7 13 78 | 69 69 d 1H J 88 | 65 65 s 1H | 24 24 s 3H | 23 22 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cccc(-c2sc(C)nc2CO)c1 | ir: 8 8 0 5 7 5 1 5 7 2 0 4 6 2 1 5 5 3 5 5 5 2 2 4 5 2 1 4 4 2 4 7 4 1 2 6 5 3 2 5 3 1 2 5 5 9 24 32 10 1 3 8 3 0 4 13 8 3 5 13 7 12 17 12 8 4 7 14 13 5 5 8 4 1 4 5 5 5 9 9 5 4 5 7 8 4 6 5 8 23 41 26 12 3 6 8 3 2 5 5 1 3 6 5 4 7 9 8 5 6 6 3 0 3 6 3 1 3 5 4 1 4 7 5 2 7 13 6 3 5 6 2 1 4 5 3 2 4 5 3 12 29 9 1 1 4 4 1 1 5 4 2 4 7 7 12 9 4 3 1 2 9 4 1 2 5 3 0 2 5 2 0 2 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 3 2 2 4 4 1 2 5 4 2 3 5 4 2 4 7 5 3 4 6 7 3 4 9 9 10 9 66 42 11 9 6 5 6 9 100 37 0 4 5 3 2 7 5 2 1 4 4 2 1 4 5 2 2 5 5 2 2 4 4 1 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 74 73 ddd 1H J 13 20 73 | 73 73 t 1H J 76 | 72 71 t 1H J 22 | 69 69 ddd 1H J 13 21 77 | 48 47 d 2H J 51 | 40 40 t 1H J 51 | 39 38 s 3H | 28 27 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(C#N)c(=O)n1-c1ccc(F)cc1Cl | ir: 2 1 2 2 2 1 1 2 1 1 1 1 0 1 6 5 1 1 3 2 1 1 1 2 0 1 1 0 1 4 2 1 1 2 1 0 1 1 1 1 1 1 1 0 1 2 1 2 10 42 5 1 3 30 27 2 4 2 2 2 7 4 2 1 2 3 3 23 7 5 4 1 1 1 1 1 1 1 2 2 4 1 1 12 2 4 1 1 2 16 1 1 1 1 1 1 1 1 1 1 1 2 3 2 31 2 2 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 4 3 1 1 2 1 12 1 4 33 2 2 16 2 1 2 3 1 2 1 26 0 24 1 1 2 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 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 2 4 6 3 2 100 12 26 9 6 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; 1HNMR: 77 77 dd 1H J 46 88 | 76 76 dq 1H J 10 73 | 73 72 dd 1H J 22 121 | 71 71 ddd 1H J 22 88 104 | 61 61 dq 1H J 15 71 | 25 25 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cnc(N(Cc2ccc(OC)cc2)c2ccc(N3CCOCC3)nc2)cc1N | ir: 1 1 3 2 3 1 3 5 3 5 9 7 6 5 5 3 2 12 4 6 4 4 2 2 1 1 2 2 1 2 3 1 2 1 2 2 7 11 4 5 7 3 2 2 2 3 1 2 1 2 1 2 6 9 9 12 2 4 3 5 1 3 2 4 10 10 16 6 4 5 2 3 4 5 2 3 3 2 2 2 1 7 5 1 3 1 1 4 2 1 1 1 2 1 1 1 2 3 5 2 2 2 2 1 1 1 0 0 1 1 0 3 5 4 5 3 2 2 0 1 4 5 4 4 3 3 1 3 2 3 2 1 2 1 3 2 2 5 4 2 9 4 13 4 1 1 1 3 7 8 2 12 22 6 9 8 20 24 3 1 1 3 46 55 11 2 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 2 3 2 9 21 10 7 2 1 1 1 0 1 0 1 0 0 1 1 0 0 3 17 68 3 1 0 1 1 1 1 1 1 4 12 100 9 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H | 85 84 d 1H J 18 | 74 74 dd 1H J 19 80 | 72 72 dp 2H J 9 82 | 68 68 m 2H | 67 67 d 1H J 80 | 63 63 s 2H | 62 62 s 1H | 50 50 d 2H J 9 | 43 43 q 2H J 64 | 38 38 m 7H | 37 36 dd 4H J 47 55 | 14 14 t 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc2c(n1)c1c(-c3c(C)cccc3C)cccc1n1c3ccccc3nc21 | ir: 1 2 2 2 1 8 2 3 2 1 2 2 1 1 2 7 3 1 1 3 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 3 2 4 12 26 13 8 17 38 13 6 21 16 5 2 2 2 30 21 13 13 2 2 1 0 2 9 12 3 4 3 3 7 4 8 6 7 4 2 2 5 3 3 3 2 5 12 20 11 3 1 1 2 1 2 9 3 6 6 1 1 1 1 5 8 1 1 1 1 1 2 3 3 4 2 1 2 1 1 1 2 12 3 1 1 1 3 12 7 3 4 8 8 3 3 7 14 4 3 20 8 7 4 17 74 47 15 4 0 5 16 28 17 5 2 2 3 6 2 8 12 22 0 7 4 1 3 6 70 76 4 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 1 1 1 0 0 0 1 0 0 1 0 1 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 2 1 1 1 2 2 4 4 3 4 2 5 17 8 20 48 100 35 30 20 5 9 5 5 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 1H J 80 | 83 82 dd 1H J 12 63 | 81 81 dd 1H J 14 72 | 79 78 m 2H | 78 77 dd 1H J 13 71 | 75 75 m 2H | 75 74 td 1H J 13 71 | 72 72 m 3H | 26 26 d 3H J 7 | 24 24 s 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
OCC1C=Cc2cc(I)ccc2O1 | ir: 1 1 1 1 1 2 1 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 9 1 1 1 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 8 7 3 1 1 1 1 1 1 1 1 1 1 1 4 3 1 1 1 1 1 1 2 1 1 1 1 3 5 1 1 2 4 24 16 8 3 1 2 3 1 1 1 1 1 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 7 1 1 1 1 1 11 2 2 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8 24 6 5 2 1 1 1 2 6 100 2 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; 1HNMR: 76 76 d 1H J 23 | 75 74 dd 1H J 22 79 | 68 67 m 2H | 62 62 ddt 1H J 9 64 102 | 48 47 dtd 1H J 17 36 64 | 41 41 t 1H J 61 | 41 40 dddd 1H J 8 36 62 110 | 39 38 dddd 1H J 9 37 60 110 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NCC1CCN(S(=O)(=O)c2cccc3ccccc23)CC1)C1CCCCC1 | ir: 2 6 11 29 15 17 19 8 16 6 5 19 21 6 12 12 5 14 18 8 11 19 15 17 4 12 24 7 7 11 11 17 15 15 13 26 24 66 22 10 9 22 9 11 11 41 44 7 12 7 6 3 7 6 12 25 9 8 7 4 5 7 26 4 11 13 7 0 11 9 6 7 16 30 9 11 14 14 27 54 24 6 8 8 53 99 50 100 59 16 3 3 12 10 6 6 19 80 8 14 17 5 8 10 21 37 22 14 35 11 6 16 24 7 6 7 7 6 10 9 13 10 11 11 5 8 13 4 10 10 9 9 13 18 5 30 4 12 4 7 8 6 7 41 35 77 40 62 46 15 9 19 71 6 4 4 3 6 21 4 3 2 2 2 2 2 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 3 2 6 12 7 5 6 7 7 10 5 12 15 22 17 37 74 88 21 9 8 12 3 4 3 2 1 2 3 3 2 2 3 4 2 4 4 6 29 28 41 75 31 13 6 4 4 3 3 3 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 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 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 86 85 dd 1H J 15 74 | 80 79 m 2H | 80 79 dt 1H J 16 78 | 78 77 dd 1H J 75 88 | 76 75 m 2H | 66 65 t 1H J 62 | 33 32 ddd 2H J 68 93 127 | 32 31 ddd 2H J 68 95 127 | 31 30 dd 2H J 49 62 | 23 22 m 1H | 20 18 m 4H | 18 15 m 8H | 15 14 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)CN(C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C)c1ccc(N2CCOCC2=O)cc1 | ir: 17 26 24 15 6 21 24 13 4 9 18 15 17 29 20 29 5 11 19 11 8 13 16 16 38 31 28 10 9 11 9 5 6 8 9 13 8 12 47 12 7 10 12 5 9 9 9 3 8 12 32 9 10 24 33 16 12 19 10 4 19 18 12 7 12 14 12 7 9 8 9 2 9 14 10 11 18 15 6 5 14 11 18 10 8 9 5 7 12 11 7 8 17 11 6 7 8 8 8 10 14 14 6 9 17 14 12 9 19 33 8 10 19 8 10 9 9 11 14 24 21 22 14 11 14 32 13 24 16 18 11 39 56 14 14 9 8 7 6 8 9 8 10 9 38 8 12 20 100 44 85 88 52 2 4 12 8 3 5 10 7 2 5 10 7 3 6 10 6 2 6 10 6 2 6 10 6 2 6 9 5 3 7 9 5 3 7 9 5 4 7 8 5 4 7 8 5 4 8 8 4 4 8 7 4 5 8 7 4 5 8 7 4 5 8 7 3 5 9 6 3 6 9 6 3 6 9 6 3 6 9 6 3 6 9 6 3 6 8 5 4 7 8 5 4 7 8 5 4 7 8 5 4 7 8 5 5 7 8 5 5 8 7 4 5 8 8 5 6 9 10 7 6 12 10 6 13 15 11 4 13 12 27 0 39 24 24 42 19 21 9 6 8 10 7 4 7 8 5 4 7 8 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 4 5 7 7 4 5 8 6 4 5 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8 5 4 7 7 5 4 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 4 5 7 6 4 6 8 6 4 6 8 6 4 6 8 6 4 6 8; 1HNMR: 72 72 m 2H | 72 71 m 2H | 47 46 ddt 1H J 15 55 73 | 44 43 m 2H | 43 43 s 2H | 42 42 m 1H | 40 39 m 3H | 39 38 m 2H | 37 37 m 4H | 32 32 d 3H J 14 | 25 24 m 1H | 22 21 ddd 1H J 60 73 132 | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC(N)(CC)c1ccc(C(F)(F)F)cc1 | ir: 2 2 1 1 1 0 0 1 1 0 1 1 0 0 0 0 1 1 1 3 7 1 1 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 1 1 1 0 1 1 0 2 18 23 17 4 5 5 6 6 27 24 13 5 7 7 3 1 3 5 11 5 4 2 2 1 1 2 1 0 1 1 1 2 5 7 2 2 0 2 1 3 3 2 2 0 1 7 58 6 1 1 1 1 1 2 3 0 1 4 1 73 2 1 3 3 2 4 5 2 2 2 9 7 2 3 14 5 9 10 19 26 45 13 7 8 1 0 1 1 1 1 1 1 0 0 1 2 2 5 1 1 4 3 1 1 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 1 1 1 1 1 1 3 2 6 5 17 28 26 1 1 1 1 1 1 1 0 1 1 3 9 17 12 8 9 3 4 2 3 100 75 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dp 2H J 15 69 | 74 73 m 2H | 20 19 dq 2H J 67 150 | 17 16 dq 2H J 67 150 | 17 16 s 2H | 9 8 t 6H J 67 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(C)c(S(=O)(=O)N2c3ccccc3-c3ccccc3C2CC(=O)O)c(C)c1 | ir: 7 3 0 3 6 3 0 16 9 12 13 19 13 12 13 14 12 15 6 20 26 57 68 19 8 12 8 12 25 5 10 7 6 3 3 5 5 3 14 30 8 24 100 27 18 1 4 6 4 6 4 6 6 4 4 5 4 22 28 9 7 3 9 10 9 6 7 4 7 5 7 11 17 16 28 11 14 10 16 46 24 11 18 13 92 6 6 12 31 9 7 14 19 8 5 8 10 15 8 8 3 2 4 4 4 4 5 4 3 3 6 4 3 4 5 4 4 5 8 8 10 14 5 10 14 6 6 6 7 5 5 4 2 6 6 7 10 38 7 6 6 5 10 44 15 55 23 11 5 4 4 6 17 15 5 3 10 3 3 3 25 26 4 1 2 3 2 2 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 3 2 2 3 3 2 2 6 3 2 3 4 6 6 4 9 3 3 7 7 8 24 14 73 82 41 23 13 5 3 3 5 4 65 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 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 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: 79 78 ddd 2H J 12 80 123 | 75 74 m 3H | 74 72 m 3H | 70 70 s 2H | 55 54 dd 1H J 87 94 | 30 30 m 1H | 29 28 m 1H | 25 25 s 6H | 23 23 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1CCc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C#N)c4)C3=O)cc2C1 | ir: 17 7 8 12 26 7 22 7 8 6 6 4 6 4 8 11 7 13 15 13 13 13 4 4 5 4 13 7 5 3 4 12 9 40 19 69 14 3 4 6 5 5 7 6 13 8 5 11 19 11 8 11 16 56 29 16 8 10 11 7 12 5 5 7 10 17 45 27 33 13 25 34 23 4 7 10 3 1 9 8 12 0 28 3 22 98 32 20 27 18 5 16 9 17 10 10 13 31 34 13 5 7 10 6 12 46 46 72 28 27 15 7 6 8 7 4 2 5 7 5 5 12 60 11 5 7 14 5 3 5 7 9 7 6 8 4 2 4 4 5 7 8 12 4 3 6 5 0 19 47 13 3 7 8 13 4 4 4 4 7 3 6 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 5 1 3 4 2 1 3 3 2 1 3 4 2 2 3 4 2 2 3 3 1 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 4 2 2 3 3 2 2 4 4 1 2 4 3 2 3 4 3 3 3 6 6 2 4 7 5 2 5 10 11 7 14 54 41 23 8 6 7 4 3 4 3 3 3 4 3 2 3 3 3 2 5 5 47 100 14 7 3 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 4 3 1 2 4 2 1 3 4 2 1 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 3 1 2 3 3 1 2 4 2 1; 1HNMR: 78 77 tt 1H J 9 22 | 77 77 ddd 1H J 11 21 66 | 76 76 dd 1H J 21 92 | 75 74 m 2H | 74 73 m 1H | 73 72 dt 1H J 9 92 | 64 64 d 1H J 101 | 46 45 dt 1H J 9 123 | 45 44 dt 1H J 9 123 | 43 42 dddd 1H J 18 33 52 103 | 37 36 m 2H | 36 35 ddd 1H J 54 72 127 | 35 34 dddd 1H J 18 54 72 128 | 30 29 m 2H | 28 27 m 2H | 25 24 s 2H | 23 22 dddd 1H J 33 55 71 119 | 21 20 ddt 1H J 53 73 119 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nc2cccc(CO)n2n1 | ir: 3 2 1 2 3 2 1 2 3 4 2 3 4 2 1 3 4 3 2 3 3 4 4 3 3 1 1 3 3 1 1 6 4 2 1 3 3 0 1 3 3 0 2 6 6 3 34 5 2 2 4 32 3 7 4 2 3 2 5 6 4 3 3 3 2 2 2 3 5 2 2 3 2 2 2 2 2 2 2 2 3 3 4 6 7 24 45 45 13 5 22 24 6 5 5 9 7 9 6 10 4 2 4 4 5 2 3 3 2 3 4 3 1 3 4 16 15 7 23 20 3 5 12 4 1 4 4 3 1 4 4 3 3 4 14 16 3 4 3 2 1 2 3 2 4 23 21 9 2 3 2 1 1 3 2 1 1 3 2 1 2 11 17 2 2 3 2 1 2 3 3 3 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 1 3 2 1 1 2 2 2 3 3 4 5 12 3 3 1 11 8 4 10 8 7 8 4 11 13 18 19 26 57 36 24 13 5 3 1 10 100 6 3 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 79 78 dd 1H J 13 90 | 78 77 dd 1H J 77 88 | 74 73 dq 1H J 13 77 | 49 48 dd 2H J 13 55 | 43 43 t 1H J 57 | 26 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)CCN1Cc2ccc(-c3nc4ccc(C5(c6ccccc6)CC5)nc4s3)cc2C1 | ir: 2 3 6 3 3 12 21 15 17 7 11 26 14 15 21 15 2 17 13 39 28 74 50 42 25 7 7 5 4 6 6 10 29 23 2 5 4 9 6 3 43 35 10 8 44 29 5 10 5 0 7 21 13 20 56 11 18 11 5 6 6 6 5 2 7 6 5 5 8 36 4 2 4 4 5 10 20 36 96 86 24 15 16 24 22 8 6 5 4 17 5 5 6 36 17 8 16 11 21 4 8 8 15 11 7 4 2 3 3 3 3 6 23 4 3 5 5 8 10 18 14 33 11 15 31 15 7 8 5 4 3 4 6 6 7 40 73 100 14 4 7 16 25 13 16 13 9 9 10 2 31 39 12 8 8 2 2 4 8 11 4 7 3 3 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 3 7 4 3 4 3 4 9 15 17 21 31 77 94 53 15 15 10 18 2 6 8 46 14 5 3 3 2 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 80 79 d 1H J 70 | 78 78 dd 1H J 21 85 | 75 74 m 2H | 73 72 m 6H | 41 40 dd 4H J 8 36 | 30 29 t 2H J 62 | 26 25 t 2H J 62 | 17 16 m 2H | 15 14 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nc(-c2ccc(F)cc2)c(COCc2ccccc2)c2c1OC(C)(C)OC2 | ir: 2 1 2 2 2 4 1 1 6 3 2 16 2 2 3 9 2 4 2 8 13 5 2 2 3 1 1 6 5 2 6 9 5 3 2 2 15 3 7 6 44 4 7 1 3 2 1 1 1 1 1 1 4 3 6 5 31 6 1 1 3 4 2 2 17 8 3 4 10 4 3 2 11 0 2 1 1 1 3 1 1 1 1 1 1 1 4 2 4 1 1 1 2 3 1 3 2 4 2 2 3 2 3 5 3 16 9 3 3 2 1 2 2 7 5 2 4 4 4 2 2 4 7 2 2 4 3 22 11 6 7 2 2 2 5 14 1 1 1 1 0 2 6 33 6 6 8 44 4 0 1 41 6 3 1 1 1 0 0 1 1 0 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 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 0 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 1 0 1 1 0 0 0 0 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 2 2 2 1 3 16 10 9 28 100 39 10 5 1 3 3 1 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 78 77 m 2H | 74 73 m 6H | 72 71 m 2H | 50 50 s 2H | 49 49 s 2H | 46 45 t 2H J 8 | 25 24 s 3H | 16 15 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2NC(C)=O)cc1OC | ir: 4 3 6 7 6 4 2 2 4 3 2 4 1 2 2 3 3 2 1 1 2 3 3 3 4 4 2 4 3 3 4 4 4 10 5 5 6 7 4 5 6 4 4 5 3 6 3 3 1 3 2 4 7 14 15 13 2 1 4 7 2 1 1 6 4 3 3 6 14 15 10 7 4 1 3 2 1 1 1 1 2 1 1 2 3 3 6 23 19 4 7 5 1 2 1 1 2 1 2 13 30 14 9 10 7 7 4 2 0 1 1 1 1 1 1 1 1 2 3 3 5 6 10 5 8 2 1 2 2 2 3 2 2 1 1 1 1 4 16 2 2 1 1 5 4 15 3 2 12 58 9 1 5 4 4 8 13 2 1 0 0 1 2 1 8 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 1 0 1 1 1 2 6 20 9 6 9 14 13 3 4 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 16 26 12 14 100 16 2 1 2 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 81 81 s 1H | 75 75 d 1H J 22 | 72 72 dd 1H J 21 87 | 69 69 d 1H J 87 | 68 67 d 1H J 88 | 67 66 ddtd 2H J 9 17 26 43 | 42 41 t 2H J 62 | 39 38 d 7H J 22 | 29 29 s 3H | 29 28 t 2H J 63 | 28 28 ddq 2H J 9 55 72 | 28 27 m 2H | 23 23 s 3H | 22 22 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1csc(NC(=O)c2nc(C)ccc2Nc2cccnc2)n1 | ir: 1 1 2 3 2 2 1 1 2 4 2 1 1 1 3 2 2 1 1 1 2 6 2 1 1 2 5 3 6 3 3 17 18 18 14 36 16 18 11 4 9 3 9 3 3 3 5 4 17 8 2 1 3 5 37 19 4 3 7 0 3 3 3 19 7 5 2 2 2 2 6 2 2 3 3 2 3 6 4 2 1 1 1 1 1 1 1 1 2 2 2 4 2 5 2 2 2 1 1 1 1 2 2 1 2 2 1 1 3 2 2 8 8 6 2 1 2 2 1 2 2 2 6 6 11 8 2 2 2 2 2 2 2 2 3 4 63 4 5 53 5 6 3 1 1 3 5 75 20 2 3 4 13 7 14 11 2 3 2 5 2 2 2 2 8 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 4 2 2 2 2 2 3 16 16 6 2 2 2 2 2 2 1 2 1 1 2 1 2 2 1 3 4 3 5 5 3 14 38 100 14 7 2 3 6 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 1H | 82 82 m 2H | 76 76 d 1H J 77 | 74 73 dd 1H J 38 77 | 73 73 dq 1H J 9 77 | 72 72 dt 1H J 19 75 | 67 67 d 1H J 13 | 26 26 d 3H J 7 | 22 22 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)c1oc2c(Br)c(NC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 | ir: 7 6 5 2 7 6 1 2 1 4 5 3 1 7 3 2 1 1 4 3 3 2 5 4 3 2 4 5 7 4 12 11 17 25 27 19 18 11 17 53 44 32 8 10 8 5 8 50 4 2 2 2 3 3 24 36 22 17 4 1 1 2 2 1 2 3 7 4 20 0 9 3 2 1 2 2 3 4 4 2 2 1 1 2 2 3 4 11 6 7 2 2 1 1 3 2 2 8 4 1 1 1 1 4 3 4 3 1 0 4 11 43 14 5 3 5 5 3 1 3 8 6 8 5 2 3 4 20 2 2 2 1 3 4 47 19 13 3 1 6 34 4 19 12 6 10 12 43 27 11 9 23 18 4 2 4 2 34 2 1 5 9 29 4 1 0 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 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 2 1 1 0 1 2 1 2 2 2 4 4 4 5 15 17 21 55 100 21 13 3 4 3 2 1 2 2 1 1 2 1 1 1 2 2 2 2 3 3 11 55 75 14 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 0 1 1 1 1 1 0 0 1 1 0 1 1 0 0; 1HNMR: 80 79 d 1H J 88 | 77 76 m 2H | 76 75 dt 3H J 14 91 | 74 73 d 4H J 41 | 73 73 ddd 1H J 37 50 83 | 71 71 s 1H | 52 51 s 2H | 31 30 hept 1H J 71 | 11 11 d 6H J 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Oc1ccc(Cl)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F | ir: 47 15 17 4 2 4 6 6 1 4 13 12 6 21 2 3 5 27 13 1 12 7 5 9 3 3 3 9 2 4 3 4 6 6 3 3 1 2 1 2 3 2 2 4 10 5 45 33 13 1 5 3 17 23 31 3 4 2 4 2 1 1 2 2 1 4 3 35 12 31 4 5 0 10 6 2 1 6 4 4 5 4 1 2 3 6 14 9 81 3 4 3 2 3 6 3 1 3 3 8 12 5 6 2 2 1 1 1 1 4 16 5 2 2 1 3 3 4 15 5 12 6 13 12 6 6 2 2 1 2 2 1 1 1 1 1 0 10 31 42 29 19 12 16 5 3 1 2 29 27 5 5 2 11 4 4 1 1 6 4 3 0 0 1 2 1 1 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 2 2 1 1 3 1 1 2 5 9 4 28 80 76 34 13 2 5 4 11 100 67 8 2 0 1 2 1 1 3 4 3 2 7 4 2 14 82 27 6 3 4 1 1 3 2 2 1 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 2 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; 1HNMR: 76 76 m 1H | 75 74 ddd 1H J 22 39 82 | 74 73 m 2H | 73 72 d 1H J 46 | 72 71 ddd 1H J 15 25 121 | 71 70 m 2H | 71 70 m 1H | 67 66 dd 1H J 49 87 | 63 63 td 1H J 48 65 | 47 47 ddd 2H J 9 36 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(CC(C)C)c1cc(Oc2cc(F)cc(F)c2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 | ir: 4 4 9 3 4 4 2 2 3 3 2 1 1 1 2 1 1 2 1 1 0 1 1 1 1 1 1 1 2 2 2 3 8 3 2 1 4 1 1 0 0 1 1 1 1 1 1 0 2 2 1 0 1 6 7 11 2 1 2 0 2 2 5 3 10 24 49 20 18 7 3 1 4 2 2 2 5 3 1 1 1 2 1 0 1 1 1 1 5 4 2 1 1 3 2 9 7 11 25 34 3 2 0 8 4 4 9 3 2 1 2 2 2 2 1 3 3 4 6 12 10 5 3 3 9 4 2 4 4 3 2 6 3 2 0 1 2 1 1 3 7 9 2 5 12 2 1 2 6 1 1 1 2 2 1 2 1 1 5 15 18 4 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 2 0 1 1 2 1 1 2 1 1 2 3 4 5 8 9 48 100 12 10 7 9 3 3 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1; 1HNMR: 80 79 dq 1H J 13 25 | 76 75 d 1H J 76 | 75 75 dd 1H J 21 76 | 74 73 dt 1H J 12 25 | 72 71 t 1H J 22 | 68 67 dt 1H J 13 25 | 67 66 m 3H | 37 37 s 2H | 36 36 m 1H | 20 19 m 1H | 18 17 m 2H | 10 9 m 3H | 9 8 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(C)nc(NC(=O)N2CCOC(COc3ccccc3Cl)C2)c1 | ir: 2 1 1 1 2 1 2 1 2 2 8 4 3 6 3 4 3 3 2 5 4 3 3 1 2 2 1 1 2 1 2 2 3 2 8 7 9 7 4 19 43 33 42 34 16 7 4 2 4 4 2 1 1 2 2 1 2 4 2 1 7 6 11 8 6 12 11 9 13 13 10 14 17 25 12 4 3 3 1 2 7 2 2 3 2 2 1 1 2 2 0 1 4 6 7 9 4 2 2 1 2 5 5 4 2 2 2 2 5 5 2 3 2 1 2 1 1 1 1 2 2 1 2 4 4 5 3 5 21 17 5 6 3 2 3 3 7 6 3 5 3 4 3 2 1 3 6 12 20 100 85 32 73 7 16 44 37 3 2 8 9 49 11 6 2 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 5 4 2 2 3 3 5 4 2 8 14 27 30 32 11 5 3 2 3 2 1 1 0 1 1 1 3 3 2 1 1 3 4 4 4 3 5 26 23 8 7 2 2 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 73 72 m 2H | 72 71 d 1H J 22 | 70 69 m 2H | 66 66 m 1H | 43 42 m 2H | 41 41 dd 1H J 44 117 | 40 39 ddd 1H J 39 59 106 | 39 38 m 2H | 37 36 m 3H | 24 24 s 2H | 23 23 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)COc1ccc(CC(NS(=O)(=O)c2ccccc2)c2cccnc2)cc1 | ir: 1 2 10 6 2 3 2 2 5 3 9 5 8 6 9 3 4 2 2 1 1 0 0 3 5 2 1 2 3 5 11 4 1 2 16 5 5 0 1 8 9 4 4 2 2 3 4 6 4 2 2 1 1 5 6 17 7 4 8 9 4 1 3 6 7 29 18 2 13 24 14 5 4 3 3 4 3 4 2 3 1 1 1 1 11 13 33 6 1 0 1 1 2 1 1 3 2 6 8 8 3 3 3 2 8 21 24 40 11 2 7 4 4 5 1 3 1 2 4 5 20 6 8 3 2 2 2 2 5 2 3 2 1 2 2 5 1 1 1 4 3 1 11 14 9 7 5 3 9 5 3 3 3 8 2 1 1 4 9 11 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 1 2 1 1 2 3 6 5 5 18 41 16 6 1 3 1 2 2 1 1 1 0 0 0 1 0 0 1 2 1 5 70 100 15 3 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 td 1H J 8 19 | 85 85 dt 1H J 17 48 | 80 79 tt 1H J 13 74 | 78 77 dq 2H J 16 88 | 77 77 m 1H | 75 74 m 2H | 74 73 dd 1H J 48 79 | 71 70 dq 2H J 9 84 | 69 68 m 2H | 60 60 d 1H J 108 | 47 46 m 3H | 43 42 q 2H J 66 | 32 31 ddt 1H J 9 78 135 | 30 29 ddt 1H J 9 78 135 | 13 12 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(c1cccc(Cn2c(=O)[nH]c(=O)c3ccccc32)c1F)N1CCN(C(=O)C2CCCC2)CC1 | ir: 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 3 1 1 1 1 1 1 2 2 1 4 3 2 1 4 3 2 1 1 2 4 11 2 3 2 3 11 5 2 1 5 4 1 0 5 100 3 4 2 0 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 3 2 1 1 1 1 1 1 1 3 1 1 1 1 2 2 1 1 1 1 2 2 2 2 2 7 2 2 2 1 2 5 1 3 2 3 5 3 3 2 1 4 2 1 2 1 4 4 1 2 2 2 3 2 2 4 1 1 2 6 2 12 2 2 7 3 7 1 1 1 1 1 8 1 4 3 3 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 2 3 5 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 22 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 dd 1H J 16 84 | 79 78 ddd 1H J 12 40 93 | 76 75 m 2H | 74 73 dd 1H J 14 75 | 73 72 td 1H J 14 82 | 72 71 t 1H J 93 | 54 53 dd 2H J 9 37 | 38 37 m 4H | 36 36 m 4H | 32 32 p 1H J 52 | 19 18 m 2H | 18 17 m 2H | 17 16 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc2oc(-c3ccc(CCl)cc3)nc2c1 | ir: 1 1 2 3 9 2 2 2 1 3 0 2 2 1 3 49 4 7 27 11 59 3 2 1 2 7 2 2 1 2 1 1 6 4 1 3 2 1 1 2 5 4 2 4 6 8 7 2 3 2 2 1 3 41 5 6 16 1 1 1 2 2 7 2 2 2 2 13 5 12 5 22 8 2 4 2 14 3 1 1 1 1 1 1 1 1 16 3 7 5 9 15 1 2 1 1 1 2 21 8 1 2 1 1 1 1 3 16 3 4 2 2 2 1 1 1 2 4 3 11 7 3 2 7 3 10 16 43 2 4 19 2 1 2 2 1 6 8 36 21 3 2 9 26 5 2 2 1 2 8 32 5 2 4 2 1 1 2 1 1 1 1 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 2 2 7 2 2 2 2 2 2 7 9 10 0 26 100 27 6 8 2 3 3 4 1 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 75 74 m 2H | 74 74 dt 2H J 9 83 | 72 72 m 1H | 46 46 t 2H J 9 | 24 24 d 3H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(OC)c2[nH]c(-c3ccccc3)nc12 | ir: 5 4 4 6 4 4 4 3 5 3 3 10 8 3 3 5 4 5 4 18 10 6 5 15 52 57 90 57 17 22 57 78 10 9 9 9 8 9 13 9 13 40 26 13 5 5 4 4 4 18 14 4 9 20 25 26 8 10 4 12 3 5 4 5 5 3 7 8 15 26 13 5 5 5 5 5 9 14 12 15 5 4 4 3 3 3 3 3 3 3 5 4 4 4 4 3 3 4 3 3 4 3 3 6 11 6 4 4 4 7 3 3 3 3 3 4 4 4 4 5 7 6 7 5 5 5 3 9 5 3 6 36 23 16 5 4 6 8 38 71 16 72 61 17 8 8 12 20 12 5 23 33 4 9 6 3 3 27 17 0 14 41 14 3 4 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 4 2 2 3 3 2 2 3 3 2 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 3 3 3 3 3 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 4 3 3 3 3 3 3 3 4 3 3 3 4 4 6 5 6 15 12 74 100 46 24 8 6 6 3 5 6 6 4 4 3 4 3 3 4 4 4 7 8 5 5 10 7 22 34 61 34 7 12 16 6 4 4 4 4 4 3 4 4 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 3 3 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 99 99 s 1H | 83 83 m 2H | 76 75 m 4H | 70 70 d 1H J 88 | 69 69 d 1H J 90 | 41 41 s 3H | 41 41 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)cc(OC)c1OC | ir: 3 3 3 3 2 2 4 2 4 1 2 2 2 3 2 4 3 3 3 3 4 4 3 4 5 4 2 3 3 2 3 6 2 1 2 1 1 2 1 1 1 2 1 2 2 3 3 6 8 3 2 2 2 39 4 3 2 2 1 1 2 1 1 3 2 2 3 5 7 7 3 1 3 2 2 2 2 2 2 3 2 4 3 2 1 1 1 1 3 2 1 1 2 2 4 2 6 2 1 1 1 2 2 3 6 2 2 1 1 2 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 2 1 1 1 1 1 1 2 2 2 1 2 3 15 1 1 2 1 17 1 2 3 8 7 7 8 5 11 11 100 17 7 4 1 64 0 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 8 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 2 8 4 2 4 10 2 13 7 30 11 6 4 20 70 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 s 1H | 85 85 d 1H J 26 | 80 80 d 1H J 139 | 74 74 ddd 1H J 11 22 81 | 72 72 t 1H J 78 | 71 71 t 1H J 22 | 71 70 s 2H | 65 64 ddd 1H J 12 22 75 | 39 38 s 3H | 38 38 s 6H | 37 37 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)CC(C)Nc1ccccc1N | ir: 9 7 21 21 11 18 3 6 3 10 9 13 7 16 8 21 8 7 8 7 4 2 2 2 5 3 3 2 3 1 1 1 2 1 0 1 1 1 1 1 1 18 8 30 4 3 2 4 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 1 3 1 4 7 5 3 3 1 1 1 2 1 0 1 1 1 3 4 1 1 1 1 1 1 1 1 2 1 2 3 5 1 1 2 2 2 2 2 3 3 7 5 7 2 2 3 3 5 2 5 4 9 5 1 3 2 3 1 3 2 2 3 2 8 15 2 7 4 1 1 1 3 7 5 7 5 15 6 4 13 17 42 10 43 3 4 9 8 8 2 2 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 5 10 8 2 12 6 6 3 2 1 2 1 1 1 1 1 0 1 2 1 2 4 12 4 21 4 6 20 16 14 17 25 7 13 56 100 28 4 2 1 1 1 1 1 1 1 1 1 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; 1HNMR: 70 70 ddd 1H J 15 71 79 | 68 67 m 2H | 67 67 dd 1H J 15 80 | 59 59 d 1H J 81 | 42 41 q 2H J 65 | 41 40 dh 1H J 62 80 | 39 38 s 2H | 28 27 dd 1H J 66 167 | 25 24 dd 1H J 66 167 | 13 12 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C(=O)C=C1OC(C)(C)OC1=O)C(c1ccc(F)cc1)c1cccnc1 | ir: 1 3 5 3 2 3 11 6 3 4 4 8 5 6 6 9 2 3 3 7 1 3 3 1 10 7 4 4 8 5 3 3 6 18 25 17 2 12 6 1 3 6 3 2 2 5 3 2 2 5 5 21 33 11 13 7 46 42 3 1 3 6 11 15 8 5 9 5 17 19 5 3 8 6 3 2 3 4 3 1 4 4 2 2 3 9 3 8 6 3 3 3 3 8 4 25 6 5 2 4 8 14 6 5 6 5 9 3 5 2 0 3 6 5 3 5 6 7 11 7 7 5 4 19 15 9 11 52 13 9 8 22 16 5 4 9 6 3 4 18 9 2 3 10 86 4 16 19 11 69 4 4 17 10 13 3 3 1 3 16 3 26 4 4 2 1 2 3 2 0 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 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 3 1 2 3 2 1 2 3 3 2 2 3 2 2 3 6 4 5 3 3 4 10 9 13 100 79 33 14 10 12 5 8 6 1 3 3 3 1 3 3 2 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 86 85 td 1H J 6 18 | 85 85 dt 1H J 18 48 | 77 76 m 1H | 74 73 m 3H | 71 71 m 2H | 60 60 s 1H | 58 58 tt 1H J 9 17 | 30 30 d 3H J 16 | 17 16 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1c2ccccc2OC1(Cl)Cl | ir: 0 9 16 7 0 9 16 7 0 30 26 7 1 10 15 6 1 11 16 9 7 95 81 11 6 12 12 5 5 13 12 26 32 12 17 17 31 35 19 4 10 24 100 87 15 18 10 1 8 18 11 9 62 18 10 4 8 15 8 4 11 14 8 2 9 14 7 5 17 25 7 3 10 13 9 6 14 20 7 6 27 20 11 8 13 13 9 17 33 33 5 5 12 10 4 5 13 10 3 6 13 9 2 6 13 9 2 7 15 19 19 8 14 8 1 8 14 8 2 44 77 8 2 9 14 6 2 9 13 8 4 11 13 10 11 34 59 47 60 12 12 5 5 12 12 3 25 38 13 13 36 29 10 6 12 16 11 2 37 32 11 5 7 13 9 2 7 13 8 2 7 14 7 2 8 13 7 2 8 13 7 3 9 12 6 3 9 12 6 3 9 11 5 4 10 11 5 4 10 11 5 5 11 10 4 5 11 10 4 5 12 9 3 6 12 9 3 6 12 8 2 7 13 8 2 7 13 8 2 8 13 7 2 8 13 7 2 8 12 6 3 9 12 6 3 9 11 6 4 10 11 5 4 10 11 5 5 10 10 4 5 11 10 4 5 11 9 4 6 12 9 4 7 12 9 3 7 13 9 4 8 14 11 8 13 17 39 57 63 27 11 8 11 12 7 4 9 11 7 5 9 11 7 5 9 10 6 5 9 10 6 5 10 10 5 5 10 10 5 6 10 9 4 6 11 9 4 6 11 9 4 7 11 8 4 7 12 8 3 7 12 8 3 8 12 7 3 8 12 7 4 8 11 7 4 9 11 6 4 9 11 6 5 9 10 6 5 9 10 5 5 10 10 5 6 10 9 5 6 10 9 5 6 11 9 4 6 11 8 4 7 11 8 4 7 11 8 3 7 12; 1HNMR: 79 78 dd 1H J 16 70 | 74 74 td 1H J 15 74 | 73 72 ddd 1H J 11 70 77 | 71 70 dd 1H J 12 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc([C@H](CC(=O)O)n2ccn(CCCc3ccc4c(n3)NCCC4)c2=O)cn1 | ir: 0 2 1 2 2 1 3 2 4 10 11 2 9 4 9 5 5 3 2 12 35 13 6 5 3 1 1 1 2 1 1 1 1 8 5 11 10 4 38 33 6 2 2 1 1 3 1 3 1 2 3 4 4 14 6 14 4 2 2 1 1 1 1 3 1 0 1 2 5 5 3 0 1 1 1 2 3 7 24 32 3 3 3 1 2 4 2 2 3 3 1 1 2 2 9 4 9 5 9 2 2 3 3 6 2 1 0 1 1 1 3 3 2 3 6 5 1 2 2 3 4 4 11 3 2 2 1 2 1 2 1 2 2 3 5 15 3 12 4 8 26 9 8 30 5 1 4 2 12 24 11 5 17 12 4 2 2 7 14 4 23 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 0 1 1 1 1 1 2 1 3 2 2 1 1 1 3 2 3 6 10 7 6 12 9 7 5 4 2 4 3 7 100 4 0 1 2 1 1 1 1 1 1 1 1 7 13 17 37 13 2 1 1 1 1 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 82 81 dd 1H J 7 19 | 76 76 m 1H | 71 70 dt 1H J 10 78 | 70 69 m 2H | 68 67 d 1H J 83 | 66 65 dt 1H J 9 79 | 53 52 m 1H | 46 46 t 1H J 38 | 40 39 s 2H | 39 38 td 2H J 9 72 | 34 34 m 2H | 31 30 dd 1H J 93 161 | 29 28 m 3H | 27 27 td 2H J 8 75 | 20 19 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(C2=CC(C)(C)Sc3cc(F)c(C#Cc4ccc(C(=O)O)cc4)cc32)s1 | ir: 3 3 4 2 2 2 4 4 3 2 2 11 7 13 7 6 4 4 5 15 35 70 100 23 8 3 3 5 4 5 2 2 2 2 2 2 1 2 1 2 2 1 1 2 1 3 2 1 6 2 5 4 4 2 2 2 4 12 20 10 5 2 6 3 17 9 22 16 3 7 20 5 6 4 12 8 5 18 28 26 5 0 3 6 2 1 4 5 5 3 5 9 4 1 2 2 1 1 1 1 1 1 1 1 0 1 2 3 1 4 2 2 5 8 6 30 4 5 5 8 7 2 2 1 1 11 5 2 5 5 2 2 2 2 1 1 1 1 1 1 4 8 17 19 5 5 8 2 19 11 18 9 22 7 2 1 1 2 1 1 2 5 3 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 2 2 1 0 1 2 2 1 1 3 2 1 3 4 8 12 40 53 60 28 32 5 2 4 3 1 4 13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 77 76 m 2H | 76 76 d 1H J 47 | 72 71 d 1H J 66 | 71 70 d 1H J 122 | 68 67 dq 1H J 8 65 | 64 63 hept 1H J 10 | 25 25 d 3H J 7 | 16 15 d 5H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccnn1-c1ccc(Cl)c(C(N)=O)c1 | ir: 2 4 4 5 5 5 7 10 9 9 3 5 8 6 8 10 5 7 10 19 22 41 15 20 14 15 7 9 5 6 5 10 13 11 8 6 5 5 5 13 66 43 57 23 7 7 6 3 3 4 3 8 10 15 21 23 3 5 2 0 2 4 2 1 3 4 4 11 13 9 13 4 3 3 8 2 6 3 2 4 6 6 5 4 8 9 11 6 4 3 4 3 11 8 2 2 3 3 3 8 9 7 2 2 3 6 5 9 5 4 5 4 4 2 2 3 4 2 2 4 5 6 9 13 7 12 18 4 4 4 3 10 22 18 4 10 8 4 2 3 3 2 2 2 3 2 9 20 21 8 17 20 12 12 12 16 5 4 35 8 4 3 5 3 3 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 4 3 5 2 4 5 4 10 29 23 58 30 17 8 3 4 2 2 3 3 3 3 2 2 3 3 4 18 3 3 2 3 2 2 2 2 4 4 7 97 62 100 8 4 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 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 83 83 d 1H J 16 | 76 75 m 3H | 72 72 s 2H | 62 62 dq 1H J 8 35 | 24 23 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)NCC=CC1=CNC(N)N1 | ir: 7 6 4 12 11 9 14 7 5 4 3 5 6 8 6 4 12 6 10 12 3 4 5 5 5 5 15 16 13 17 7 4 3 6 3 5 4 2 2 1 2 2 1 1 1 2 1 1 1 0 2 2 2 2 2 2 3 1 2 4 4 2 6 58 15 6 3 2 10 9 7 6 4 6 11 11 9 17 11 39 20 36 16 16 7 4 4 2 2 1 1 2 1 1 1 1 1 1 1 2 2 2 2 9 6 10 2 4 3 2 6 13 9 9 7 6 4 13 24 10 9 10 9 29 23 23 42 8 26 9 18 9 17 8 12 12 8 16 36 28 10 5 13 47 86 34 7 5 11 12 26 5 9 2 4 1 1 0 1 1 1 2 2 4 1 2 9 3 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 1 1 1 0 0 0 1 0 0 0 1 1 1 0 1 1 1 1 2 1 1 1 2 3 2 2 2 3 12 13 9 19 3 4 3 1 1 5 11 3 7 3 1 2 3 4 5 11 24 36 66 41 21 45 74 100 96 87 18 38 10 3 4 2 2 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 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; 1HNMR: 65 64 dt 1H J 15 50 | 64 63 dq 1H J 13 148 | 62 62 t 1H J 58 | 61 60 dt 1H J 36 148 | 53 52 dd 1H J 33 51 | 51 50 dddd 1H J 18 28 35 62 | 40 40 ddd 2H J 13 35 58 | 38 37 d 1H J 37 | 37 37 s 2H | 29 29 d 2H J 27 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NCC(c1ccc(F)nc1)N1CCC(F)(F)CC1 | ir: 4 3 0 16 5 1 2 5 2 1 1 2 7 9 3 1 1 2 3 1 1 2 1 2 3 6 9 1 1 2 1 2 3 4 8 15 5 3 2 2 1 3 2 3 2 3 5 6 5 11 15 17 18 100 21 3 3 8 9 7 5 7 3 2 2 9 7 2 4 9 5 7 14 83 15 6 4 5 1 3 8 16 4 9 2 3 11 3 11 9 4 9 1 2 6 5 6 3 10 8 5 2 1 2 1 2 2 14 22 3 4 3 3 2 5 8 13 4 4 2 5 4 8 10 18 3 8 15 15 3 8 6 49 84 39 5 12 8 4 2 1 2 1 1 1 2 3 2 4 6 3 1 3 2 2 1 2 2 3 2 49 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 4 4 2 3 1 3 2 2 10 2 11 9 10 9 2 0 3 2 2 2 1 2 3 5 8 14 23 16 4 3 4 1 10 47 32 9 2 0 2 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 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; 1HNMR: 83 83 ddd 1H J 6 19 29 | 77 77 m 1H | 71 70 dd 1H J 81 101 | 40 39 m 1H | 33 32 dtd 1H J 51 70 113 | 31 29 m 3H | 28 27 m 2H | 22 21 tt 4H J 63 142 | 19 18 t 2H J 69 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)c(Br)c1)OCC | ir: 4 3 2 2 2 2 4 5 2 1 1 3 4 7 15 5 2 4 10 4 2 14 17 8 7 3 3 1 2 2 1 2 3 9 6 7 7 2 8 6 9 2 2 2 1 1 4 3 2 3 2 1 3 6 14 23 100 16 13 22 6 4 1 1 2 2 3 5 10 9 4 4 3 10 9 5 5 17 4 6 57 34 9 1 1 0 1 6 0 0 2 1 2 7 6 10 2 7 34 53 17 5 0 1 1 1 1 1 1 2 2 1 3 3 7 4 9 6 7 6 2 1 1 1 5 3 4 1 5 6 4 3 1 4 10 3 2 1 1 1 1 1 3 5 14 35 12 4 2 5 15 45 29 45 32 2 2 5 28 2 2 1 7 1 1 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 3 1 1 1 2 2 4 2 3 2 1 2 5 24 11 7 17 28 5 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 2 1 0 0 4 29 23 15 15 33 10 2 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; 1HNMR: 87 87 q 1H J 24 | 84 84 s 1H | 78 78 dt 1H J 9 20 | 74 73 ddd 1H J 10 21 75 | 72 72 d 1H J 75 | 43 42 dq 4H J 72 84 | 38 37 dt 2H J 9 119 | 14 13 td 6H J 7 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(CC(=O)O)OCCc2nc(-c3ccc(Cl)cc3)sc21 | ir: 3 4 3 4 5 4 5 4 4 4 6 13 8 5 11 11 6 6 6 7 8 15 24 12 5 7 6 5 4 5 4 4 5 5 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 3 3 4 6 11 6 8 4 3 3 3 3 4 3 4 4 3 4 3 8 4 3 3 3 4 4 5 5 15 17 6 4 4 4 3 3 5 4 4 4 3 4 3 3 3 3 3 4 8 4 5 4 4 4 4 5 3 3 3 3 6 5 3 5 3 3 4 6 4 4 8 4 4 5 5 10 3 5 5 6 7 11 6 4 4 4 4 5 16 5 5 4 4 17 38 9 5 4 4 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 3 4 3 3 3 3 3 3 4 4 13 13 11 26 8 4 4 3 4 6 4 0 79 100 5 5 4 3 4 4 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 3 3 3 3 3 3 3 3 3 3 3 3 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 m 2H | 76 75 m 2H | 41 40 ddd 1H J 31 50 126 | 39 39 ddd 1H J 31 50 126 | 37 36 d 1H J 174 | 34 34 d 1H J 176 | 29 28 m 2H | 18 18 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C=Cc1ccc(C#N)cc1OCCNC(=O)C1CCN(c2ccncc2)CC1 | ir: 3 4 11 8 4 6 16 6 6 4 8 8 9 6 8 8 7 5 4 2 3 4 8 13 6 9 7 4 3 5 8 20 40 26 27 9 26 37 13 8 3 5 3 5 7 6 4 6 4 4 3 2 3 5 6 5 6 6 3 1 4 7 3 4 28 11 7 4 8 20 21 7 14 18 11 20 7 3 4 5 8 18 30 14 24 4 4 9 9 5 5 5 4 4 2 5 3 6 11 10 5 4 2 5 9 6 5 5 5 8 7 30 35 7 8 7 7 5 4 6 17 10 8 25 18 18 22 7 9 6 2 4 4 4 3 5 5 4 4 5 4 6 6 12 40 100 72 56 60 41 13 12 4 8 11 3 2 4 5 4 13 65 25 16 4 0 7 10 3 0 2 4 2 1 2 3 2 0 2 3 1 0 9 2 1 1 2 3 1 1 2 2 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 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 2 2 2 1 2 3 2 1 2 4 3 2 4 4 6 4 6 3 3 5 6 8 15 26 27 26 38 62 23 28 7 3 4 4 2 1 2 3 2 1 3 3 2 2 4 3 3 6 8 22 48 37 25 20 6 4 5 4 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 1 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 82 82 m 2H | 78 77 d 1H J 164 | 77 76 d 1H J 84 | 75 75 dd 1H J 22 84 | 73 73 d 1H J 21 | 71 70 t 1H J 52 | 65 64 m 2H | 64 63 d 1H J 165 | 43 41 m 4H | 36 35 m 1H | 35 35 m 3H | 33 33 ddd 2H J 60 87 126 | 25 24 p 1H J 54 | 22 21 ddt 2H J 56 86 132 | 19 18 m 2H | 13 12 t 3H J 61 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)COc1ccc2cc(C(=O)O)ccc2c1CNCc1ccc(OC(F)(F)F)cc1 | ir: 1 1 1 1 4 2 3 3 2 1 2 1 2 3 3 2 4 6 7 6 13 21 100 11 12 3 3 0 1 3 1 0 1 2 1 1 0 1 1 1 0 1 1 0 1 3 3 2 2 2 3 3 2 4 14 5 8 8 3 2 3 4 2 2 2 4 4 2 1 10 2 1 2 3 5 2 3 6 8 13 3 4 2 1 1 1 1 2 4 1 1 0 1 2 4 28 8 3 10 16 6 24 6 2 1 0 2 2 3 2 4 3 8 6 5 3 3 3 0 1 1 2 1 2 1 2 2 5 4 9 4 2 1 1 2 7 7 1 1 1 1 5 3 40 3 4 5 3 11 1 2 1 4 1 1 7 2 18 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 1 1 1 3 1 17 26 16 5 3 2 1 1 1 1 3 7 1 0 1 1 1 1 2 5 5 33 26 3 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 t 1H J 18 | 80 80 d 1H J 86 | 80 79 dd 1H J 14 86 | 79 78 dd 1H J 22 84 | 73 72 dt 2H J 9 82 | 72 71 m 2H | 71 70 d 1H J 84 | 47 47 s 2H | 43 43 d 2H J 58 | 42 41 p 1H J 56 | 40 40 dt 2H J 8 54 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1 | ir: 2 2 7 3 4 8 10 11 6 6 5 2 4 2 9 2 3 2 3 17 3 3 2 2 3 2 6 2 1 2 2 7 2 2 9 5 2 3 2 15 5 3 15 2 3 2 2 2 3 24 4 2 11 8 26 4 2 2 2 4 2 3 6 5 2 4 27 9 9 4 2 3 2 4 2 2 2 3 3 12 25 1 4 2 2 3 8 4 8 9 16 3 6 3 2 5 1 2 2 2 2 3 13 5 100 18 3 6 21 3 2 2 1 2 3 90 4 4 4 2 3 4 3 3 2 4 5 5 6 16 3 3 14 11 4 5 3 1 2 3 8 6 3 7 4 1 1 4 2 0 66 1 4 24 25 8 3 3 30 1 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 3 2 3 2 2 4 13 4 4 3 2 2 2 3 13 33 13 16 27 28 4 4 3 4 3 2 2 2 2 1 1 1 2 2 1 1 2 1 1 2 2 2 5 26 69 21 30 3 1 1 2 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 s 1H | 75 75 d 1H J 78 | 71 71 d 1H J 22 | 70 69 dd 1H J 22 77 | 48 47 s 2H | 38 38 s 3H | 38 37 s 3H | 22 22 d 3H J 7 | 22 21 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(-c2c(C(C)(OC(C)(C)C)C(=O)O)n(C)c(=O)c3cc(Br)ccc23)c(C)c1 | ir: 4 5 3 5 2 4 3 4 6 9 13 4 10 12 10 13 12 6 15 9 43 56 34 53 8 15 10 8 7 7 10 13 9 3 2 3 2 5 3 3 2 2 2 5 11 15 3 2 10 5 3 1 2 5 7 11 5 4 3 2 2 4 3 3 2 2 3 11 7 3 3 4 28 7 3 3 9 23 45 10 7 6 6 14 11 11 13 36 6 5 3 7 6 6 3 12 3 4 4 4 4 4 2 2 2 6 4 3 2 4 2 2 2 9 2 5 3 5 6 12 14 16 8 5 7 7 14 8 4 7 7 8 5 11 17 4 7 5 3 9 7 5 6 21 40 18 7 4 7 17 78 5 4 17 2 2 2 21 11 5 2 0 2 9 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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 4 4 3 3 2 1 1 2 2 2 3 5 6 30 22 12 13 43 18 7 3 2 4 4 3 2 10 100 6 2 2 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 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; 1HNMR: 81 81 d 1H J 22 | 77 76 m 2H | 74 73 d 1H J 83 | 70 70 m 1H | 70 70 t 1H J 16 | 36 36 s 3H | 24 24 s 3H | 23 23 d 3H J 8 | 14 14 s 3H | 13 13 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(C)c3)ccc12 | ir: 4 4 2 6 3 3 2 2 1 2 4 7 4 1 1 1 1 1 2 2 1 3 11 4 2 1 2 1 1 2 5 3 1 1 1 1 1 2 2 1 1 0 1 4 2 6 4 29 3 1 1 1 2 5 24 32 19 0 1 2 1 0 1 2 1 2 11 12 3 3 2 2 2 4 3 3 5 2 1 2 1 1 1 6 3 1 3 1 1 1 3 3 2 6 4 2 2 7 1 12 0 1 1 14 11 3 5 1 0 1 1 1 1 2 4 3 2 4 3 6 2 7 2 1 1 1 1 1 3 2 3 10 5 1 0 1 2 24 4 41 15 2 2 2 3 2 1 2 6 13 19 8 6 7 1 1 4 8 0 2 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 4 2 7 12 100 25 4 6 3 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 81 | 77 77 d 1H J 22 | 76 76 m 3H | 75 75 dd 1H J 21 87 | 75 74 ddd 1H J 14 22 76 | 74 74 m 2H | 72 72 m 1H | 44 43 q 2H J 64 | 20 19 d 3H J 7 | 14 14 t 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NCC1(CNC(=O)C(N)Cc2ccccc2)CCC1 | ir: 1 3 4 2 0 1 1 3 2 2 2 2 1 1 3 2 1 2 2 1 1 1 4 1 1 3 4 1 4 6 5 4 3 5 6 5 12 10 8 28 39 12 6 7 5 11 11 11 12 5 5 2 4 2 4 6 8 11 8 12 19 10 2 1 2 6 11 21 4 15 11 16 36 21 3 4 4 6 10 37 39 18 5 6 7 4 4 9 6 7 1 1 2 2 0 1 3 3 1 2 1 2 1 2 3 1 2 2 3 2 1 1 2 1 1 3 2 2 1 6 12 5 1 5 6 4 9 12 17 9 18 22 41 42 27 13 9 5 1 2 3 2 11 26 13 19 5 15 10 2 2 2 2 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 3 2 3 2 1 3 2 1 3 5 7 11 8 6 2 1 2 2 1 1 2 4 3 5 20 42 29 13 8 8 4 6 8 19 100 27 35 21 6 2 3 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 73 72 m 2H | 73 72 m 3H | 66 65 t 1H J 51 | 46 45 d 2H J 62 | 39 38 p 1H J 61 | 33 33 d 2H J 51 | 31 30 ddt 1H J 9 60 154 | 28 28 m 3H | 18 17 m 2H | 16 15 m 4H | 13 12 t 2H J 55 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CCc1cnn(C2CC2)c1C(F)(F)F | ir: 3 5 7 7 1 3 6 5 7 10 8 6 10 7 5 3 1 3 6 3 3 3 4 3 1 5 5 2 2 3 3 1 1 4 3 2 4 14 10 5 7 14 3 1 2 4 3 2 3 4 3 0 2 6 3 0 3 7 4 1 6 10 4 2 4 5 2 0 3 4 2 0 3 3 1 1 3 3 1 1 3 4 2 2 22 20 4 3 7 7 1 2 5 3 1 3 12 50 100 67 21 8 1 2 4 5 6 18 26 8 1 2 4 2 1 3 5 2 0 3 4 2 1 12 15 4 2 4 4 1 0 3 4 1 1 3 5 12 8 5 3 1 1 3 3 3 5 5 7 12 7 9 6 4 2 4 3 0 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 4 5 5 0 2 4 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 4 4 2 2 4 3 1 4 6 4 9 13 7 5 2 5 7 14 7 5 4 2 1 2 3 2 1 3 4 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 76 75 d 1H J 10 | 44 44 p 1H J 32 | 40 39 d 2H J 11 | 17 16 m 2H | 14 13 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)c1cnc(-n2cc(C(F)(F)F)cn2)c(C)c1 | ir: 9 2 1 2 2 1 1 1 4 1 1 1 1 2 2 8 14 17 9 9 2 2 2 1 2 1 1 3 19 1 1 1 1 2 3 1 1 1 1 3 10 43 21 3 3 2 6 1 1 1 2 0 1 1 1 2 4 2 1 1 2 24 9 23 35 5 5 5 4 13 7 7 2 1 1 1 1 1 1 3 2 1 1 1 1 1 2 11 31 2 1 1 0 1 2 1 0 2 16 100 8 4 7 2 1 2 1 2 16 3 9 7 3 24 11 4 4 4 5 3 5 4 3 10 69 38 9 4 4 14 22 3 3 1 1 2 2 2 1 5 27 9 2 27 19 5 18 3 1 1 1 17 5 1 3 10 10 3 1 2 1 1 7 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 2 2 3 5 11 7 4 17 11 4 3 10 10 2 2 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 d 1H J 18 | 86 86 d 1H J 22 | 80 80 q 1H J 14 | 75 75 p 1H J 9 | 27 26 s 3H | 24 24 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)c1ccc(N)c2c1OCCO2 | ir: 1 2 3 3 4 7 3 5 3 4 3 5 5 3 3 2 2 2 6 5 2 2 1 1 1 4 3 2 3 4 2 2 2 1 1 2 1 1 1 1 1 1 3 4 3 1 2 2 1 0 1 2 2 9 28 17 4 1 4 2 1 1 2 3 1 1 1 1 3 4 3 3 1 1 1 1 1 1 3 6 1 1 1 2 10 8 1 1 1 1 4 3 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 1 1 2 1 3 4 13 1 1 1 2 1 2 1 1 2 3 9 4 2 1 1 2 2 1 1 1 1 2 1 1 11 2 1 1 1 1 6 6 2 1 1 1 1 2 2 14 35 25 6 2 1 1 2 18 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 2 2 2 4 2 2 14 7 4 1 1 1 2 1 1 1 1 1 0 1 1 0 0 4 41 36 3 0 0 1 2 1 1 2 2 2 93 100 4 2 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 d 1H J 84 | 65 64 d 1H J 84 | 44 43 m 4H | 39 39 s 2H | 26 26 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)Oc1cc2c(cc1Cl)OC(C)(COc1ccc(N)cc1)CC2=O | ir: 13 20 20 4 7 10 3 3 5 7 4 2 4 4 8 5 2 5 6 3 3 5 2 4 4 3 7 13 4 4 2 4 2 3 3 2 3 2 7 5 2 2 2 3 3 5 3 9 1 1 2 2 6 10 9 26 21 12 3 3 2 1 2 3 1 3 13 23 9 42 3 2 2 1 2 1 2 3 8 10 11 2 1 1 2 1 1 4 3 5 17 3 3 12 8 3 2 1 1 1 1 4 2 3 3 5 18 3 4 1 1 1 1 1 2 2 3 3 5 4 2 3 7 6 15 3 2 3 4 14 13 3 2 1 1 2 21 1 1 2 1 4 7 4 10 12 4 9 2 2 3 5 35 10 12 5 51 35 3 1 1 3 4 64 2 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 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 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 1 1 4 4 3 2 2 2 3 2 4 10 22 5 14 56 29 5 4 2 1 1 1 1 1 1 1 0 1 1 0 0 1 4 13 5 1 1 0 0 1 2 0 2 41 77 100 22 2 2 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 4 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 75 75 s 1H | 71 71 s 1H | 68 67 m 2H | 65 64 m 2H | 45 44 d 1H J 124 | 42 42 d 1H J 125 | 37 37 s 2H | 33 32 d 1H J 176 | 31 30 d 1H J 174 | 24 23 s 3H | 15 15 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Fc1cc(Br)c2[nH]ccc2c1OCc1ccccc1 | ir: 1 7 1 2 0 0 1 0 0 2 1 0 0 0 2 5 0 1 1 1 1 16 4 3 0 100 5 3 2 2 1 1 1 1 1 0 2 2 4 9 23 4 2 2 2 0 1 1 1 1 0 0 0 0 0 1 0 0 0 1 0 0 1 2 2 1 1 3 9 1 1 2 1 1 1 1 0 1 1 2 1 2 1 0 0 0 1 1 0 10 1 2 4 1 0 1 1 9 3 15 2 1 1 2 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 2 1 1 1 1 2 2 4 16 2 0 0 0 1 1 8 1 1 3 2 3 2 3 7 5 2 10 2 1 0 1 3 20 2 2 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 4 2 1 20 45 12 18 5 6 2 1 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 1 1 2 12 22 4 6 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 d 1H J 66 | 74 73 m 4H | 74 73 m 1H | 72 71 d 1H J 121 | 71 71 dd 1H J 37 64 | 69 69 d 1H J 37 | 51 51 t 2H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NC[C@@H]1C[C@H](n2cc(-c3cccc(OCC45CCC(CC4)O5)c3)c3c(N)ncnc32)C1 | ir: 10 1 3 5 4 6 6 8 1 4 6 3 4 3 2 2 3 4 2 2 2 4 4 3 4 4 3 1 2 5 2 2 2 2 4 2 2 7 11 40 46 5 5 11 12 12 5 12 6 7 4 12 3 1 2 3 2 3 9 1 3 4 3 0 10 10 13 10 11 22 39 19 7 10 2 5 2 2 2 5 6 4 2 3 2 1 4 1 4 2 3 2 3 3 3 1 7 4 8 4 1 4 2 1 2 3 4 4 9 3 2 1 2 1 3 2 9 2 3 2 1 3 3 13 9 3 3 2 2 4 5 6 3 12 19 9 4 4 4 3 6 3 2 1 0 4 6 6 19 3 3 15 22 18 44 4 9 18 18 4 1 0 1 1 1 0 0 2 1 0 1 1 1 0 1 1 1 0 1 1 0 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 3 1 1 3 2 4 11 7 13 11 11 4 7 3 2 2 1 0 1 2 1 3 6 11 8 12 8 51 13 2 5 23 23 3 1 2 1 1 5 8 100 8 0 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 s 1H | 74 73 m 2H | 72 72 t 1H J 22 | 71 71 d 1H J 7 | 69 68 ddd 1H J 15 22 75 | 68 67 s 2H | 45 44 m 1H | 44 44 p 1H J 33 | 42 41 s 2H | 29 28 dddd 1H J 34 65 90 106 | 27 26 dqt 1H J 16 41 110 | 22 21 m 3H | 20 19 m 6H | 18 16 m 4H | 13 13 t 2H J 54 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cnc(Nc2ccc(OCc3ccccc3)cc2)c(N)c1 | ir: 3 3 1 3 1 5 6 5 14 8 12 10 7 4 4 4 9 9 11 17 32 12 8 15 10 7 6 5 2 5 2 3 6 2 5 7 7 20 16 10 13 14 5 10 21 5 3 2 2 1 3 8 4 2 9 10 12 2 4 3 2 4 2 2 2 2 11 4 4 13 2 2 2 3 4 1 2 4 5 7 2 2 1 1 1 1 3 2 5 3 3 8 4 28 6 3 1 1 3 1 2 4 9 3 1 11 9 1 1 1 4 1 0 1 1 1 0 1 2 2 2 4 3 6 8 4 2 3 2 2 1 1 1 5 6 8 7 5 1 1 2 1 6 16 11 7 3 17 44 22 17 50 32 31 13 7 4 29 6 3 1 29 4 7 3 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 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 0 0 1 1 0 0 0 1 1 0 1 0 1 1 1 2 1 1 1 2 2 1 3 2 2 2 2 3 4 9 40 84 33 10 9 4 2 4 3 1 1 1 1 0 1 1 1 1 3 14 100 26 7 3 11 23 41 28 21 5 9 7 66 16 4 2 1 1 1 1 1 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 74 74 m 2H | 74 73 m 7H | 70 70 d 1H J 21 | 69 69 m 2H | 51 50 t 2H J 9 | 40 40 s 2H | 23 23 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1nc2c(o1)CN(CC(=O)N1CCN(C3CCC3)CC1)CC2 | ir: 13 14 11 23 28 7 5 12 15 14 12 8 8 6 6 6 9 8 7 17 13 8 15 16 6 3 5 13 22 9 14 14 11 19 10 12 18 12 10 6 9 4 2 5 4 2 11 15 11 2 10 8 19 6 15 13 7 1 9 7 7 2 3 8 13 1 4 6 1 1 2 3 5 12 4 4 6 13 7 6 5 28 100 18 27 18 66 11 11 12 5 3 7 3 7 16 36 28 20 21 9 12 12 8 2 3 6 24 19 36 29 22 10 5 11 9 16 16 9 7 10 8 6 13 8 5 3 4 7 32 37 96 9 6 9 2 1 4 6 8 12 20 7 4 21 4 37 84 7 7 3 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 0 1 2 1 0 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 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 4 5 13 9 17 9 3 5 6 5 11 29 4 9 6 3 1 2 3 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 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; 1HNMR: 40 40 s 2H | 35 35 m 4H | 34 33 s 2H | 31 30 m 2H | 29 28 m 1H | 28 27 m 6H | 27 26 s 2H | 18 17 m 4H | 16 15 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1cc(C(F)(F)F)ccc1OCc1ccccc1 | ir: 3 3 1 2 3 2 2 4 8 2 3 3 5 10 2 3 8 11 12 12 39 38 16 12 8 4 5 7 4 4 4 23 9 4 3 2 8 7 11 5 38 1 1 3 3 1 1 2 1 1 1 2 1 2 11 12 3 2 3 2 1 1 2 4 4 14 5 14 7 11 6 5 2 2 5 9 10 16 18 3 7 3 3 2 2 3 3 4 9 4 3 3 6 3 3 3 2 21 55 6 88 31 4 2 1 1 3 3 10 9 10 6 3 5 30 5 3 2 3 4 5 3 8 9 8 4 3 4 8 8 3 2 2 2 5 37 12 6 3 1 2 3 14 4 2 4 6 5 35 21 4 15 14 7 8 7 4 2 1 1 1 2 3 2 1 2 1 1 1 2 1 0 1 2 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 1 2 2 2 1 2 4 11 5 28 63 33 13 6 7 2 0 4 7 100 71 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 dq 1H J 12 25 | 78 78 ddq 1H J 13 25 73 | 74 73 m 4H | 73 73 m 1H | 71 71 d 1H J 75 | 50 50 t 2H J 8 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)ONS(=O)(=O)c1ccccc1Br | ir: 11 7 4 10 4 8 3 6 3 5 12 6 4 6 5 4 3 3 4 6 4 3 1 3 3 2 1 3 3 1 0 3 4 2 3 6 4 6 6 11 14 8 62 11 7 3 6 8 4 1 5 11 19 18 16 11 8 3 4 4 3 0 2 16 22 11 22 6 5 4 3 5 3 3 6 5 1 3 9 4 1 2 4 12 41 41 25 11 3 3 3 3 1 1 3 2 2 9 24 15 16 7 8 4 2 2 4 4 2 3 8 11 18 15 73 38 24 7 4 4 2 3 6 4 3 6 5 3 2 2 2 2 2 2 2 2 10 23 5 2 2 2 3 9 6 12 5 6 10 4 2 1 1 2 2 0 2 3 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 3 2 1 3 3 4 2 2 3 3 2 5 8 8 3 8 44 14 3 3 3 2 1 2 3 2 1 2 2 1 0 2 2 2 2 10 23 100 42 8 5 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 80 80 dd 1H J 14 84 | 77 77 dd 1H J 13 80 | 76 75 ddd 1H J 13 71 85 | 75 74 s 1H | 74 74 ddd 1H J 14 71 82 | 21 21 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)C(=O)C=Cc1ccco1 | ir: 14 7 2 9 23 9 2 17 12 6 2 8 12 6 3 10 13 5 3 9 13 7 7 11 12 4 4 10 10 5 6 13 13 8 16 15 34 24 24 44 46 7 8 15 10 3 8 14 11 1 6 14 8 1 7 16 8 0 7 14 10 4 8 12 15 12 14 36 24 11 21 15 19 34 25 16 11 4 13 22 49 25 24 38 19 5 12 11 4 5 14 10 4 7 12 9 2 5 13 9 1 7 15 13 9 20 16 25 12 12 14 7 0 8 14 9 2 12 17 9 8 17 14 12 5 11 13 7 8 13 17 11 13 57 100 84 23 12 13 11 26 36 30 24 30 16 11 24 14 15 37 35 49 18 9 3 6 11 8 2 6 12 8 4 6 13 9 1 6 13 7 1 7 12 6 1 7 12 6 2 8 11 5 2 8 11 5 2 8 11 5 3 9 10 4 4 9 10 4 4 10 9 3 4 10 9 3 5 10 9 3 5 11 8 3 5 11 8 2 6 12 7 2 6 12 7 1 6 12 6 1 7 12 6 2 7 11 6 2 8 11 5 3 8 11 5 3 8 10 5 4 9 10 4 4 9 9 4 4 10 9 4 5 10 9 4 5 11 9 5 6 13 9 3 6 12 10 4 10 17 20 19 28 55 30 63 54 35 57 66 38 45 14 4 8 10 6 3 8 10 6 4 8 10 5 4 8 9 5 4 8 9 4 4 9 9 4 5 9 8 4 5 9 8 4 5 10 8 3 6 10 7 3 6 10 7 3 6 11 7 3 7 11 7 2 7 10 6 3 7 10 6 3 7 10 6 3 8 10 5 4 8 9 5 4 8 9 5 4 8 9 5 5 9 8 4 5 9 8 4 5 9 8 4 6 10 7 3 6 10 7 3 6 10 7 3 6 10 7 3; 1HNMR: 75 75 t 1H J 15 | 72 72 d 1H J 164 | 68 67 m 1H | 67 66 dd 1H J 11 49 | 66 65 dd 1H J 18 163 | 28 27 dtd 1H J 18 69 139 | 11 11 d 6H J 69 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNN(CC(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2-c2ccccc21 | ir: 13 9 22 16 15 10 7 6 2 15 7 18 7 5 2 11 8 12 8 3 2 4 11 6 2 3 2 3 3 9 5 4 4 12 3 4 3 12 23 25 36 16 93 25 11 10 8 9 3 5 7 5 3 1 2 3 2 1 2 3 3 4 5 5 8 2 3 2 3 2 2 4 16 7 5 10 4 1 2 4 6 11 6 6 14 12 4 2 2 2 7 6 4 4 3 4 2 4 4 3 3 4 15 9 4 5 15 11 2 3 3 4 3 5 5 3 2 33 65 31 25 6 3 12 13 35 12 3 5 10 19 39 13 10 15 6 14 14 4 3 41 11 4 15 28 9 6 2 5 4 11 0 38 2 3 2 2 3 2 2 5 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 2 1 2 3 2 3 5 3 2 3 6 4 3 5 5 5 6 5 12 24 14 16 29 68 8 5 3 3 3 6 3 5 3 3 4 4 3 4 6 1 5 95 100 31 12 5 2 3 3 2 2 2 3 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 77 76 ddd 2H J 7 15 77 | 76 75 td 2H J 13 78 | 74 74 td 2H J 14 78 | 47 46 q 1H J 51 | 45 45 d 2H J 49 | 43 43 s 2H | 43 42 m 1H | 27 26 d 3H J 51 | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
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