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CNC(=O)Nc1ccc(-c2ncc3c(n2)N2CCOCC2(C)C(=O)N3Cc2ccn(C)n2)cc1 | ir: 10 20 6 8 8 9 9 5 3 5 8 5 5 7 5 9 5 6 7 7 8 7 7 13 9 5 5 5 9 3 4 6 5 11 16 17 11 23 27 59 17 36 19 7 6 8 5 6 22 27 37 100 49 34 18 7 6 0 3 5 5 6 5 5 7 9 4 4 3 3 4 4 3 17 11 4 4 4 4 3 2 2 3 3 3 4 7 5 4 3 4 4 3 11 6 13 4 4 4 5 5 5 5 7 13 9 8 6 4 8 12 4 3 4 3 10 1 3 8 8 5 9 6 11 33 16 16 6 4 7 9 27 10 12 6 5 6 13 26 30 13 10 9 13 41 25 12 47 47 21 26 27 51 57 13 14 8 4 3 2 6 10 3 44 11 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 2 2 3 3 5 4 3 3 4 3 4 6 16 9 16 73 16 12 25 8 12 7 3 3 4 2 2 3 3 2 2 3 2 3 4 5 8 20 28 60 14 15 7 5 2 2 3 3 2 2 3 5 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 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; 1HNMR: 84 84 s 1H | 80 80 m 3H | 77 76 m 2H | 72 72 m 1H | 62 61 dt 1H J 9 34 | 61 60 q 1H J 47 | 54 53 m 2H | 43 42 d 1H J 104 | 42 42 ddd 1H J 39 61 145 | 41 40 ddd 1H J 38 62 145 | 40 40 d 1H J 104 | 39 38 m 2H | 39 38 s 3H | 27 27 d 3H J 46 | 14 14 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCC1CCC(c2ccc(-c3ccccc3)n2CC(=O)NC(=N)NC(=O)OC(C)(C)C)CC1 | ir: 1 1 0 1 0 1 0 1 1 2 1 1 1 2 6 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 1 1 1 1 2 1 3 7 2 4 4 4 6 22 18 20 12 5 3 4 2 2 1 6 4 2 1 1 1 0 0 0 0 1 2 2 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 2 5 8 5 2 1 1 0 0 0 1 1 1 1 3 2 0 1 1 0 1 0 2 3 1 2 1 0 1 4 2 1 0 1 2 1 1 1 1 1 0 0 1 1 1 1 2 1 1 2 1 1 1 1 0 0 1 3 4 1 2 2 2 2 8 100 8 1 1 2 8 4 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 0 4 8 3 1 6 4 3 2 1 1 1 1 0 0 0 0 0 0 2 3 32 2 1 1 1 1 1 1 5 12 4 1 1 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; 1HNMR: 92 92 s 1H | 87 87 s 1H | 75 74 m 2H | 74 73 m 3H | 63 62 d 1H J 73 | 62 62 m 1H | 56 56 s 1H | 48 47 s 2H | 31 30 pd 1H J 7 59 | 20 19 dddd 2H J 48 59 75 124 | 17 16 dddd 2H J 48 59 75 124 | 15 14 m 3H | 14 14 s 10H | 14 12 m 7H | 9 9 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NC(=O)c1cc(F)cc(Cl)c1 | ir: 1 1 0 1 1 5 1 1 1 1 2 2 2 2 2 5 9 3 12 21 12 2 1 2 5 2 1 1 2 1 1 1 1 3 2 2 3 19 58 10 3 1 3 3 1 0 1 2 1 0 2 2 1 0 1 3 1 0 1 1 1 0 1 3 6 9 9 3 2 2 1 1 1 2 2 7 1 1 2 2 1 0 2 2 1 1 1 1 1 1 1 2 2 7 1 1 0 1 1 1 0 1 2 3 0 1 1 1 0 1 1 1 0 1 1 1 0 1 4 1 0 1 1 1 15 2 2 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 2 10 4 3 1 1 1 2 1 3 2 2 2 2 35 12 5 1 4 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 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 7 7 7 6 5 3 2 1 1 1 1 1 0 1 1 2 1 1 1 2 24 8 1 1 1 2 1 0 2 2 1 1 6 100 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 t 1H J 22 | 77 76 dt 1H J 22 121 | 75 75 s 2H | 73 72 dt 1H J 22 123 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)ON1CCc2ccccc21 | ir: 3 2 7 2 9 6 1 2 3 7 4 2 3 2 4 2 1 1 1 1 1 1 1 1 1 1 1 4 6 4 1 2 2 1 1 5 9 4 2 9 9 52 50 100 7 4 2 1 2 5 2 0 1 2 1 1 1 4 2 2 3 4 4 1 2 2 1 1 5 1 2 5 7 12 12 3 7 3 1 0 1 2 1 1 3 3 5 6 41 9 3 2 4 4 1 2 1 3 4 4 3 3 2 9 17 2 1 1 2 1 2 1 10 3 1 2 2 3 7 10 8 13 4 8 4 6 7 5 13 12 14 3 3 2 1 3 3 24 23 15 12 25 16 2 2 3 2 2 3 14 21 2 2 1 1 1 1 1 4 3 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 4 4 2 2 3 3 2 2 4 3 7 11 31 30 21 23 47 82 80 5 1 3 4 1 0 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 td 1H J 18 75 | 71 71 ddt 1H J 8 17 83 | 70 69 m 2H | 37 37 t 2H J 36 | 30 29 m 2H | 13 13 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=Cc1cccc(OC)c1NC(=O)CC1c2ccccc2Oc2ccccc21 | ir: 0 0 0 0 0 0 0 0 1 3 2 1 0 1 2 3 3 4 5 1 1 1 1 1 1 1 1 2 3 2 6 2 2 3 4 3 1 2 4 1 3 9 5 100 0 4 2 7 4 2 2 1 1 3 1 0 1 7 3 2 0 0 0 0 0 0 1 1 1 4 4 5 5 3 1 1 1 1 1 0 1 1 0 2 4 1 1 1 1 2 2 2 2 5 2 1 1 1 0 5 2 1 0 0 1 0 0 1 2 4 1 1 1 1 1 0 0 0 1 1 1 1 0 0 0 1 0 0 0 1 0 1 2 1 1 1 5 6 2 2 19 1 1 1 2 13 4 4 41 6 5 1 1 0 1 1 2 1 3 1 2 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 1 0 0 1 1 1 1 0 1 3 6 2 2 4 6 6 24 59 26 4 2 5 3 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 11 29 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; 1HNMR: 89 89 s 1H | 73 73 m 3H | 72 71 m 4H | 70 68 m 5H | 57 56 dd 1H J 24 163 | 55 54 dd 1H J 24 108 | 47 46 m 1H | 39 39 s 2H | 29 29 d 2H J 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1CCC(=C2c3ccccc3OCc3ccsc32)CC1 | ir: 2 2 1 1 0 4 1 0 1 1 1 4 5 1 1 1 0 1 2 1 0 0 0 0 0 1 0 11 3 0 0 0 1 0 0 1 1 0 1 3 10 90 61 15 45 10 2 2 1 1 0 0 0 0 3 3 3 9 1 1 3 1 1 2 6 5 13 11 2 7 2 3 5 8 16 19 3 1 2 6 48 2 3 6 3 6 3 3 2 7 11 1 1 2 1 1 8 19 1 7 1 1 2 4 4 3 1 1 1 1 1 2 7 4 2 1 1 1 5 3 3 1 1 2 8 8 5 7 6 4 4 5 14 10 5 2 3 33 7 6 13 6 3 1 4 1 1 2 100 3 0 2 12 1 1 1 1 1 0 6 2 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 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 1 1 1 1 3 3 5 3 2 2 2 2 5 6 14 13 32 71 39 37 6 2 2 1 2 2 1 1 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 dd 1H J 17 78 | 73 72 td 1H J 16 78 | 72 72 m 2H | 70 69 dt 2H J 12 73 | 52 52 d 2H J 7 | 28 27 t 4H J 46 | 27 26 m 4H | 23 23 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cc(OC(C)=O)c2cc(CC)oc2c1 | ir: 4 5 5 7 2 5 5 3 6 3 4 3 3 4 5 5 4 4 4 2 3 5 6 36 21 31 23 10 3 5 4 2 2 3 6 5 3 5 2 2 3 3 5 3 10 12 4 2 6 3 3 2 2 3 2 1 4 3 2 1 2 3 2 6 4 4 3 6 33 9 6 8 10 7 7 8 3 2 2 2 2 2 2 3 5 2 1 2 2 2 1 1 2 2 1 4 7 3 6 15 4 3 3 2 2 3 2 6 14 20 3 5 6 8 7 5 8 5 7 9 9 6 4 10 31 22 7 16 14 6 3 2 3 3 2 2 3 8 2 3 2 3 5 7 28 30 100 14 8 2 1 3 2 0 2 3 2 1 3 2 2 1 3 4 3 1 2 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 1 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 5 5 6 2 3 3 3 6 4 3 4 5 6 6 17 40 6 10 48 14 25 13 4 4 4 3 4 3 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 79 d 1H J 23 | 77 76 d 1H J 23 | 68 68 d 1H J 9 | 44 44 q 2H J 64 | 29 28 qd 2H J 9 73 | 21 21 s 2H | 14 14 t 3H J 64 | 13 13 t 3H J 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCn1cc(C)ncc1=O | ir: 45 18 0 17 30 15 2 20 24 11 2 18 66 23 4 16 24 16 25 41 28 9 5 18 21 7 5 19 20 6 5 21 20 14 22 41 36 32 20 25 21 13 17 24 16 3 10 25 18 3 12 26 17 19 25 67 27 3 13 26 42 13 31 28 12 1 15 25 14 7 24 38 10 4 17 23 8 4 18 21 7 8 29 43 20 9 20 19 5 7 30 34 65 68 34 20 7 9 21 16 6 11 25 27 14 16 27 15 4 16 29 17 2 26 35 16 11 17 30 27 27 50 27 12 3 17 23 10 3 17 23 10 5 24 31 38 100 21 23 39 47 39 21 9 8 18 17 6 8 19 16 6 11 25 26 28 13 20 14 5 11 26 20 5 11 21 13 3 12 22 12 2 12 22 12 3 13 21 11 4 14 21 10 4 15 20 10 5 15 19 9 6 16 18 8 6 17 18 7 7 17 17 7 8 18 16 6 9 19 15 5 9 19 15 5 10 20 14 4 11 21 13 3 11 21 13 3 12 22 12 3 13 21 11 4 13 20 11 5 14 20 10 5 15 19 10 6 15 18 9 7 16 18 8 7 17 17 8 8 17 16 7 9 18 16 6 9 19 15 9 15 21 16 6 12 21 16 6 13 22 15 9 16 33 29 9 17 21 17 30 43 62 16 8 15 19 11 6 15 19 10 6 15 18 9 6 15 18 9 7 16 17 8 8 16 16 8 8 17 16 7 9 17 15 7 10 18 14 6 10 19 14 6 11 19 13 5 11 20 13 4 12 20 12 5 13 19 11 5 13 19 11 6 14 18 10 6 14 18 10 7 15 17 9 7 15 17 9 8 16 16 8 9 16 15 8 9 17 15 7 10 17 14 7 10 18 14 6 11 18 13 6 11 19 13 6 12 19 12 5; 1HNMR: 73 73 dq 1H J 9 19 | 72 72 s 1H | 39 38 qd 2H J 9 77 | 21 21 d 3H J 16 | 13 12 t 3H J 78 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(CCCc1ccc(F)cc1)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)N(C)C)CC1 | ir: 0 3 5 2 1 3 6 3 8 6 10 7 3 4 11 3 3 6 4 9 2 3 8 4 3 2 3 6 27 7 12 4 2 3 3 3 3 2 3 3 3 3 2 1 2 11 3 5 4 4 5 3 10 4 15 27 8 7 4 2 4 5 3 1 4 10 33 10 13 4 2 2 10 9 2 2 6 9 3 3 7 20 8 65 13 19 14 6 3 3 2 4 4 8 5 4 8 6 4 5 4 4 5 5 6 4 1 3 8 6 7 5 10 6 3 6 2 6 6 2 6 2 5 4 10 5 3 6 5 7 3 5 4 4 12 4 5 2 1 2 2 3 4 2 3 3 4 24 23 6 3 4 11 1 1 2 2 3 5 3 2 1 39 2 1 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 2 2 3 2 1 2 2 5 1 2 3 4 5 3 4 2 2 3 4 5 17 14 13 18 11 13 8 4 1 7 6 9 100 60 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H | 72 71 ddt 2H J 9 35 81 | 71 70 m 2H | 67 66 d 1H J 23 | 64 64 dd 1H J 7 22 | 39 39 t 2H J 10 | 34 34 s 2H | 29 28 m 7H | 28 27 qt 1H J 63 71 | 27 26 m 2H | 23 23 ddt 2H J 10 44 53 | 19 15 m 4H | 15 14 d 6H J 9 | 12 11 d 3H J 69 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)Cc1ccccc1CNc1ncnc2nn(Cc3ccc(Cn4cccn4)cc3)cc12 | ir: 2 2 2 2 4 4 5 8 7 12 6 7 8 19 5 4 5 20 21 12 17 49 44 69 10 15 3 10 6 6 4 8 11 13 9 7 7 6 4 22 20 70 14 20 5 9 5 4 3 5 5 4 5 5 2 12 9 7 8 7 2 2 1 1 1 2 4 5 4 10 2 1 1 1 5 6 3 7 8 5 19 4 4 3 18 11 4 3 6 25 19 6 4 5 7 3 4 7 3 5 20 5 3 18 2 2 1 1 1 1 1 2 3 1 0 2 2 8 9 3 9 6 3 12 7 8 10 6 3 2 5 3 2 2 4 0 38 10 1 10 20 27 49 100 32 9 3 3 34 32 39 9 4 2 31 3 2 0 1 10 80 4 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 2 2 1 3 2 0 1 3 3 3 11 10 30 42 25 13 12 30 13 1 3 6 5 1 2 2 2 4 2 4 2 8 5 4 3 9 22 15 55 10 5 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 s 1H | 81 81 t 1H J 9 | 75 75 t 1H J 56 | 74 74 m 1H | 74 73 d 1H J 31 | 73 72 m 1H | 73 72 s 4H | 72 72 m 2H | 72 71 ddd 1H J 32 73 81 | 63 62 t 1H J 30 | 54 54 q 2H J 9 | 54 53 q 2H J 9 | 48 47 dd 2H J 7 55 | 36 36 d 2H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCC(=O)c1ccc(OC)c(Cl)c1Cl | ir: 1 6 8 5 3 5 6 6 3 3 4 3 3 2 4 2 1 3 5 7 6 6 5 4 4 7 6 6 5 5 2 2 7 6 5 4 5 9 4 7 12 7 5 8 9 14 5 5 15 16 7 5 6 30 94 33 8 31 18 8 5 3 2 1 4 5 4 1 7 4 4 1 3 3 3 1 3 5 1 0 2 2 1 1 2 2 1 1 2 3 2 6 7 10 3 2 2 2 1 2 2 2 1 2 4 18 8 3 3 4 4 6 9 11 18 5 6 8 8 11 14 10 17 11 20 13 29 10 7 4 2 6 11 7 5 12 22 16 13 16 7 6 36 14 6 5 30 12 9 7 11 31 10 2 2 3 2 0 1 44 4 1 1 3 1 0 2 2 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 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 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 3 7 5 9 8 9 4 2 3 6 7 14 29 9 14 100 41 10 3 1 4 3 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 77 77 d 1H J 90 | 70 70 d 1H J 88 | 39 39 s 2H | 31 30 t 2H J 67 | 17 16 dtd 2H J 66 74 140 | 10 9 t 3H J 74 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)c1c(NC(=O)CCc2ccc(C(F)(F)F)cc2)nn2cccnc12 | ir: 4 1 2 1 1 1 1 1 2 4 2 2 8 4 6 9 7 5 4 5 1 2 8 2 3 6 3 2 4 23 7 3 2 4 2 1 1 1 1 2 3 7 4 5 8 30 19 12 26 20 8 4 10 31 35 5 12 4 3 2 5 4 3 2 2 2 23 3 5 4 1 2 1 2 2 2 1 2 1 1 1 1 1 1 2 4 11 21 4 3 4 2 1 2 4 6 4 4 33 34 12 3 1 1 1 3 15 4 4 4 3 5 100 8 2 4 3 3 3 3 4 2 0 2 4 3 11 9 3 2 4 3 2 3 4 2 5 3 3 2 2 2 2 1 2 14 6 15 9 9 8 6 22 8 61 8 3 31 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 3 2 1 1 3 2 6 7 8 11 13 22 15 11 11 13 4 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 3 6 17 46 8 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 90 89 dd 1H J 13 66 | 86 86 dd 1H J 14 70 | 76 75 dq 2H J 13 72 | 73 73 dt 2H J 9 69 | 70 70 t 1H J 69 | 29 29 tq 2H J 7 81 | 28 27 td 2H J 8 81 | 15 15 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1nc2nc(S[C@@H](C)c3cccc(F)c3)nc(N[C@@H](CO)CC(C)C)c2s1 | ir: 10 13 5 6 5 9 10 7 12 7 4 5 4 4 2 6 4 4 8 7 2 2 4 12 9 5 3 3 3 2 6 5 1 1 2 2 3 2 3 7 5 2 100 63 12 11 4 38 2 7 4 0 2 2 1 2 1 1 1 1 2 1 2 1 2 6 5 6 3 2 3 1 2 3 2 2 3 3 2 5 8 3 3 3 2 2 2 5 6 3 6 7 18 33 25 8 5 4 3 3 0 5 4 3 0 16 7 20 3 2 5 6 6 3 7 7 10 57 9 2 2 1 3 4 2 1 2 1 7 2 2 1 3 2 3 10 5 2 1 9 13 25 4 8 1 1 1 2 90 10 4 5 10 77 66 14 4 2 2 4 10 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 1 1 1 1 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 1 2 7 3 3 6 2 13 29 9 2 3 3 20 22 19 12 7 3 2 1 1 3 6 1 2 2 1 1 2 3 8 29 94 10 3 6 6 3 1 1 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 td 1H J 50 74 | 73 72 ddt 1H J 9 18 71 | 72 72 d 1H J 75 | 71 69 m 2H | 42 42 m 1H | 40 40 s 2H | 39 38 ddd 1H J 42 51 115 | 38 37 qt 1H J 43 74 | 37 37 t 1H J 52 | 37 36 ddd 1H J 42 51 115 | 19 19 d 3H J 66 | 17 15 m 2H | 14 13 m 1H | 9 8 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@@]12C=CC=C1C1=CCC3CCCC[C@@H]3[C@H]1CC2 | ir: 1 0 0 0 1 2 0 0 1 0 0 1 0 0 0 1 0 1 2 0 0 1 1 2 3 2 1 3 1 1 4 74 13 1 0 1 1 0 3 1 0 1 0 2 0 1 1 1 2 1 1 3 2 2 12 1 1 2 2 6 7 3 8 8 6 6 2 8 3 1 1 1 2 1 1 2 2 4 1 0 2 1 0 0 1 3 1 1 1 1 1 3 6 5 2 2 1 2 0 3 1 1 0 2 5 9 9 5 2 2 3 6 12 2 3 4 3 3 9 8 3 8 6 7 2 3 3 2 2 7 5 6 4 4 2 2 1 2 2 1 24 5 2 1 1 1 1 1 1 4 6 31 5 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 1 2 2 5 4 4 2 2 5 4 1 4 13 49 16 100 38 4 6 2 1 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 d 1H J 78 | 70 69 m 1H | 63 63 dq 1H J 10 81 | 57 57 td 1H J 19 56 | 23 22 dddd 1H J 10 55 62 152 | 22 21 dddd 1H J 9 55 64 152 | 21 20 m 1H | 20 19 dddd 1H J 9 69 97 117 | 19 12 m 16H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)Cc1cc(Br)cc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2F)c1 | ir: 0 1 3 2 0 2 4 2 5 5 6 6 3 29 10 3 1 2 7 22 36 71 24 13 3 5 2 1 3 8 8 8 3 3 2 1 1 8 1 3 33 2 1 3 2 2 2 0 1 2 1 0 1 2 7 1 3 2 1 0 1 2 6 1 11 5 7 8 9 3 1 0 1 3 2 5 8 26 16 62 5 4 9 8 42 36 7 2 4 3 11 2 3 2 6 2 1 9 9 3 11 6 3 1 1 1 0 0 1 1 3 1 1 1 0 1 1 3 1 5 17 4 1 5 5 2 1 4 4 1 1 1 2 1 5 7 1 0 0 2 4 4 10 56 15 6 3 1 2 17 4 1 1 1 1 1 1 1 13 4 7 2 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 2 1 1 1 3 2 7 8 8 32 100 56 7 5 2 2 4 2 4 6 58 2 2 1 1 0 0 0 1 0 1 0 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 dt 2H J 12 79 | 78 78 dd 1H J 21 104 | 77 77 dd 1H J 22 121 | 76 75 m 3H | 74 73 m 2H | 72 71 dd 1H J 47 104 | 68 68 tt 1H J 8 21 | 36 35 t 2H J 8 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=Cc1cc(OCc2ccc(F)cc2F)cc(=O)n1-c1c(F)cccc1F | ir: 1 1 1 1 5 2 2 1 1 2 2 3 2 2 3 2 3 3 2 2 2 1 4 8 4 3 1 3 3 5 1 1 1 2 2 3 9 3 1 1 2 3 5 4 6 2 15 24 6 3 2 2 3 8 7 4 2 2 3 3 2 2 3 6 3 18 29 24 17 19 10 2 4 12 4 11 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 9 4 4 6 6 6 4 1 1 2 4 5 4 8 15 3 4 5 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 2 2 1 1 1 2 14 3 2 1 4 3 6 3 1 7 5 9 4 1 1 2 5 17 25 7 11 3 3 3 11 4 2 3 100 16 2 0 19 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 2 2 4 7 65 28 17 13 3 4 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 d 1H J 13 | 74 72 m 2H | 71 70 m 2H | 69 69 m 1H | 69 68 m 1H | 68 68 m 1H | 63 63 d 1H J 7 | 53 52 dd 2H J 8 36 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=C(C)C(=O)OC(COCc1ccccc1)COCc1ccccc1 | ir: 3 4 3 5 4 6 11 6 16 6 8 2 4 4 3 4 6 39 11 8 8 6 7 11 5 7 2 1 4 6 22 18 8 11 2 15 15 0 58 100 56 15 6 8 7 8 4 5 4 5 2 1 3 3 1 0 2 1 3 1 4 5 4 4 7 23 10 14 53 20 6 6 7 10 10 14 15 13 12 8 3 3 2 2 1 1 2 3 16 10 4 3 2 4 13 18 4 13 4 5 2 1 1 2 2 2 3 2 2 2 2 2 2 2 4 9 6 7 6 6 1 6 8 12 9 6 8 8 4 2 2 3 4 8 23 93 11 9 4 1 4 9 27 16 10 31 61 10 3 7 1 4 12 2 2 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 1 1 1 1 0 1 0 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 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 1 3 5 2 3 4 5 5 2 6 9 23 32 30 69 46 15 11 23 7 5 3 1 4 2 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 10H | 59 59 dq 1H J 9 18 | 58 58 dq 1H J 13 26 | 50 49 p 1H J 55 | 45 44 m 4H | 40 39 dd 2H J 54 119 | 37 37 dd 2H J 55 121 | 20 19 t 3H J 11 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCCc1cncc(-c2nc(-c3ccc4[nH]c5c(c4c3)CCC5CC(=O)OCC)no2)c1 | ir: 4 5 3 9 4 3 3 2 1 2 2 2 2 4 19 4 1 2 1 2 3 5 4 6 21 37 5 3 1 3 5 1 3 8 100 28 1 5 7 2 2 1 1 1 1 1 2 1 1 2 1 2 2 6 6 6 3 1 2 2 2 2 1 6 3 2 2 6 10 12 3 2 4 5 10 9 3 4 3 4 1 2 1 1 1 2 1 1 2 4 4 7 3 1 2 2 5 6 5 5 6 7 6 13 3 6 4 14 5 3 2 10 7 20 4 3 6 7 4 6 2 8 3 6 12 6 32 20 25 10 6 10 10 3 4 3 2 2 16 12 97 4 32 10 20 8 2 2 2 1 1 2 2 1 1 4 5 2 24 3 1 3 4 1 2 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 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 4 4 3 2 3 3 3 4 7 27 10 8 44 4 4 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 5 2 9 27 2 7 5 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 91 t 1H J 16 | 84 84 tt 1H J 9 17 | 81 80 m 2H | 80 79 tt 1H J 7 17 | 76 75 dd 1H J 7 90 | 42 41 q 2H J 68 | 32 32 tt 1H J 46 59 | 30 29 m 2H | 29 28 ddd 1H J 55 73 152 | 27 26 m 3H | 23 22 dddd 1H J 46 55 73 121 | 20 19 dddd 1H J 46 55 73 119 | 17 16 tt 2H J 70 89 | 14 13 qddd 7H J 18 46 70 102 | 13 12 t 3H J 66 | 9 8 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CC(Nc1cncc(Br)c1)c1ccsc1 | ir: 3 2 1 4 8 10 4 15 16 20 8 2 3 5 14 32 28 17 8 5 4 2 2 5 6 9 4 3 3 2 2 3 17 17 18 5 4 1 2 5 3 2 4 15 35 18 14 3 2 3 2 2 3 7 6 12 4 9 8 6 3 1 3 2 4 7 16 6 7 2 2 2 1 1 2 2 2 2 10 9 3 2 3 3 2 1 2 2 2 4 6 3 1 5 10 8 3 2 2 1 1 1 2 2 4 7 4 2 1 2 5 15 31 25 13 5 6 5 15 32 4 4 4 3 5 7 7 4 3 2 1 4 8 24 32 10 0 3 3 3 23 100 9 14 11 3 3 1 1 5 10 16 13 7 4 1 16 16 2 1 3 4 3 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 3 4 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 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 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 3 3 3 3 2 5 8 14 32 24 22 7 3 4 3 2 1 4 5 3 2 2 3 1 1 3 5 4 10 23 40 63 73 24 4 3 2 2 1 2 1 2 1 1 3 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 84 84 t 1H J 17 | 81 81 t 1H J 16 | 76 75 dt 1H J 11 21 | 75 75 t 1H J 16 | 74 74 dd 1H J 17 41 | 74 74 m 1H | 63 63 d 1H J 75 | 60 60 dd 1H J 9 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H](O)[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(N)sc12 | ir: 5 4 3 5 3 3 12 17 9 10 9 13 16 11 7 6 5 7 8 5 20 14 7 12 12 12 6 4 3 4 3 2 2 6 5 2 1 4 5 0 5 21 79 85 19 2 3 6 8 28 3 4 2 0 2 3 2 2 3 4 2 2 3 3 2 2 1 2 2 2 3 2 2 2 2 4 3 2 6 4 3 4 3 2 3 2 3 4 6 13 25 6 5 6 6 9 4 1 3 3 5 3 2 2 1 2 20 15 10 5 2 5 5 2 3 3 7 10 2 2 1 2 2 2 11 5 2 2 2 2 3 2 3 16 5 5 3 1 1 10 5 3 3 3 2 2 2 1 34 16 4 12 33 69 100 6 3 4 4 1 2 3 2 1 2 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 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 2 1 1 2 1 1 2 2 3 2 1 2 2 2 2 2 5 5 4 8 10 12 4 5 24 48 24 10 11 3 2 3 2 3 1 3 3 3 6 33 4 3 2 5 14 30 27 3 8 5 46 63 5 2 3 2 3 2 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 m 1H | 72 71 m 2H | 71 70 m 1H | 68 68 s 2H | 45 44 dd 2H J 8 37 | 42 42 t 1H J 49 | 39 38 dt 1H J 48 116 | 39 37 m 3H | 37 36 dt 1H J 49 115 | 12 12 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1C=C(N2CCOCC2)C(c2ccc(N3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1 | ir: 8 4 6 5 6 5 2 6 5 5 5 5 6 5 12 67 80 11 14 5 7 7 8 10 9 3 4 9 21 20 5 9 5 5 4 9 29 12 15 7 8 23 15 9 8 4 5 4 6 7 7 2 6 28 34 100 21 0 14 22 4 1 6 7 8 6 7 11 7 5 7 8 26 28 8 8 6 8 15 18 3 5 8 13 5 15 7 9 5 10 7 5 4 3 16 13 2 9 19 27 18 16 22 5 3 37 8 21 1 3 7 5 1 4 6 4 3 5 8 7 6 8 17 13 7 23 16 5 2 6 6 7 5 5 5 4 2 4 6 10 13 7 6 2 23 46 7 3 3 18 32 6 9 43 25 20 4 6 5 7 17 63 5 6 9 5 3 3 3 4 3 2 3 4 3 2 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 3 4 3 2 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 3 3 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 4 2 6 5 6 3 3 5 5 3 4 10 9 17 37 59 9 14 10 12 3 3 4 4 3 3 4 4 3 2 3 4 3 3 4 3 3 3 3 4 11 80 14 8 2 2 4 4 2 2 4 4 2 3 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 4 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 90 90 d 1H J 59 | 80 80 d 1H J 59 | 77 77 d 1H J 21 | 76 76 dd 1H J 20 75 | 75 75 d 1H J 75 | 71 70 m 2H | 68 68 m 2H | 56 55 d 1H J 18 | 54 53 dd 1H J 9 19 | 39 38 m 4H | 37 36 t 4H J 46 | 35 34 m 4H | 32 32 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(F)ccc1-c1ccncc1N(C)C(=O)c1cc(Cl)cc(Cl)c1 | ir: 1 3 3 1 1 1 9 2 1 1 2 1 2 3 3 4 1 5 4 1 2 4 2 1 1 1 2 2 2 1 1 2 1 2 2 4 4 9 100 4 5 3 2 11 1 2 2 1 1 1 1 1 2 2 3 10 12 5 2 1 1 1 1 5 22 40 22 9 7 8 8 16 9 3 9 5 2 4 5 2 1 1 1 1 5 4 5 2 3 9 3 8 2 2 1 1 1 8 1 1 2 1 1 2 1 1 1 1 1 1 2 1 9 1 1 1 3 4 1 2 2 7 33 6 5 2 1 2 12 10 11 3 2 2 1 2 2 7 5 3 2 1 2 2 2 12 57 17 16 1 8 4 7 5 1 2 1 3 4 3 3 2 19 3 1 0 1 2 1 0 1 2 1 0 1 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 1 1 1 0 1 2 2 2 1 2 5 6 22 9 15 86 28 19 8 5 6 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 m 2H | 78 77 d 2H J 22 | 75 75 dd 1H J 50 81 | 75 74 m 1H | 74 74 t 1H J 22 | 71 70 m 2H | 33 33 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. |
CCCCC(COS(C)(=O)=O)c1ccc2c(c1)OCO2 | ir: 11 7 37 18 12 18 5 3 2 2 1 11 3 1 1 1 1 3 1 1 4 3 0 1 7 2 1 1 9 1 1 1 1 2 21 4 11 2 2 2 1 4 1 2 1 2 2 1 4 4 9 5 8 37 38 6 3 8 11 7 11 2 7 7 13 67 18 21 31 45 26 37 48 69 15 10 4 10 7 7 2 1 1 1 2 4 17 37 58 23 14 6 1 1 1 1 3 9 100 29 53 21 12 7 5 3 2 7 6 13 4 2 1 3 5 3 5 5 2 11 13 10 30 7 1 4 7 4 1 2 1 1 0 1 1 1 1 1 1 1 2 3 8 4 1 1 1 0 0 5 34 4 4 8 2 1 1 1 1 0 1 2 6 1 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 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 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 4 5 3 1 1 2 4 2 2 3 3 5 5 5 74 27 30 26 30 56 10 7 2 2 2 2 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 68 67 m 3H | 59 59 s 2H | 44 43 dd 1H J 63 124 | 41 40 dd 1H J 63 124 | 31 30 tt 1H J 62 71 | 30 30 s 2H | 19 18 dtd 1H J 71 86 137 | 16 15 dtd 1H J 71 87 137 | 14 12 m 5H | 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@H]1Cc2ccccc2[C@H]1Nc1cncc(Cl)n1 | ir: 4 8 9 2 4 5 4 3 3 10 10 10 15 5 3 8 4 10 5 25 14 1 8 4 4 7 5 7 6 6 9 3 3 3 3 4 5 4 3 2 6 5 16 6 1 2 1 1 2 1 1 3 1 2 2 2 9 2 2 1 2 6 2 5 2 6 2 6 2 1 0 1 3 2 1 4 1 3 9 8 37 2 2 4 6 24 7 14 14 10 5 3 1 1 1 2 1 6 25 2 1 1 1 1 6 2 2 3 2 3 2 8 24 5 14 4 6 3 1 1 2 3 5 3 6 3 5 17 1 2 2 3 3 23 3 1 1 14 6 6 8 4 3 3 3 10 100 21 3 10 0 1 1 2 2 1 1 1 7 4 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 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 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 3 1 2 3 1 2 2 2 5 7 9 15 3 2 2 1 5 4 14 6 5 3 2 1 1 1 2 1 2 2 2 3 3 15 9 16 14 77 6 1 1 0 1 0 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; 1HNMR: 80 80 d 1H J 16 | 79 79 d 1H J 16 | 73 71 m 4H | 69 69 d 1H J 84 | 54 54 m 1H | 45 45 ddt 1H J 40 49 59 | 31 30 m 2H | 28 28 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1[nH]c2ccc(-n3cccc3)cc2c1-c1ccccc1 | ir: 6 3 3 3 2 2 3 3 3 3 4 3 7 3 3 2 2 3 3 3 5 100 3 8 3 2 4 7 6 5 3 3 5 9 8 3 16 29 12 8 22 9 4 3 3 3 3 2 3 2 2 2 2 6 22 3 2 2 3 2 2 3 3 2 4 3 3 4 11 5 3 2 8 3 3 46 3 4 3 3 2 3 2 2 2 3 5 4 3 5 2 3 3 4 3 3 2 12 3 3 3 3 4 2 2 2 2 2 12 3 3 3 7 6 2 8 10 7 3 3 3 5 3 5 4 3 2 2 3 2 4 3 3 3 5 4 3 3 2 12 3 6 16 0 16 5 14 5 13 14 10 60 7 2 2 3 2 3 3 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 2 2 2 3 3 2 3 3 3 4 9 8 12 25 18 9 18 15 15 8 6 3 3 4 3 3 2 2 2 2 3 2 3 2 3 3 4 4 3 8 20 6 3 3 3 3 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 78 d 1H J 21 | 77 76 dd 1H J 22 81 | 75 74 m 6H | 74 73 m 1H | 71 70 m 2H | 62 62 m 2H | 44 43 q 2H J 63 | 14 13 t 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(-c3ccccc3)cccc21 | ir: 4 5 3 4 5 7 4 6 5 7 10 25 2 5 9 13 9 23 10 10 4 4 3 3 3 4 3 7 3 3 4 4 3 3 3 3 3 3 3 5 25 33 13 2 4 8 9 25 100 0 7 8 3 0 3 4 3 1 3 4 4 4 3 5 3 4 5 6 8 3 5 6 5 3 3 4 7 3 4 4 3 10 6 3 3 4 3 5 66 1 6 7 13 5 4 4 3 3 3 3 4 4 4 3 2 2 9 3 2 3 3 6 3 10 8 3 2 4 6 7 5 4 4 3 2 4 6 12 7 4 4 3 3 4 5 14 6 4 5 12 5 5 4 11 3 4 3 2 3 4 5 13 7 3 4 3 4 20 18 3 3 4 3 3 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 4 3 4 6 4 6 18 35 17 15 11 13 5 14 29 9 4 3 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 81 80 dd 1H J 12 72 | 76 76 s 1H | 76 75 dd 1H J 68 82 | 75 74 m 5H | 74 73 m 2H | 73 73 dd 1H J 65 72 | 72 71 s 1H | 70 70 dd 1H J 12 67 | 68 68 dd 1H J 12 81 | 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)OCc1cc(Br)ccc1F | ir: 3 3 3 4 3 4 6 4 3 3 1 6 5 4 5 7 7 7 13 10 4 3 3 5 2 2 1 2 1 1 1 2 3 4 3 3 2 1 2 3 2 1 1 2 1 1 1 2 2 0 2 4 3 0 37 1 2 3 3 3 3 3 3 8 8 20 16 32 10 11 6 4 5 3 2 1 1 2 3 4 11 10 2 2 2 4 4 2 1 1 2 2 3 6 7 10 17 9 12 9 14 20 10 4 3 2 2 2 1 2 2 2 2 5 5 3 4 4 6 10 15 17 10 21 8 9 7 14 8 3 3 3 2 1 2 2 3 1 2 4 7 40 38 36 60 31 6 11 57 38 5 3 27 8 3 0 1 3 2 1 3 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 2 3 3 1 3 4 3 3 5 5 4 4 7 21 18 21 23 100 28 19 4 5 3 6 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 ddd 1H J 10 21 31 | 74 74 ddd 1H J 23 36 75 | 70 69 dd 1H J 75 102 | 53 52 dd 2H J 9 35 | 21 21 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)Cn1ccc(NC(=O)OCc2ccc3c(c2)OCO3)nc1=O | ir: 8 7 9 9 5 2 2 3 9 6 3 3 3 1 1 5 4 2 1 1 2 2 2 1 1 1 1 3 11 11 4 2 4 2 1 1 1 4 2 3 6 9 6 7 8 8 8 16 24 87 21 82 77 53 58 25 6 7 4 6 3 1 2 13 10 25 19 26 19 13 7 3 3 5 3 2 1 0 1 1 1 2 10 4 1 8 6 1 1 2 3 1 2 2 2 3 3 4 18 5 4 4 5 2 2 4 3 5 9 2 3 2 2 9 16 9 5 4 5 8 2 3 4 3 8 20 11 16 5 10 3 3 2 1 1 1 2 4 3 1 0 8 25 8 26 9 4 7 8 23 21 32 30 19 100 38 5 3 2 2 4 22 5 3 2 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 2 2 2 1 2 2 2 5 10 11 9 13 34 27 13 14 11 8 1 3 2 1 1 1 1 1 0 1 2 1 1 1 1 2 4 10 12 25 26 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 91 91 s 1H | 79 79 dt 1H J 9 72 | 69 69 ddt 1H J 9 18 88 | 68 68 dt 1H J 8 17 | 68 67 d 1H J 87 | 67 66 d 1H J 71 | 59 59 s 2H | 52 52 t 2H J 9 | 46 45 d 2H J 9 | 42 41 q 2H J 66 | 13 12 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=COC(=O)OCCOC(=O)C(=C)C | ir: 27 27 21 17 5 11 10 7 14 11 4 6 13 8 8 8 24 27 37 23 6 3 5 8 7 3 2 3 5 4 8 9 7 3 2 3 4 2 3 4 3 1 2 3 2 0 2 4 3 3 2 5 3 1 3 3 2 0 2 5 3 1 5 11 4 2 8 11 7 11 53 18 19 9 12 12 9 6 5 3 2 4 3 4 3 3 4 3 2 2 4 3 15 12 10 10 31 20 16 5 2 2 4 4 1 2 4 2 2 3 13 7 9 13 38 52 18 16 9 5 2 3 4 4 4 5 3 7 31 19 23 17 10 9 6 4 7 9 22 13 15 9 8 18 20 45 61 100 8 21 10 0 1 4 3 1 3 4 4 2 3 8 4 2 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 3 3 5 5 6 6 4 3 12 29 10 11 14 28 12 27 22 14 8 32 14 41 21 12 5 4 3 3 3 3 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 74 73 m 1H | 59 58 dq 1H J 9 18 | 56 56 dq 1H J 15 27 | 50 49 dd 1H J 29 101 | 46 45 dd 1H J 29 156 | 45 44 m 4H | 20 19 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)NCc1cc(-c2ccn(-c3ccc4c(c3)CC(=O)CO4)n2)ccc1Cl | ir: 12 16 13 17 1 10 5 8 11 13 14 10 5 5 8 4 3 7 8 6 5 3 5 14 28 28 21 28 17 19 13 12 5 7 8 19 5 3 1 3 3 1 1 3 3 5 4 2 19 30 32 10 6 11 26 25 7 5 3 4 2 3 7 11 3 6 7 11 15 4 4 2 5 9 4 2 1 1 3 2 4 1 1 2 1 2 3 2 2 9 15 11 5 7 9 6 6 7 6 15 1 1 3 1 1 1 4 2 1 2 2 3 0 2 2 4 0 2 5 21 7 17 5 8 6 8 5 5 2 2 3 4 15 14 6 3 2 3 8 35 45 52 33 40 41 31 18 23 36 37 15 8 12 43 25 3 1 2 1 1 1 3 2 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 2 3 3 3 3 3 3 3 2 3 5 9 19 16 40 100 33 28 32 24 28 4 7 4 2 1 2 1 1 1 1 1 1 1 1 2 4 7 7 17 24 16 11 4 2 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 79 d 1H J 35 | 77 77 dt 1H J 9 20 | 76 76 dt 1H J 9 20 | 76 75 ddd 2H J 22 31 88 | 75 74 d 1H J 89 | 70 69 m 2H | 63 62 t 1H J 58 | 48 48 s 2H | 46 46 dd 2H J 8 58 | 37 37 s 3H | 37 36 d 2H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1 | ir: 0 1 0 0 0 0 0 1 0 0 0 1 1 1 2 2 2 1 1 1 1 2 2 2 3 1 4 9 5 12 60 7 4 2 1 2 2 4 3 9 3 1 1 1 1 0 0 1 1 2 1 1 0 0 1 5 2 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 0 1 1 1 1 2 6 1 5 2 1 1 1 1 4 10 3 1 1 1 1 1 2 0 0 0 1 1 2 6 5 18 9 3 0 6 5 2 1 2 0 1 0 0 0 1 1 3 1 1 1 1 2 4 3 0 1 1 0 1 1 0 0 0 1 2 0 0 1 4 5 1 0 0 0 0 0 1 3 1 2 2 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 1 0 1 4 1 4 4 5 5 2 21 100 43 3 2 1 6 57 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 22 | 79 79 dd 1H J 22 92 | 69 69 d 1H J 92 | 30 29 m 2H | 17 16 tt 2H J 73 82 | 15 14 dq 2H J 69 82 | 14 13 m 1H | 13 12 m 14H | 9 8 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC1Cc2ccccc2C1=O | ir: 2 14 6 10 0 5 0 9 1 2 2 1 1 2 3 4 2 1 5 14 8 2 2 4 3 4 17 6 4 2 2 2 2 13 17 6 3 27 44 10 10 2 46 56 3 6 3 3 5 10 9 24 8 10 2 1 2 3 2 2 4 3 7 5 5 3 2 4 3 5 6 2 3 9 5 2 2 2 2 2 3 4 6 3 6 3 3 14 26 6 11 3 3 20 12 13 5 7 8 12 4 3 5 9 18 13 6 3 5 2 3 3 6 6 3 17 27 17 26 25 15 20 33 28 3 10 7 4 3 2 5 3 1 14 29 80 54 68 19 6 5 1 1 3 5 12 13 33 14 18 25 15 3 1 17 7 3 2 16 24 3 1 2 3 2 0 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 1 3 5 6 3 12 11 7 13 18 9 10 20 40 33 31 56 100 16 12 3 2 2 2 2 1 2 3 2 2 3 2 2 2 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 77 dd 1H J 22 77 | 75 74 m 2H | 73 73 ddt 1H J 9 19 73 | 31 29 m 2H | 28 27 ddd 1H J 8 68 141 | 18 17 dqd 1H J 53 73 126 | 15 14 dqd 1H J 53 72 127 | 10 9 td 3H J 15 72 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)Nc1ccc(-c2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1 | ir: 5 3 2 3 2 1 2 1 1 2 4 3 3 4 20 12 6 1 5 3 0 7 20 21 24 4 21 16 7 11 9 23 22 22 30 30 8 7 2 3 2 1 1 1 1 1 1 3 1 3 4 8 8 15 22 8 13 12 7 2 2 3 2 2 4 4 9 9 6 22 19 6 5 4 4 3 3 4 4 6 14 20 6 3 1 2 0 1 3 4 7 11 9 5 4 5 7 3 9 7 7 4 3 4 25 7 10 6 12 8 10 7 8 4 4 3 2 5 2 2 1 3 5 4 1 5 3 5 4 3 2 3 6 5 2 1 2 3 3 1 6 5 6 41 40 57 31 8 14 100 54 41 17 20 22 13 2 2 2 1 2 11 6 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 2 1 1 0 2 3 2 1 1 1 3 4 3 6 11 8 13 77 19 8 29 39 5 5 2 2 2 1 1 1 1 1 1 1 2 2 6 4 17 30 27 62 46 64 37 8 4 2 1 1 1 0 0 0 1 1 1 1 2 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 d 1H J 71 | 90 90 s 1H | 79 78 d 1H J 25 | 78 77 dd 1H J 24 84 | 76 76 m 2H | 76 75 m 2H | 75 74 d 1H J 84 | 74 73 m 1H | 30 29 m 3H | 26 26 ddd 2H J 58 86 119 | 24 23 s 2H | 22 21 ddt 2H J 56 84 123 | 22 21 s 2H | 20 19 ddt 2H J 57 86 124 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(F)cc3)cnc3[nH]ccc23)CC1 | ir: 5 7 7 9 12 13 8 7 11 11 40 18 9 3 2 10 5 6 1 7 10 2 54 10 1 8 48 65 13 3 3 3 2 1 4 8 3 3 1 2 1 2 7 18 19 1 2 4 4 3 1 2 4 3 12 31 5 17 6 7 4 3 3 2 2 1 1 2 9 1 1 2 1 3 9 13 2 2 2 3 5 0 2 4 25 2 13 3 7 12 14 10 7 5 8 9 6 30 9 3 2 4 2 5 1 1 3 2 1 2 2 2 4 22 16 5 3 2 14 63 17 9 11 11 8 3 6 6 4 7 18 8 8 5 3 1 8 7 5 7 3 3 4 15 21 21 11 12 5 4 8 42 11 26 15 100 10 5 7 7 1 1 3 7 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 2 2 3 3 1 3 3 3 4 9 19 10 14 72 16 20 20 12 14 7 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 4 4 5 18 26 26 27 14 3 3 1 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 100 99 d 1H J 64 | 84 84 s 1H | 75 75 m 2H | 74 73 dd 1H J 53 64 | 73 72 m 2H | 68 68 d 1H J 53 | 37 36 m 5H | 34 34 m 4H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1cc(S(C)(=O)=O)ccc1OC(C)(C)C | ir: 9 6 4 7 4 2 21 9 5 20 5 2 3 3 0 2 2 1 1 2 5 4 2 2 1 0 0 1 7 1 2 2 2 0 1 1 7 7 2 100 2 8 3 3 1 0 1 2 1 0 3 4 1 1 3 32 10 9 3 2 3 13 2 2 2 8 19 4 4 1 1 2 1 0 1 3 1 1 3 6 3 2 4 14 33 13 53 1 1 1 3 2 1 5 5 9 3 1 2 3 10 3 2 3 17 14 19 2 1 2 5 6 1 2 2 1 1 3 6 7 17 18 7 3 4 22 4 3 5 9 7 2 1 1 1 1 0 1 2 1 2 1 4 2 2 4 10 18 7 13 9 1 2 2 1 2 1 2 1 1 1 2 3 2 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 2 3 2 0 1 2 1 0 1 2 1 3 10 18 22 21 25 31 19 3 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 82 d 1H J 22 | 79 79 dd 1H J 21 85 | 73 72 d 1H J 85 | 39 39 s 3H | 32 32 s 3H | 13 13 s 9H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@H](Nc1cc(C(N)=O)cc(Nc2cnccn2)n1)c1ccc(F)cc1 | ir: 2 1 2 3 3 2 8 7 4 4 3 5 9 14 9 30 12 4 7 8 13 7 5 5 2 6 8 2 4 4 4 4 3 5 12 19 100 22 55 26 8 3 3 3 3 0 1 7 1 1 1 2 1 1 10 8 2 0 2 3 1 0 2 4 7 43 4 21 7 14 3 10 6 3 2 4 6 2 3 1 3 3 6 2 1 1 1 2 1 2 2 1 2 1 2 2 5 3 2 1 1 1 1 3 5 2 5 2 2 1 3 12 3 1 2 1 4 2 3 3 5 5 3 3 2 3 3 3 2 3 3 8 4 21 5 1 1 3 4 28 4 3 2 0 4 23 59 81 31 6 3 2 9 4 5 1 15 43 63 7 8 15 4 6 5 6 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 4 9 20 15 4 3 1 1 3 1 1 1 1 1 1 2 1 1 2 6 7 2 2 2 3 6 9 15 97 26 6 6 12 61 4 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 84 84 d 1H J 14 | 83 83 dd 1H J 15 33 | 82 81 d 1H J 33 | 74 74 s 2H | 73 73 d 1H J 22 | 73 72 m 2H | 71 71 m 2H | 67 67 d 1H J 22 | 64 64 d 1H J 75 | 47 47 m 1H | 16 15 d 3H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(C)c2cc3ccccc3cc12 | ir: 1 5 1 2 1 1 1 2 1 1 2 28 3 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 5 11 6 2 1 1 1 1 1 1 2 17 11 2 2 1 0 1 2 1 1 1 2 2 1 18 9 4 4 4 3 6 2 1 4 8 3 1 1 1 1 1 1 3 2 2 2 2 1 1 1 1 1 1 1 3 3 5 5 5 7 0 2 2 3 2 9 22 15 5 2 0 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 3 2 2 1 1 4 3 3 2 4 6 6 4 3 2 2 10 7 2 14 3 4 1 1 1 7 4 7 5 11 2 8 9 6 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 2 2 1 1 1 1 1 1 1 2 2 2 2 2 10 12 100 77 65 17 5 1 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 2H J 24 | 80 79 m 2H | 76 75 dd 2H J 34 59 | 72 72 s 2H | 27 27 s 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cn1ccc(Nc2ncnc3ccc(Oc4c(CO)cccc4C(F)(F)F)cc23)n1 | ir: 4 4 3 2 1 3 3 2 2 2 4 2 2 2 11 4 2 3 10 13 3 4 5 3 11 12 15 10 6 8 8 6 2 2 1 1 0 1 1 1 2 8 28 1 1 2 19 9 5 12 12 19 5 10 7 23 100 21 16 3 1 2 2 2 2 1 1 0 2 2 0 0 1 1 4 1 2 3 3 6 8 3 6 7 12 13 15 44 19 9 4 8 9 9 6 8 4 3 13 37 49 4 2 2 3 5 13 9 2 5 5 2 4 1 0 8 15 4 2 1 0 1 1 1 2 3 3 3 2 1 1 1 3 0 0 1 3 9 24 4 3 3 68 1 1 2 3 14 30 5 8 22 4 6 2 26 12 4 5 8 10 2 4 1 1 1 9 10 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 3 5 4 6 30 24 18 11 5 3 2 2 11 3 1 1 1 0 0 0 1 1 1 2 1 4 3 10 34 21 35 13 9 3 2 3 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 80 79 m 2H | 77 76 d 1H J 28 | 76 75 dp 1H J 13 106 | 74 73 m 1H | 73 72 m 2H | 72 71 dd 1H J 77 108 | 62 62 d 1H J 31 | 47 47 dd 2H J 9 59 | 39 38 d 3H J 7 | 27 27 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CCC(Sc2nc3cccc4ncc2n43)CC1 | ir: 7 13 10 11 8 14 9 12 28 16 39 30 47 16 11 22 29 21 6 10 8 8 9 11 14 6 26 7 7 7 6 6 5 5 4 4 4 7 6 5 8 8 5 5 5 16 35 25 18 26 20 13 16 7 5 6 10 7 17 16 6 6 8 5 5 12 18 5 5 5 5 5 8 5 6 11 13 6 5 5 4 4 4 6 6 11 7 7 7 5 4 5 6 10 5 5 9 8 8 95 5 5 7 5 6 19 10 9 20 11 8 5 10 32 11 9 7 9 11 18 10 43 28 26 15 32 15 13 7 15 15 37 81 15 11 14 14 8 45 11 78 9 10 5 5 5 6 5 7 7 19 78 7 9 7 0 59 13 4 9 6 7 45 11 5 3 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 5 4 5 4 6 6 5 5 6 6 5 6 9 9 5 10 12 9 14 70 15 8 5 18 100 14 9 5 3 7 8 5 4 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 78 77 m 3H | 77 77 s 1H | 38 37 ddd 2H J 49 77 125 | 35 34 ddd 2H J 49 77 125 | 34 33 p 1H J 49 | 23 22 ddt 2H J 49 77 120 | 20 19 ddt 2H J 49 77 119 | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1cccc(CC(=O)O)c1OCCCc1cn(-c2ccc(C(F)(F)F)nn2)nc1C(C)C | ir: 5 4 7 2 5 3 7 7 5 9 12 12 8 26 11 14 11 16 52 28 24 41 57 46 28 19 12 5 1 5 2 2 1 3 3 5 4 5 11 7 2 7 5 4 36 13 9 1 9 9 6 11 10 8 66 12 5 3 2 3 1 1 2 4 4 12 39 15 8 7 5 8 8 6 7 10 46 48 50 17 21 7 6 5 4 5 7 4 14 6 21 31 15 5 4 5 8 11 22 21 12 5 5 7 12 12 4 12 15 16 4 3 4 3 7 9 8 9 0 7 15 11 9 8 7 6 6 7 9 3 8 4 2 6 4 9 23 16 21 24 100 36 31 63 26 36 29 9 8 9 32 7 1 2 2 11 4 10 2 2 9 3 1 2 1 1 1 0 1 1 1 0 1 1 0 1 1 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 0 2 1 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 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 1 0 1 0 1 0 1 1 1 1 1 3 2 2 1 2 4 5 3 2 4 3 3 4 4 14 24 20 23 25 62 17 6 30 14 5 7 9 45 37 34 3 4 2 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 d 1H J 108 | 78 78 dq 1H J 22 108 | 74 74 d 1H J 9 | 72 71 dq 1H J 9 81 | 71 71 dq 1H J 10 81 | 70 69 t 1H J 81 | 41 40 t 2H J 61 | 35 35 d 2H J 9 | 30 29 hept 1H J 64 | 28 27 td 2H J 9 90 | 27 26 qd 2H J 8 73 | 22 21 tt 2H J 62 90 | 13 13 d 6H J 64 | 12 12 t 3H J 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)NC(=O)C(C)(Br)CCCN | ir: 1 4 5 2 2 1 3 1 2 4 4 2 2 2 2 1 1 2 3 1 1 1 2 1 1 1 3 1 3 4 1 1 1 3 5 5 1 4 3 3 1 2 1 1 3 2 5 2 4 4 4 4 5 3 7 35 25 6 8 7 4 4 4 4 3 4 3 1 2 3 3 2 5 15 23 8 14 11 10 4 2 7 7 3 5 2 1 1 2 1 1 1 3 2 1 1 3 3 2 3 2 1 1 1 2 1 0 1 2 2 1 3 5 2 3 3 3 3 4 3 7 2 3 7 6 2 3 4 6 3 11 10 8 31 40 47 7 3 2 2 2 1 1 2 2 10 1 1 6 42 42 100 9 0 1 2 2 0 1 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 2 2 1 2 2 2 1 2 2 3 6 14 12 2 0 1 1 1 1 1 2 1 0 2 2 4 8 8 6 13 17 9 3 2 2 3 11 12 9 14 17 9 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 76 75 s 1H | 30 28 qt 2H J 49 61 | 22 21 dt 1H J 76 154 | 19 17 m 2H | 18 18 s 3H | 17 16 dtt 1H J 49 75 153 | 15 15 t 2H J 60 | 14 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1ccccc1O[C@@H]1CC[C@@H](NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1 | ir: 4 2 4 2 3 3 4 4 4 3 4 5 3 4 2 3 3 3 4 3 7 5 11 10 20 38 18 7 6 5 9 32 10 9 12 22 33 53 13 43 46 40 13 60 21 45 89 18 23 25 22 24 38 29 10 6 13 2 8 13 4 5 6 6 4 1 4 5 10 12 5 3 2 3 3 10 9 6 4 3 4 2 4 7 3 2 2 2 2 3 4 2 5 5 4 3 4 4 3 3 2 3 2 3 4 6 6 4 5 12 3 8 13 39 14 18 11 10 11 3 5 8 15 7 12 5 4 8 9 6 13 6 10 7 24 6 32 34 8 5 19 39 35 49 29 25 49 40 55 25 5 1 3 3 10 5 2 3 6 22 80 51 15 4 2 3 2 0 1 3 1 0 1 2 1 1 1 2 1 1 2 3 18 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 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 3 3 4 4 10 8 6 5 9 4 5 11 9 19 8 32 89 30 23 7 4 2 2 3 2 2 3 2 2 3 3 2 2 5 6 4 4 16 48 100 52 41 22 7 8 2 3 3 3 2 2 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1; 1HNMR: 81 80 dd 1H J 15 75 | 78 77 ddd 1H J 15 70 86 | 77 76 dd 1H J 14 65 | 76 76 dd 1H J 15 87 | 75 74 td 1H J 13 73 | 74 74 ddd 1H J 14 66 80 | 73 72 td 1H J 12 65 | 70 70 dd 1H J 12 82 | 58 57 d 1H J 88 | 44 44 tt 1H J 35 62 | 35 34 dtt 1H J 35 64 89 | 29 28 m 2H | 24 22 m 2H | 20 18 m 7H | 18 17 ddt 2H J 64 89 141 | 16 15 dddt 2H J 63 90 124 136 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NCCN1CCOCC1)C(=O)Nc1ccc(C(=O)C=Cc2cnc3ccccc3n2)cc1 | ir: 1 3 2 4 9 3 2 1 0 2 2 1 2 1 2 3 3 4 1 1 1 2 4 2 2 2 3 3 6 6 2 15 9 4 6 5 12 13 14 3 10 7 7 57 6 5 2 2 2 3 2 4 2 2 1 5 5 39 2 3 1 1 1 2 3 3 1 2 1 1 5 1 3 6 3 5 3 1 1 2 11 7 5 9 10 1 1 1 1 1 1 12 5 2 2 3 2 2 6 7 5 3 3 3 12 2 1 1 1 3 5 3 2 5 5 4 1 2 3 5 6 5 13 8 4 4 15 5 3 2 2 2 2 2 5 39 5 5 1 12 14 14 71 5 4 10 10 17 15 7 6 7 6 2 3 2 1 1 1 1 1 1 1 10 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 1 1 1 0 1 2 2 3 6 9 17 28 11 5 6 3 2 1 3 1 1 1 1 0 1 1 0 0 1 1 1 3 4 3 14 100 25 6 8 3 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 2H J 91 | 80 80 dt 1H J 9 84 | 80 79 m 3H | 79 78 m 2H | 77 76 m 3H | 76 75 td 1H J 21 82 | 73 72 t 1H J 46 | 37 37 m 4H | 34 34 td 2H J 47 55 | 27 26 t 2H J 55 | 25 25 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCOc1cccc(C2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C)nn2)c1 | ir: 3 4 3 3 7 10 5 11 15 12 41 13 13 8 3 3 4 6 18 2 3 6 1 3 2 6 2 5 3 4 3 3 3 25 4 3 2 6 7 9 2 7 29 28 24 0 6 12 9 3 4 15 74 91 10 4 10 3 6 2 3 3 2 2 4 7 10 10 24 9 8 8 3 3 2 2 2 3 3 13 6 5 2 11 3 2 8 5 2 4 9 17 39 25 12 6 3 13 17 9 7 4 2 2 4 8 12 3 2 2 3 4 4 3 3 3 4 5 4 5 5 4 3 4 2 7 4 5 4 2 4 3 2 28 20 39 7 3 2 2 10 15 2 7 3 3 20 100 7 17 31 68 9 5 3 6 5 2 8 3 2 6 3 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 2 1 1 2 1 1 2 2 2 2 2 1 2 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 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 3 3 6 7 10 10 22 46 25 6 5 7 5 7 5 36 15 2 2 3 2 2 2 2 2 1 2 2 1 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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; 1HNMR: 98 98 s 1H | 79 78 m 2H | 77 77 d 1H J 80 | 73 73 dd 1H J 76 84 | 73 72 m 4H | 69 69 m 2H | 59 59 d 1H J 8 | 40 39 t 2H J 54 | 24 24 d 3H J 7 | 23 23 d 3H J 9 | 19 18 qt 2H J 53 78 | 11 11 t 3H J 78 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCN3C(C)C)ccc1F | ir: 3 5 7 2 8 3 1 4 2 2 3 2 4 3 3 5 7 10 6 3 2 3 3 2 3 3 2 2 2 5 5 18 9 10 8 2 5 11 7 13 39 13 32 35 10 10 4 2 7 18 3 4 5 12 10 9 2 2 2 1 2 2 1 2 2 2 5 0 8 3 3 9 5 5 8 2 4 3 3 3 2 2 11 3 3 9 3 8 8 15 4 1 2 2 1 2 5 9 11 10 3 2 1 1 2 1 2 2 2 2 3 2 2 3 3 3 3 4 10 5 4 14 6 7 4 5 4 2 3 4 4 2 3 5 7 9 3 2 2 21 10 4 10 5 28 21 27 56 29 19 100 19 16 1 0 2 2 0 1 2 20 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 3 2 1 2 3 2 2 3 5 3 3 12 9 16 24 15 15 6 3 3 2 2 2 2 1 1 1 1 2 1 1 1 2 2 1 2 7 6 20 29 20 13 12 6 7 3 1 4 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 t 1H J 55 | 74 73 m 5H | 72 72 dddd 1H J 8 20 37 76 | 72 71 m 1H | 69 68 dd 1H J 80 102 | 53 52 s 2H | 45 45 dt 2H J 9 56 | 41 39 m 3H | 39 38 m 2H | 23 22 d 3H J 35 | 13 12 d 6H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(C(C)C)ncn1 | ir: 1 1 0 1 4 3 3 2 1 1 1 1 5 4 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 8 29 51 21 5 5 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 2 7 5 3 13 2 4 11 18 8 6 2 2 1 1 1 1 1 0 0 1 3 2 2 5 22 21 4 12 10 1 1 1 1 1 1 1 2 2 1 2 2 1 2 11 9 3 2 2 1 1 1 1 1 0 2 3 3 3 2 1 2 1 1 1 1 1 2 2 2 3 4 5 2 1 2 3 3 33 16 2 2 1 1 1 1 1 1 2 2 1 2 2 1 1 5 61 100 6 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 3 3 3 4 4 2 14 7 7 7 10 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 1H J 14 | 68 68 dd 1H J 9 16 | 32 31 pd 1H J 9 65 | 24 24 s 3H | 14 13 d 6H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2c(cc1OC)C(Oc1ccc(C(F)(F)F)cc1)CNCC2 | ir: 3 2 2 4 4 3 1 3 4 3 2 4 4 4 4 9 7 8 1 4 5 7 9 4 3 2 2 3 4 5 2 3 3 3 5 7 5 2 3 4 5 1 2 5 26 5 7 7 10 13 3 5 5 14 34 15 7 8 27 6 3 6 13 5 3 6 14 14 11 28 9 4 5 7 4 4 2 2 3 3 2 1 3 7 5 5 10 6 3 2 4 8 3 11 6 3 4 4 9 15 7 2 3 3 2 2 5 4 0 3 9 8 78 16 40 61 18 8 5 4 4 4 7 4 18 9 7 14 15 9 4 3 3 3 5 2 2 2 2 2 3 9 3 2 2 2 3 5 8 8 6 2 6 12 7 3 2 2 2 2 2 3 5 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 3 3 2 2 3 3 3 2 3 3 2 2 4 3 8 6 16 100 15 5 7 4 2 2 2 3 2 2 3 3 3 2 3 3 3 2 22 62 6 2 3 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 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 76 76 dq 2H J 14 77 | 72 71 m 2H | 69 69 d 1H J 7 | 66 66 t 1H J 8 | 53 52 m 1H | 39 39 m 1H | 39 38 s 6H | 34 33 ddd 1H J 42 59 134 | 32 31 ddd 1H J 40 57 132 | 31 28 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(C(=O)Nc2ccccc2)cc1NC(=S)Nc1cccc(C(=O)O)c1 | ir: 2 3 5 2 2 2 3 4 5 3 2 2 4 2 3 3 7 7 1 4 8 29 49 8 4 4 6 8 5 11 16 16 4 4 14 22 9 12 13 8 6 31 18 91 10 11 3 4 9 26 3 0 2 4 3 3 2 3 2 1 2 3 2 1 4 3 3 5 17 5 8 2 2 3 3 4 3 15 17 22 5 5 5 2 2 4 1 4 2 3 2 1 2 2 2 9 5 2 1 2 3 3 3 4 16 12 4 2 2 2 1 2 4 4 4 4 0 3 2 2 3 3 2 4 3 5 2 3 2 1 1 2 2 2 2 4 5 8 3 3 5 2 3 4 4 19 17 10 7 19 9 6 5 10 5 3 14 7 3 2 11 3 3 3 3 3 2 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 2 2 2 3 3 2 6 2 11 100 17 7 6 3 2 3 3 2 4 18 3 4 2 2 2 2 2 3 3 3 6 6 10 30 47 20 8 3 2 2 2 2 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 96 96 s 1H | 89 89 s 1H | 83 83 d 1H J 22 | 82 82 t 1H J 21 | 79 78 ddd 1H J 11 22 81 | 78 78 ddd 1H J 11 21 79 | 78 77 dd 1H J 21 87 | 77 77 m 2H | 75 74 t 1H J 80 | 73 73 m 2H | 72 71 tt 1H J 13 69 | 71 71 d 1H J 87 | 39 39 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=S)Sc1cccc(-c2ccccc2)c1 | ir: 1 1 2 1 1 1 1 1 0 1 2 1 2 1 1 0 0 1 1 2 1 1 1 0 0 1 1 1 2 12 22 17 1 2 1 1 1 2 3 2 9 100 6 4 2 4 3 19 9 1 1 1 1 1 1 0 1 1 1 0 1 3 2 1 1 2 6 6 4 13 3 2 8 15 2 1 2 5 14 1 1 1 1 0 2 5 43 10 3 1 1 1 1 1 1 1 1 1 8 1 1 1 1 4 4 2 7 3 3 1 1 1 2 1 2 2 2 6 6 6 4 2 1 1 2 5 3 3 2 3 1 3 2 2 1 55 3 3 7 23 12 2 9 35 6 3 5 2 3 5 3 7 2 7 3 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 0 1 1 1 2 1 1 1 2 2 2 2 1 2 2 1 5 12 12 10 22 97 36 11 4 3 5 6 4 1 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 t 1H J 21 | 76 76 m 2H | 75 74 m 5H | 74 73 m 1H | 47 46 q 2H J 66 | 14 14 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
[N-]=[N+]=NCCOc1ccc(Br)cc1C(F)(F)F | ir: 4 7 6 5 7 5 4 3 4 6 5 4 2 3 3 4 17 25 12 3 1 4 4 2 2 3 3 2 9 3 2 2 2 3 3 5 10 6 11 4 2 3 2 2 2 3 2 2 2 4 4 2 8 67 85 9 3 2 2 3 3 8 5 5 4 6 10 38 13 5 6 6 11 9 4 4 4 6 5 5 3 5 10 10 3 3 3 4 9 19 5 4 4 5 3 4 4 6 34 100 13 20 24 14 5 4 15 31 50 17 26 9 6 3 0 3 4 5 12 17 9 5 6 11 12 5 1 3 3 2 2 2 3 2 2 3 3 1 1 3 4 6 26 63 11 3 2 4 6 7 5 5 5 6 4 3 2 2 2 2 4 6 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 1 2 2 2 1 2 2 2 2 2 2 2 2 4 10 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 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 3 2 4 5 3 2 3 3 4 3 3 3 4 8 11 16 35 65 38 10 3 2 2 3 2 3 3 3 2 1 2 2 2 1 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 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; 1HNMR: 77 76 dq 1H J 9 19 | 75 74 dd 1H J 22 84 | 69 69 d 1H J 86 | 43 42 t 2H J 68 | 35 35 t 2H J 68 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nc(N2CCN(C(=O)OC(C)(C)C)C(C(N)=O)C2)c2cc(-c3ccc(Cl)cc3)c(Cl)cc2n1 | ir: 8 10 3 11 25 9 10 6 8 10 3 8 7 3 4 24 20 4 8 9 28 11 8 5 7 12 3 3 6 8 3 3 9 10 29 11 5 12 8 3 1 1 3 3 1 1 5 3 2 6 10 37 3 1 6 30 6 9 3 3 2 3 2 3 3 4 3 1 32 8 4 2 2 11 6 4 5 16 2 3 14 2 1 2 1 2 3 13 18 3 7 3 2 4 6 6 3 4 3 2 4 1 2 6 1 2 1 2 2 2 4 7 12 12 7 3 3 4 17 18 20 5 9 4 3 3 3 6 3 6 8 8 4 9 3 2 2 8 8 12 6 25 27 24 10 100 12 12 4 3 2 25 4 12 97 88 5 36 16 3 10 0 1 3 1 1 6 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 3 3 3 3 5 4 5 3 12 8 32 64 15 5 7 7 2 2 1 1 1 1 1 1 1 1 1 1 4 13 2 1 1 1 1 1 1 1 2 2 2 14 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 82 81 s 1H | 75 74 m 2H | 74 73 m 2H | 67 66 s 2H | 45 45 t 1H J 54 | 42 41 dd 1H J 54 129 | 40 39 m 4H | 38 37 ddd 1H J 48 73 120 | 37 36 ddd 1H J 49 70 118 | 25 25 s 3H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCCC(C)C[C@H](C)O | ir: 4 3 2 4 5 7 6 3 3 4 3 2 4 3 1 2 1 2 1 2 2 1 3 3 5 2 3 3 7 3 5 2 3 2 2 1 1 1 1 2 2 1 2 4 1 1 1 2 1 2 2 3 4 1 3 3 2 1 2 3 3 4 7 14 12 3 7 11 10 12 14 17 10 6 10 10 18 8 9 6 4 13 5 10 6 8 33 95 81 100 97 21 12 7 9 5 3 2 4 3 2 4 4 3 2 6 10 12 7 6 10 7 9 8 6 4 5 13 6 7 10 9 3 4 4 3 8 5 5 10 11 3 8 4 5 6 6 7 15 8 2 4 3 2 1 3 2 1 1 1 1 0 1 2 1 1 1 2 2 0 2 2 1 1 1 1 1 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 0 0 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 2 5 3 6 3 3 9 6 8 3 7 9 17 16 20 19 38 43 13 11 6 5 12 9 6 25 32 41 48 12 4 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 57 56 m 1H | 51 50 ddt 1H J 13 24 163 | 50 49 m 1H | 39 38 m 1H | 24 24 d 1H J 51 | 21 20 dtdt 1H J 15 70 85 113 | 20 19 dtdt 1H J 14 69 85 113 | 17 15 m 2H | 15 14 m 1H | 14 13 ddd 1H J 71 79 136 | 13 12 d 3H J 64 | 13 12 dddd 1H J 38 48 95 127 | 10 9 d 3H J 61 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(CNC(=O)C1CCCN1Cc1ccccc1)OC | ir: 3 2 1 3 2 15 10 9 4 3 1 2 3 1 4 8 2 5 4 3 4 1 2 3 7 10 9 8 7 12 5 16 15 13 14 26 37 50 24 10 46 61 24 6 9 10 4 4 1 1 2 3 3 8 4 3 4 1 3 20 3 2 3 7 4 2 9 12 7 2 6 15 9 5 4 5 13 11 8 50 4 7 9 33 13 4 5 11 5 31 3 3 3 3 1 2 7 10 4 8 2 3 3 7 8 17 5 3 3 4 2 4 1 3 1 9 8 14 7 7 10 14 17 17 4 15 28 7 10 4 13 14 2 3 5 36 1 3 3 2 2 6 10 46 20 53 54 58 11 6 2 4 2 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 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 2 1 2 2 2 2 4 4 4 4 3 4 4 6 4 14 17 9 21 100 16 14 2 2 2 2 1 2 2 1 1 1 2 1 1 2 2 2 5 5 16 14 17 13 71 35 23 17 6 5 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 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: 73 72 m 2H | 73 73 s 3H | 70 70 t 1H J 66 | 45 45 ddq 1H J 16 38 53 | 38 38 d 1H J 127 | 38 37 t 1H J 43 | 37 36 d 1H J 127 | 36 34 dqt 2H J 34 66 99 | 34 34 d 6H J 15 | 30 29 m 1H | 29 28 m 1H | 21 21 dddd 1H J 43 55 67 124 | 20 18 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC1CN(C(=O)C(C)C)C(c2cccc(C(F)(F)F)c2)O1 | ir: 14 6 0 7 13 8 5 10 12 7 2 9 13 5 5 8 15 7 2 9 11 4 4 12 11 7 5 11 12 6 8 16 32 12 27 23 15 8 8 15 12 21 18 23 13 7 44 51 20 9 9 12 8 3 7 12 6 3 7 12 8 4 13 20 11 8 21 36 23 13 9 11 10 14 11 21 10 4 20 17 6 13 21 13 5 4 8 9 9 15 49 25 17 18 22 10 3 9 41 30 8 12 23 19 17 13 16 14 3 10 17 28 38 51 18 13 6 10 13 19 13 22 21 24 20 21 13 15 28 28 16 7 7 14 15 21 46 16 10 8 18 30 17 8 8 7 59 100 5 12 10 2 5 13 9 6 5 11 7 1 5 10 7 1 5 11 6 1 5 11 6 0 6 11 6 1 6 10 5 1 6 10 5 2 7 9 4 2 7 9 4 2 8 9 4 3 8 8 3 3 8 8 3 3 8 8 3 4 9 7 2 4 9 7 2 4 9 7 2 5 9 6 1 5 10 6 1 5 10 5 1 6 10 5 2 6 9 5 2 6 9 5 2 7 9 4 3 7 9 4 3 7 8 4 3 8 8 3 4 8 8 4 4 8 7 3 4 8 7 3 8 9 8 4 6 11 8 4 7 12 12 15 15 16 35 15 24 41 52 10 9 12 7 3 7 10 6 2 7 9 5 3 7 9 4 3 7 8 4 3 8 8 4 3 8 8 3 4 8 7 3 4 8 7 3 4 8 7 3 5 9 6 2 5 9 6 2 5 9 6 2 5 9 5 2 6 9 5 2 6 9 5 2 6 8 5 3 6 8 4 3 7 8 4 3 7 8 4 4 7 7 4 4 7 7 3 4 8 7 3 4 8 7 3 5 8 6 3 5 8 6 3 5 9 6 2 5 9 6 2; 1HNMR: 77 76 m 1H | 76 75 m 1H | 75 75 m 1H | 75 74 dd 1H J 78 101 | 61 61 d 1H J 7 | 40 39 ttt 1H J 16 31 61 | 38 37 dd 1H J 32 116 | 35 34 dd 1H J 32 116 | 28 26 hept 1H J 71 | 18 16 dqd 1H J 41 75 130 | 15 14 dqd 1H J 40 75 130 | 11 10 dd 6H J 71 111 | 10 9 td 3H J 15 76 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1CCc2cc(C(=O)CCN3CCC(c4ccccc4)CC3)ccc2N1 | ir: 2 1 6 2 2 2 6 3 0 2 2 3 7 3 2 3 2 1 4 3 0 2 2 7 1 1 7 4 6 9 27 7 9 2 3 8 27 13 19 4 28 6 4 4 11 8 5 5 2 1 4 2 2 2 18 14 1 2 1 1 1 3 3 2 4 4 2 4 1 4 2 4 9 4 3 1 1 2 3 5 15 1 2 1 1 2 19 3 6 1 2 3 12 1 2 1 2 2 17 5 3 4 5 2 2 3 3 3 3 3 2 1 3 3 6 4 3 2 5 3 2 2 2 2 3 4 6 2 4 5 12 5 6 7 7 9 6 6 25 6 9 16 10 8 12 6 7 1 2 3 16 7 17 3 2 36 48 10 4 2 1 1 1 9 7 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 2 2 3 2 2 1 3 2 3 2 5 12 6 28 100 10 6 3 2 1 1 2 1 1 1 1 0 1 0 1 1 1 1 2 3 3 3 10 14 30 5 2 3 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 s 1H | 79 78 dd 1H J 20 88 | 78 77 dt 1H J 9 20 | 73 73 ddt 2H J 9 69 78 | 73 72 m 3H | 70 70 d 1H J 88 | 32 31 t 2H J 63 | 30 29 m 1H | 30 29 m 3H | 29 28 t 2H J 63 | 28 27 m 3H | 26 25 ddd 2H J 55 82 115 | 21 20 ddt 2H J 55 82 128 | 18 17 ddt 2H J 54 82 128 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2cc(-c3ccccc3)[nH]c2cc1Cl | ir: 2 10 20 8 1 4 3 4 4 4 2 2 2 3 3 1 1 2 2 1 1 1 2 3 3 5 2 9 6 44 22 31 7 8 25 6 4 4 4 2 3 58 7 7 3 5 3 6 4 2 2 0 1 2 1 0 1 2 1 0 2 3 5 1 3 3 13 68 23 4 3 2 2 2 2 4 60 5 5 1 5 2 1 1 2 2 0 0 2 1 0 0 2 2 4 3 10 1 1 4 3 2 6 20 55 5 1 4 3 2 1 6 6 2 0 3 3 5 2 3 2 1 0 1 2 1 0 2 3 1 1 2 2 1 2 3 8 3 2 13 4 12 32 4 13 2 2 3 4 5 8 2 5 4 1 5 65 2 1 1 1 1 2 6 5 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 6 6 28 100 20 36 3 1 3 4 1 0 2 2 1 1 2 3 1 1 2 3 1 2 3 3 2 4 5 23 28 24 5 3 1 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 s 1H | 79 78 m 2H | 74 74 m 1H | 74 74 s 1H | 73 73 m 3H | 72 72 d 1H J 22 | 39 39 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(O)CN1CCC(COc2ccc(Br)cc2F)CC1 | ir: 6 19 2 2 4 4 3 2 1 4 6 2 1 3 8 7 4 7 1 3 0 1 1 3 2 1 2 2 8 1 0 0 0 1 1 1 1 1 1 2 3 3 1 0 1 2 1 0 0 3 4 0 3 12 100 21 4 0 7 17 5 3 4 4 6 11 7 30 3 2 4 12 3 5 8 6 9 43 60 56 35 16 14 57 37 28 12 9 12 3 5 4 14 4 6 5 8 19 29 11 14 10 6 14 19 31 8 11 13 3 2 3 3 2 2 9 3 3 2 3 7 12 3 2 1 3 4 8 6 6 19 4 2 2 2 2 1 1 1 1 2 4 9 1 1 1 1 1 7 14 2 7 8 1 1 1 1 0 0 0 1 0 0 0 0 0 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 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 0 1 1 2 2 2 1 3 2 2 4 3 5 6 8 4 6 13 17 13 40 96 4 4 1 1 3 6 21 4 1 1 0 1 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 69 68 m 1H | 40 40 d 2H J 49 | 29 29 ddd 2H J 51 77 119 | 29 28 ddd 2H J 50 77 119 | 27 27 d 2H J 139 | 22 21 m 1H | 20 19 dddd 2H J 50 60 77 126 | 17 16 dddd 2H J 50 59 77 126 | 13 12 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1ccc(OC2CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1 | ir: 2 1 2 2 0 1 3 4 2 3 2 2 7 9 21 10 8 9 10 12 20 29 67 12 4 5 4 7 8 17 8 8 6 6 4 4 3 5 5 3 4 3 1 1 2 5 2 1 2 3 5 10 16 45 27 8 9 11 9 7 4 5 2 3 1 5 4 6 4 10 2 2 8 9 16 13 5 3 8 20 6 3 1 1 1 1 3 2 9 5 5 3 2 1 1 1 2 2 2 2 2 3 2 2 1 3 3 4 4 5 6 5 5 6 17 26 3 5 23 4 7 6 2 5 3 8 7 8 4 2 2 1 3 5 3 3 4 6 13 2 4 6 9 20 6 19 5 5 8 100 22 17 52 70 14 1 1 2 1 0 1 1 2 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 3 4 3 1 1 3 2 2 6 17 16 12 38 9 5 3 2 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 2 15 58 33 23 40 9 4 3 3 1 1 1 1 1 1 1 1 1 0 0 1 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 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 70 69 m 2H | 66 65 d 1H J 70 | 45 44 p 1H J 43 | 41 41 dp 1H J 53 70 | 41 40 ddd 2H J 66 92 156 | 38 37 m 6H | 34 33 ddd 2H J 28 55 117 | 31 30 m 2H | 24 23 dddd 2H J 43 66 93 130 | 22 20 m 4H | 18 17 dtd 2H J 28 54 139 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(c1ccc(C(F)(F)F)c(-n2c(=O)[nH]c3ccccc3c2=O)c1)N1CCCc2ccccc21 | ir: 7 7 7 5 7 9 5 5 6 4 5 15 6 9 6 9 5 5 8 8 16 7 21 16 11 6 10 6 6 8 4 9 13 8 8 6 7 12 14 12 13 15 45 100 18 12 9 6 8 10 36 20 14 12 84 37 7 0 5 10 13 3 5 5 5 6 8 14 10 6 6 5 5 7 15 7 4 5 16 5 4 6 9 8 5 4 7 7 8 8 8 6 5 5 6 25 10 12 18 18 45 11 28 12 7 6 18 12 3 9 8 7 5 4 6 6 5 6 14 13 9 13 17 8 8 7 12 4 6 8 8 9 17 43 15 6 3 17 20 18 6 10 9 25 16 9 8 26 11 8 15 15 10 5 71 38 11 10 56 10 8 15 37 27 9 7 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 4 4 4 3 4 4 3 3 4 5 3 3 4 5 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 5 4 4 6 5 4 5 5 5 5 5 10 17 9 50 77 54 40 10 8 6 3 5 5 4 3 4 5 4 3 4 5 6 5 8 13 8 11 18 24 50 41 13 8 7 7 5 4 5 4 4 4 3 4 4 4 3 4 4 4 3 3 4 4 3 4 4 4 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 3 3; 1HNMR: 81 81 m 2H | 79 78 dq 1H J 25 117 | 77 76 dd 1H J 21 116 | 75 75 td 1H J 17 80 | 74 73 m 1H | 73 72 td 1H J 17 76 | 72 71 dd 1H J 14 79 | 71 71 dd 1H J 14 74 | 71 70 ddt 1H J 9 17 80 | 66 65 td 1H J 15 79 | 40 39 ddd 1H J 41 60 123 | 39 38 ddd 1H J 42 60 123 | 28 27 td 2H J 8 72 | 21 20 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cccc(C(=O)Cl)c1-c1ccccc1 | ir: 2 2 2 2 2 2 1 2 2 9 1 20 4 2 3 8 2 2 2 3 2 2 2 4 6 17 2 3 2 2 3 16 11 3 4 3 2 19 44 10 19 34 9 4 2 2 7 44 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 5 7 10 4 3 3 2 18 0 4 3 6 2 2 6 3 2 2 2 2 2 2 2 2 2 1 17 2 2 2 2 2 2 2 2 5 3 8 2 2 2 3 2 5 7 14 7 2 3 2 2 3 3 1 2 2 2 2 2 2 2 6 5 7 31 7 4 12 5 3 23 23 7 10 6 4 17 5 4 6 12 2 3 7 3 2 2 2 5 3 5 2 1 3 2 2 2 2 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 2 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 3 3 3 4 5 11 30 23 100 26 10 5 3 4 2 2 3 4 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 78 dd 1H J 15 71 | 75 75 m 2H | 75 73 m 5H | 26 25 d 2H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC1CCCCN1CCNC(=S)NC | ir: 1 1 2 2 1 6 2 3 4 6 4 1 0 2 5 2 4 4 2 1 1 2 3 8 10 5 13 4 3 4 5 13 16 100 35 19 6 6 2 2 2 2 2 1 2 2 1 1 1 2 3 1 1 1 1 1 3 4 1 2 1 2 5 1 1 3 3 2 3 3 2 2 2 10 3 1 2 1 3 2 9 33 5 3 2 1 1 2 2 5 2 1 3 3 5 3 5 2 2 3 3 4 5 4 3 2 2 2 3 2 2 4 3 5 3 2 3 3 2 4 3 4 8 14 9 5 2 5 3 3 5 2 3 6 5 19 7 9 3 6 5 2 13 5 11 5 40 38 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 5 2 2 2 2 1 1 2 4 4 7 3 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 2 1 3 2 2 1 4 5 11 72 47 6 9 8 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 69 69 t 1H J 39 | 64 63 q 1H J 46 | 36 35 m 2H | 30 29 d 3H J 46 | 29 29 dt 1H J 59 126 | 28 27 m 2H | 27 25 m 2H | 18 17 ddt 1H J 58 81 121 | 16 15 m 5H | 14 13 m 2H | 9 8 td 3H J 15 77 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1cccc2c1c1c(O)cccc1n2Cc1cccc(F)c1F | ir: 4 2 2 1 3 3 2 8 10 7 4 4 2 4 6 4 4 3 4 6 19 12 10 16 4 48 19 28 44 12 4 9 7 2 3 5 8 4 4 2 3 2 2 4 4 2 37 54 21 7 5 1 2 2 1 2 2 2 1 0 1 1 1 1 2 2 1 2 1 2 2 8 2 1 1 5 2 2 1 2 5 13 3 4 2 2 2 2 2 7 4 2 3 9 20 7 11 29 3 10 8 19 10 16 8 2 1 2 3 6 0 2 4 5 48 2 0 1 6 3 4 4 3 44 3 2 3 4 5 3 2 13 2 3 3 9 4 6 19 28 19 12 3 5 26 14 5 6 3 4 2 2 2 1 1 2 9 7 4 13 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 3 5 5 15 16 29 100 20 82 52 25 9 7 4 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 s 1H | 79 78 ddd 2H J 12 70 139 | 75 75 dd 1H J 13 64 | 72 71 m 4H | 71 70 m 1H | 67 67 dd 1H J 13 79 | 57 56 dd 2H J 7 44 | 39 39 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)CN=C(c2cnc3ccccc3c2)c2ccccc2O1 | ir: 3 3 8 3 4 3 4 3 3 5 4 3 4 4 3 3 12 4 5 4 3 3 3 3 3 5 4 16 3 3 3 3 4 3 3 3 3 2 9 4 5 0 49 100 5 8 8 53 7 7 4 1 3 4 3 2 4 4 3 4 26 6 4 3 3 4 3 4 16 5 5 3 4 5 5 4 4 3 3 3 3 3 3 4 7 3 3 4 8 6 13 4 4 6 8 3 4 3 10 3 4 4 3 4 4 5 6 5 13 3 3 3 3 3 3 3 3 3 7 5 6 4 4 20 7 4 13 12 5 11 8 4 4 3 3 6 12 11 3 4 5 3 19 5 14 7 9 18 8 10 3 3 5 29 4 4 9 3 22 5 12 5 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 5 7 12 8 11 49 28 15 5 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 88 88 d 1H J 16 | 84 83 dd 1H J 16 23 | 81 81 m 1H | 80 80 m 1H | 78 78 dd 1H J 17 71 | 78 77 td 1H J 12 76 | 77 76 m 1H | 74 73 td 1H J 16 75 | 73 73 td 1H J 13 74 | 71 70 dd 1H J 13 71 | 38 38 s 2H | 15 15 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C=C1NCCc2cc(OC)c(OC)cc21 | ir: 7 4 1 3 3 5 3 3 0 3 3 3 4 15 35 36 16 2 1 2 5 3 3 6 20 27 13 8 3 4 6 10 11 15 1 22 10 1 4 3 2 3 2 2 2 1 1 1 1 1 2 3 1 1 1 1 2 3 4 0 3 3 1 3 21 4 3 1 79 20 6 4 7 7 5 21 11 10 20 1 1 1 1 1 1 1 1 2 2 12 2 4 1 1 0 0 2 1 1 0 1 1 0 1 2 1 0 1 1 1 8 6 2 2 14 3 3 9 41 12 13 26 6 4 16 5 2 4 8 2 3 17 1 1 1 1 2 11 100 5 8 67 2 2 3 8 33 3 2 16 9 1 3 13 10 3 1 0 1 2 2 0 36 4 1 3 29 4 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 0 1 1 1 1 0 0 0 1 1 1 1 3 1 1 1 1 2 3 2 1 1 1 3 7 16 8 4 23 27 16 7 1 0 1 1 0 0 1 1 0 0 1 2 1 1 1 3 2 11 23 19 28 12 31 56 36 41 9 10 5 4 1 2 1 1 1 1 1 0 0 1 1 1 0 0 1 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 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 1; 1HNMR: 70 70 s 1H | 67 67 t 1H J 9 | 64 64 t 1H J 41 | 57 57 s 1H | 42 41 q 2H J 61 | 39 38 d 6H J 57 | 36 35 q 2H J 43 | 30 29 tdd 2H J 8 20 42 | 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. |
CC1(C)c2ccc(CCN3CCN(c4noc5ccccc45)CC3)cc2C(C)(C)C1NS(C)(=O)=O | ir: 4 3 3 23 3 7 3 2 2 2 3 10 4 3 3 4 10 9 5 3 3 4 1 2 1 1 2 1 1 12 8 7 6 5 4 2 8 9 4 2 4 20 21 31 10 4 8 4 2 3 3 7 7 3 3 3 7 1 4 16 4 3 2 3 1 4 3 4 7 5 10 52 8 8 3 4 3 2 2 2 4 12 17 12 6 3 4 4 70 5 3 3 3 5 2 4 2 2 14 12 5 24 4 26 11 40 100 30 18 9 2 4 5 16 0 3 3 3 2 9 7 7 6 5 8 5 1 3 8 8 4 6 9 7 4 3 1 3 2 3 11 2 6 2 4 6 4 2 1 2 8 6 1 1 1 0 0 1 1 1 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 1 1 1 0 0 0 0 1 0 1 0 1 0 3 4 1 1 0 2 1 1 1 2 1 1 3 5 15 14 15 8 40 19 5 2 1 0 1 1 1 1 0 0 1 0 0 1 2 0 0 2 8 5 47 15 7 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 15 106 | 76 75 dd 1H J 15 77 | 74 74 ddd 1H J 13 76 90 | 73 72 ddd 1H J 14 88 102 | 71 70 dt 1H J 9 20 | 70 69 ddt 1H J 9 21 71 | 69 68 d 1H J 72 | 42 41 d 1H J 108 | 41 41 dtt 1H J 15 29 108 | 36 35 m 4H | 31 30 s 2H | 29 28 m 4H | 28 28 m 2H | 27 26 t 2H J 59 | 14 13 d 3H J 15 | 13 13 dd 6H J 15 49 | 13 13 d 3H J 15 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCC(C(=O)O)CC3 | ir: 2 4 2 1 1 1 1 2 12 5 4 3 8 6 2 4 3 3 9 7 8 15 100 15 5 9 5 2 8 1 2 2 3 0 3 3 1 2 1 2 1 0 2 3 2 2 2 2 4 8 17 7 4 6 9 3 3 1 1 3 1 1 1 4 3 1 2 3 2 3 4 1 1 2 2 2 4 3 10 49 7 2 2 1 1 1 1 3 4 1 1 1 1 2 1 1 3 3 2 2 0 1 4 3 2 3 2 6 11 11 1 3 9 16 26 10 6 6 4 7 3 4 2 2 1 2 4 7 2 2 2 1 2 2 2 6 3 2 1 1 2 4 7 8 3 12 11 3 1 1 1 0 9 2 1 0 1 2 4 38 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 2 1 1 1 4 6 3 2 3 3 4 5 5 23 10 5 2 1 1 0 1 1 1 1 1 3 8 51 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 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 0 0 0 1 0 0; 1HNMR: 97 97 t 1H J 9 | 41 40 m 1H | 40 39 ddd 1H J 88 95 119 | 33 32 m 1H | 31 30 m 3H | 30 29 t 2H J 57 | 29 28 ddd 2H J 9 46 64 | 25 24 p 1H J 72 | 22 21 m 2H | 20 18 m 2H | 17 16 qt 2H J 56 70 | 10 10 t 3H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Fc1ccc(CCCCCCCCBr)cc1 | ir: 2 1 0 1 2 1 3 4 4 4 1 1 4 3 2 3 3 16 1 1 1 1 0 1 2 0 1 1 2 1 1 1 1 1 4 4 4 1 5 13 5 5 3 3 1 1 4 5 5 2 3 3 5 7 17 48 36 14 9 3 2 0 1 2 2 1 2 2 5 6 2 1 1 0 1 1 0 1 1 1 0 0 1 1 1 6 12 3 1 0 2 2 1 1 3 5 2 14 7 3 2 12 2 4 1 5 10 5 8 6 7 5 2 7 6 4 7 4 9 10 6 4 4 7 3 4 3 1 1 2 2 1 1 1 1 0 0 1 1 1 1 1 3 1 1 3 9 27 15 5 3 2 10 1 1 1 1 3 1 1 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 9 13 6 5 3 6 2 3 3 14 29 18 39 100 24 4 4 4 6 1 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 ddt 2H J 9 35 79 | 71 70 ddt 2H J 16 84 97 | 34 34 t 2H J 47 | 27 26 tt 2H J 9 80 | 18 17 tt 2H J 48 76 | 17 16 m 2H | 15 14 p 2H J 72 | 14 12 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNCC1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CC1 | ir: 1 3 5 4 2 1 1 2 2 4 2 4 1 3 1 2 2 8 11 4 2 3 3 1 1 1 2 4 2 7 12 16 100 13 8 6 5 3 4 6 4 9 55 19 16 11 9 2 4 2 2 0 5 13 3 8 29 10 6 20 7 3 1 2 3 6 11 19 8 8 2 1 2 4 8 4 2 1 3 6 1 1 1 1 2 6 4 3 2 2 1 1 1 2 4 3 6 6 3 1 4 3 23 5 11 45 7 3 4 2 3 7 13 15 22 8 16 8 5 4 5 7 6 6 29 18 15 10 7 6 5 6 2 6 10 14 5 3 1 4 8 2 32 3 2 4 16 54 17 22 2 3 22 1 1 1 2 0 0 1 1 0 3 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 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 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 3 2 1 5 3 3 4 4 9 3 8 30 32 6 2 3 2 2 1 1 2 2 1 1 1 2 1 1 2 5 10 24 10 7 6 5 32 6 59 9 0 0 2 2 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 90 s 1H | 84 84 d 1H J 90 | 76 76 d 1H J 21 | 75 75 d 1H J 24 | 73 72 ddt 2H J 9 35 79 | 71 70 m 2H | 47 46 dt 1H J 71 90 | 36 36 ddd 2H J 60 86 121 | 35 34 ddd 2H J 59 86 121 | 31 30 ddt 1H J 9 71 141 | 28 28 ddt 1H J 9 70 140 | 26 25 dd 2H J 44 56 | 24 24 d 3H J 53 | 22 22 hept 1H J 52 | 19 18 dddd 2H J 51 59 86 136 | 17 16 dddd 2H J 51 59 86 135 | 15 14 dqd 1H J 44 51 95 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(OC(C)(C)C)c1sc2ccc3ncccc3c2c1Br | ir: 2 8 7 5 3 4 5 9 12 5 7 4 2 17 10 8 6 5 7 11 4 2 2 1 1 2 1 3 11 3 7 7 5 4 4 12 3 7 13 82 9 1 2 2 2 2 4 2 2 1 6 5 5 11 5 45 12 6 5 4 5 7 9 3 5 4 4 1 2 3 1 1 3 4 4 13 10 16 7 3 3 3 3 10 27 12 4 3 1 5 7 19 13 2 3 3 11 9 12 9 5 4 11 6 3 17 8 3 5 10 2 3 2 1 0 2 5 5 5 11 14 14 7 5 17 11 3 6 15 22 4 7 4 2 1 1 1 7 5 9 11 3 2 19 68 79 100 16 8 2 5 20 8 2 2 8 42 19 4 3 2 1 1 2 1 12 3 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 3 3 3 2 3 1 1 1 3 3 3 3 5 10 4 25 33 21 53 59 9 11 8 14 8 8 3 3 2 1 2 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 88 dd 1H J 21 41 | 84 84 dd 1H J 21 76 | 83 82 d 1H J 70 | 82 82 d 1H J 71 | 75 75 dd 1H J 41 76 | 54 54 s 1H | 38 38 s 3H | 12 12 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](N)C(C)(C)C | ir: 3 2 2 2 0 1 2 1 1 2 10 5 2 1 1 1 1 5 3 1 1 0 0 1 0 1 1 1 1 1 2 6 5 1 1 1 1 1 0 5 3 4 1 1 1 1 1 1 1 0 0 0 0 0 0 1 2 1 0 2 3 3 8 3 4 8 6 5 4 10 5 2 1 2 2 2 7 8 2 1 1 2 17 7 1 3 2 1 0 0 1 1 1 1 2 2 2 2 3 8 2 6 3 3 1 6 2 2 2 2 5 3 6 4 0 1 4 3 2 4 3 8 5 2 2 5 4 4 3 20 15 15 9 2 3 7 2 2 8 3 1 1 1 1 1 1 6 10 1 1 2 15 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 2 5 1 1 3 2 3 4 5 12 7 2 1 0 1 0 0 0 1 0 0 1 1 1 1 4 4 10 6 7 6 3 2 2 100 6 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 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; 1HNMR: 45 45 qd 1H J 12 24 | 42 41 dtd 1H J 17 26 35 | 40 40 d 2H J 75 | 39 38 ddd 2H J 13 106 186 | 37 37 dd 1H J 31 106 | 37 36 dd 1H J 35 104 | 36 35 dddq 1H J 15 29 60 90 | 22 22 m 1H | 20 19 m 1H | 15 14 s 8H | 10 10 d 10H J 16 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)Cc1csc(NC(=O)c2cccn2Cc2ccc(F)cc2)n1 | ir: 3 2 2 2 2 3 1 2 3 2 1 9 4 3 2 1 2 5 2 4 6 9 8 5 24 5 4 7 5 3 2 3 5 2 2 3 21 20 3 9 19 6 100 1 7 22 7 2 4 15 3 7 4 1 8 14 47 28 4 1 2 4 3 8 4 7 2 22 2 3 1 1 2 5 7 5 2 2 1 1 3 2 1 1 1 4 5 4 4 3 3 6 7 6 5 4 11 17 13 6 6 3 2 2 2 3 4 12 6 1 1 1 2 2 2 1 3 3 5 6 6 12 6 5 12 3 4 3 4 2 2 1 1 1 2 9 8 3 2 1 9 24 12 9 70 79 21 8 33 43 12 5 18 3 2 3 1 1 1 3 4 6 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 4 5 2 2 3 2 7 8 18 13 73 45 27 23 30 19 10 3 3 2 2 2 1 1 1 1 1 1 1 2 2 1 2 4 6 29 86 9 3 3 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 ddt 1H J 9 18 49 | 73 72 dd 1H J 17 71 | 72 72 ddt 2H J 10 34 75 | 71 70 m 2H | 69 69 t 1H J 9 | 64 64 dd 1H J 48 70 | 55 55 q 2H J 9 | 42 41 q 2H J 66 | 37 36 d 2H J 10 | 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. |
C=CCNc1cc(NCc2ccccc2OC)nc2ccc(Cl)cc12 | ir: 13 10 19 33 37 46 3 9 3 8 9 4 5 3 4 10 13 4 4 4 2 2 2 2 11 9 6 7 3 2 4 2 1 2 2 2 3 1 1 3 6 33 27 22 4 1 3 3 4 1 1 2 1 2 3 16 16 16 3 2 2 3 3 7 7 19 14 13 8 4 5 5 5 4 4 4 2 3 1 4 2 2 2 1 2 2 3 1 2 4 3 3 1 12 13 2 2 1 1 1 1 2 3 12 8 2 1 1 3 6 3 3 8 13 5 6 5 4 3 4 5 4 4 5 5 3 3 2 1 2 4 5 4 3 4 6 14 84 27 12 8 11 21 9 38 36 11 8 11 18 13 29 5 0 2 2 2 0 2 9 3 3 47 17 5 8 46 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 2 1 1 4 6 4 2 5 16 22 56 43 10 5 1 2 3 3 2 2 3 2 1 2 3 3 1 4 3 2 0 6 8 14 61 100 43 10 5 2 2 3 2 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1; 1HNMR: 80 79 d 1H J 27 | 78 78 d 1H J 82 | 77 76 dd 1H J 26 82 | 74 73 ddt 1H J 9 18 80 | 73 73 t 1H J 53 | 72 72 td 1H J 17 76 | 72 71 t 1H J 54 | 70 69 dd 1H J 10 75 | 69 69 td 1H J 9 77 | 60 60 s 1H | 59 58 ddt 1H J 49 100 170 | 53 53 m 1H | 53 52 dq 1H J 11 170 | 47 46 dd 2H J 9 55 | 41 41 tt 2H J 14 52 | 38 38 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)CCc1nn[nH]n1 | ir: 5 5 5 10 6 7 30 12 3 3 7 7 10 9 7 6 3 2 2 2 4 2 1 1 1 2 3 2 2 0 1 1 1 1 2 5 1 1 0 1 1 1 1 3 2 2 12 63 100 96 21 8 5 3 2 1 2 3 3 1 3 8 7 2 1 3 2 4 1 2 0 0 1 1 0 2 1 1 0 0 0 1 0 0 1 2 2 10 2 1 3 2 2 1 2 2 2 6 8 20 29 17 4 4 5 3 1 6 30 41 4 3 2 1 5 7 2 21 7 6 9 14 7 5 6 3 1 2 2 5 9 3 4 3 2 5 11 7 7 19 17 9 3 30 54 8 3 1 2 1 1 4 2 45 58 3 2 1 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 2 2 2 5 4 3 2 1 2 2 6 15 20 7 1 0 1 1 0 0 0 1 0 0 1 2 4 1 1 1 0 0 1 1 4 4 1 1 0 0 5 3 28 24 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 97 96 s 1H | 37 36 s 2H | 33 32 m 2H | 32 31 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)CC(c2cccc(NS(=O)(=O)c3cccnc3)c2)Nc2ccc(C(F)(F)F)cc21 | ir: 16 23 9 28 30 11 29 12 14 4 4 13 7 17 15 17 8 9 10 10 8 5 9 13 8 7 6 6 5 6 9 17 17 100 21 3 6 14 7 6 8 2 4 2 1 3 4 14 10 5 10 13 7 39 39 13 2 1 5 3 8 4 10 20 10 4 10 34 9 6 8 6 3 1 2 3 11 11 7 7 9 1 3 4 8 32 58 16 10 2 17 8 9 3 3 2 1 5 30 32 11 17 13 23 33 24 4 4 2 2 2 5 10 29 14 24 7 4 8 5 25 23 18 14 19 10 6 10 14 6 16 9 16 7 7 4 5 4 8 40 24 9 14 1 0 8 42 8 3 1 1 5 28 53 9 34 26 42 24 8 2 2 10 6 4 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 0 0 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 2 3 4 6 16 16 25 34 47 31 9 2 2 1 4 1 2 2 2 1 2 1 3 3 1 1 2 4 6 8 26 63 78 30 63 23 11 7 3 1 2 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 t 1H J 16 | 87 87 ddd 1H J 14 21 38 | 85 84 s 1H | 83 82 dt 1H J 21 86 | 76 76 dq 1H J 8 22 | 75 74 dd 1H J 40 85 | 74 73 m 1H | 73 73 m 1H | 73 72 ddd 1H J 14 22 79 | 72 71 m 2H | 67 67 d 1H J 68 | 49 48 m 1H | 46 45 d 1H J 66 | 24 24 dd 1H J 49 139 | 22 21 dd 1H J 49 139 | 14 14 s 3H | 13 13 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc(Nc2cnc3ccc(N)nc3c2)cc(OC)c1OC | ir: 1 3 4 2 5 3 3 5 2 8 4 4 4 4 2 2 14 2 3 6 3 5 11 8 8 10 12 7 2 12 11 3 2 3 2 2 1 1 2 2 0 1 1 1 1 0 1 1 4 2 1 2 2 2 2 18 6 6 4 0 2 2 2 3 3 2 4 6 8 12 7 9 5 3 1 1 7 1 1 3 1 0 1 1 0 0 1 1 0 0 1 0 1 1 4 13 2 2 3 1 0 0 1 1 2 35 3 1 0 0 2 1 0 1 3 5 1 2 14 2 1 1 1 1 0 1 1 1 0 1 1 0 1 1 2 1 3 22 1 2 1 1 1 1 1 15 3 8 1 88 15 4 64 2 2 34 3 3 2 3 2 2 2 9 1 1 39 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 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 1 1 1 1 0 0 0 1 0 0 0 1 1 1 1 1 2 2 11 9 19 3 2 3 1 1 1 3 1 1 1 1 1 0 1 2 3 1 15 4 1 1 4 10 22 11 5 4 2 18 100 5 5 2 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; 1HNMR: 84 84 d 1H J 16 | 81 81 d 1H J 80 | 79 79 s 1H | 76 76 d 1H J 18 | 70 69 d 1H J 81 | 68 68 s 2H | 56 56 s 2H | 39 38 s 3H | 38 38 s 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccccc1NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1 | ir: 1 2 3 7 4 8 2 2 2 4 2 2 2 4 2 3 1 1 10 12 4 4 7 4 7 1 1 2 2 8 6 6 7 3 4 4 4 3 6 23 49 48 44 47 23 13 5 3 4 6 2 1 1 1 3 13 3 4 8 8 2 1 4 10 3 3 3 6 3 23 4 3 2 2 6 15 6 5 2 5 1 1 2 8 1 12 9 5 4 2 5 4 2 3 17 5 4 6 22 4 6 23 11 6 4 4 3 17 9 3 4 5 3 2 2 4 3 10 4 3 2 4 7 5 16 3 2 1 3 3 3 3 2 15 37 9 6 14 9 15 9 2 6 15 10 3 4 14 23 5 5 27 100 29 6 39 5 2 2 3 21 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 2 1 2 1 3 2 2 4 1 0 2 3 4 10 11 18 15 91 61 12 6 2 4 1 1 2 2 1 1 0 1 1 1 1 1 2 1 3 7 19 14 19 51 13 18 16 2 5 3 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 81 80 m 2H | 76 75 m 3H | 75 74 dd 1H J 10 83 | 73 73 ddd 1H J 11 70 79 | 72 72 m 2H | 38 37 m 4H | 36 35 dd 4H J 45 53 | 23 23 d 3H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CO[C@@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1ccc2c(Cl)ncnc21 | ir: 1 1 1 1 1 2 2 1 1 1 1 1 7 2 5 24 4 3 3 8 2 4 4 4 15 12 20 8 11 7 6 4 12 100 8 2 3 4 8 4 12 1 2 5 3 1 1 2 2 4 3 3 1 2 1 2 3 2 3 2 1 3 2 3 3 10 8 7 10 15 15 4 4 2 2 1 4 3 3 7 14 1 1 6 1 1 1 1 1 1 1 1 4 2 22 3 3 2 1 9 25 31 18 6 0 6 5 3 2 4 3 1 5 3 3 2 2 2 5 6 12 10 26 16 3 9 5 3 3 3 3 4 13 2 1 1 2 1 36 5 1 2 0 4 67 9 7 3 15 20 7 1 4 4 6 5 2 55 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 4 4 2 6 9 3 8 15 6 4 4 9 37 11 12 3 6 3 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 0 0 0 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 d 1H J 76 | 67 67 d 1H J 75 | 62 62 ddt 1H J 7 15 57 | 55 55 ddtd 1H J 9 18 38 47 | 45 45 dddd 1H J 15 23 31 62 | 45 44 qt 1H J 10 43 | 44 43 ddd 1H J 18 41 121 | 42 41 ddd 1H J 18 42 122 | 33 33 d 3H J 14 | 21 20 d 6H J 22 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1c2cc(F)ccc2CCN1C(=O)c1cc2ncc(Br)cn2n1 | ir: 3 3 5 3 5 3 11 3 3 3 2 3 3 2 10 5 5 10 10 10 11 19 9 4 3 3 4 10 7 2 4 3 3 2 2 3 3 4 3 4 8 1 2 6 6 0 3 9 14 100 11 0 8 12 5 4 5 3 4 15 5 5 9 3 6 9 6 14 14 2 3 4 4 7 30 34 3 3 3 2 3 3 2 3 3 7 3 6 4 15 4 4 13 6 9 4 4 8 18 32 7 45 5 3 6 4 7 4 2 2 4 4 2 3 5 6 7 4 5 5 10 23 53 21 11 3 3 5 60 19 11 4 5 3 3 2 3 3 4 2 4 6 13 13 3 3 3 3 3 2 12 5 40 14 3 21 6 2 3 3 7 14 3 2 2 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 3 4 3 4 4 5 3 4 4 6 14 2 10 40 31 12 52 15 7 5 3 2 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 99 98 d 1H J 13 | 88 88 d 1H J 13 | 71 71 ddt 1H J 8 46 81 | 70 69 m 2H | 70 69 s 1H | 51 50 qd 1H J 7 66 | 40 39 ddd 2H J 7 46 55 | 30 29 m 2H | 14 14 d 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NCCCOc1cc(CN2CCCCC2)ccn1)c1cn[nH]c1 | ir: 2 2 3 6 8 6 8 1 2 2 2 2 4 6 10 6 2 2 2 2 2 3 2 3 2 4 5 7 3 3 2 4 4 8 9 3 11 13 19 27 47 52 7 18 9 3 5 6 3 6 3 3 3 3 2 2 2 1 2 3 2 1 2 3 7 8 9 22 10 19 8 17 14 10 11 3 3 13 3 4 5 7 5 24 3 6 5 9 9 19 11 5 5 4 4 2 3 3 2 3 8 2 4 1 3 2 1 3 2 7 12 11 9 5 9 10 5 5 5 4 8 5 3 7 7 4 1 2 5 5 1 3 4 2 10 3 1 16 2 3 5 8 20 75 10 7 3 49 47 10 100 7 9 6 2 0 1 4 3 6 84 4 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 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 3 2 1 2 2 2 2 1 6 19 9 14 5 14 15 6 6 4 5 2 2 1 1 1 2 1 3 2 2 1 1 2 4 6 7 5 15 14 20 63 15 3 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 t 1H J 49 | 81 81 d 1H J 17 | 80 80 m 2H | 71 70 ddd 1H J 10 21 45 | 66 65 dt 1H J 10 21 | 42 42 t 2H J 68 | 37 36 t 2H J 8 | 34 33 td 2H J 50 58 | 24 23 m 4H | 22 21 tt 2H J 58 68 | 16 15 dtd 4H J 32 48 60 | 15 14 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1c2ccccc2C(=O)N1CCSc1cccc2nccn12 | ir: 5 3 2 4 4 5 4 9 29 27 7 11 8 6 4 10 8 9 8 7 5 6 3 4 4 4 4 4 4 3 3 5 7 4 5 5 4 3 3 5 4 9 56 86 25 50 44 25 11 16 21 9 4 3 3 6 8 6 6 6 3 3 4 5 3 3 4 4 4 5 15 21 5 4 3 4 4 3 4 5 7 10 10 4 7 8 7 10 6 7 8 10 15 8 8 20 6 6 5 4 2 3 4 4 5 7 16 12 21 27 8 7 6 11 10 9 10 24 16 9 29 38 10 6 5 5 5 8 4 4 5 12 9 6 7 25 27 13 17 11 33 10 7 7 10 10 17 3 3 6 36 0 6 4 4 3 3 4 3 3 3 8 7 9 3 4 4 3 3 3 4 3 8 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 3 3 3 3 3 4 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 5 3 4 6 4 3 14 11 10 5 8 11 7 4 22 52 100 33 83 58 77 20 11 3 4 5 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 79 79 d 1H J 37 | 79 78 dd 2H J 31 51 | 78 78 d 1H J 37 | 77 77 dd 2H J 31 51 | 77 77 dd 1H J 13 77 | 75 74 dd 1H J 59 78 | 70 70 dd 1H J 13 59 | 42 41 t 2H J 34 | 34 34 t 2H J 34 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 | ir: 3 9 4 3 3 3 5 9 0 3 5 5 4 9 8 12 2 7 5 4 1 2 2 2 2 7 12 6 8 5 6 16 9 18 9 4 6 10 6 10 36 28 57 29 21 2 5 5 4 7 2 3 4 21 20 17 2 5 3 5 3 4 4 0 4 15 7 3 3 8 8 12 10 3 6 8 3 3 2 1 3 5 4 8 6 4 2 1 2 3 3 7 6 4 1 4 3 7 17 19 26 8 3 4 4 23 18 11 6 7 5 8 11 12 9 17 34 21 19 7 9 14 15 16 11 11 6 9 16 13 12 16 14 17 4 8 4 7 5 3 5 6 8 54 10 39 21 22 24 11 7 6 18 15 4 3 2 1 1 17 8 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 4 2 4 5 3 2 1 2 2 4 5 11 13 20 100 46 11 4 3 2 2 1 2 3 2 2 2 3 2 2 2 2 9 3 5 6 4 7 37 28 21 7 6 5 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 80 d 1H J 75 | 80 79 t 1H J 56 | 79 78 dp 1H J 14 105 | 78 78 dd 1H J 16 73 | 78 77 ddd 1H J 16 68 106 | 75 75 m 1H | 72 72 d 1H J 75 | 37 36 m 4H | 36 36 dd 4H J 43 58 | 36 35 t 2H J 39 | 35 35 q 2H J 62 | 34 34 dt 2H J 39 57 | 11 10 t 3H J 61 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=CCOc1ccc(F)cc1 | ir: 6 3 5 7 5 4 7 7 17 7 4 23 15 6 20 9 5 5 4 4 3 3 3 3 3 3 3 6 4 3 3 4 3 3 3 4 3 2 2 4 3 2 3 7 6 3 8 7 7 6 5 12 11 16 27 21 38 27 11 4 7 7 8 7 7 13 6 12 15 7 6 4 5 3 2 2 3 3 2 2 3 3 2 3 3 6 6 7 8 3 3 2 3 3 3 3 4 3 4 5 4 11 6 8 8 13 7 6 3 3 3 4 4 3 4 4 3 4 3 3 3 4 5 6 6 4 6 4 2 3 3 2 2 2 2 3 3 2 2 3 2 3 4 3 4 6 16 100 25 32 39 14 9 19 9 5 3 3 3 3 3 3 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 4 2 5 4 3 2 3 6 3 1 3 7 6 4 11 40 100 28 32 49 5 14 3 0 4 6 2 1 3 5 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 99 98 t 1H J 42 | 72 71 tt 2H J 15 90 | 70 69 m 2H | 46 45 d 2H J 42 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCc1nc2ccc(C(=O)c3ccccc3)cc2n1Cc1ccc(C(=O)OC)cc1 | ir: 5 2 1 7 9 5 4 2 3 2 1 1 5 17 9 3 3 2 9 14 13 4 3 2 1 3 1 4 1 1 9 7 4 5 26 19 6 15 42 18 11 6 4 2 4 2 2 1 2 2 1 0 3 5 9 4 40 7 4 2 2 2 1 1 1 2 2 4 7 3 5 2 1 3 2 4 3 3 4 1 2 2 0 0 1 1 0 1 2 1 0 3 2 4 2 1 2 1 1 1 3 2 6 2 2 1 2 2 2 7 9 7 4 2 3 41 42 8 7 5 8 9 0 7 9 19 2 3 5 1 1 1 8 3 13 5 3 3 11 11 27 30 9 39 35 8 5 5 14 12 2 15 12 18 3 3 1 1 1 1 1 0 2 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 5 4 11 21 35 100 20 26 10 5 3 3 3 1 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 dd 1H J 22 75 | 79 79 m 2H | 79 78 d 1H J 21 | 78 78 m 3H | 76 75 m 1H | 75 75 ddt 2H J 14 65 82 | 74 73 dt 2H J 9 74 | 54 53 t 2H J 9 | 39 39 s 2H | 26 26 t 2H J 62 | 18 17 qt 2H J 62 75 | 10 9 t 3H J 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cn(C(C)C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)cc1Br | ir: 21 17 18 7 2 4 2 4 3 12 11 6 10 13 13 9 13 4 3 2 1 2 3 2 6 3 9 4 8 5 4 8 6 5 3 20 8 5 7 11 23 37 28 26 14 8 4 3 26 26 6 2 4 4 6 9 18 15 11 1 5 17 7 8 12 8 8 86 30 16 21 15 2 2 2 4 3 2 2 1 1 2 1 1 1 1 2 3 7 13 6 2 2 2 2 3 9 7 3 5 9 25 3 5 26 21 9 3 0 1 2 2 2 5 4 15 12 51 19 9 3 6 10 16 5 11 10 17 15 6 7 7 8 5 2 1 2 6 35 6 5 25 45 22 21 6 12 26 7 4 20 45 81 45 21 65 19 9 4 2 2 3 4 15 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 3 2 1 2 1 2 2 3 3 5 8 12 22 52 19 34 83 16 27 17 8 9 6 4 2 3 3 1 2 2 3 5 1 4 2 5 3 8 8 38 100 24 14 6 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 s 1H | 80 79 m 2H | 76 76 m 2H | 70 69 d 1H J 16 | 68 68 s 1H | 51 51 qd 1H J 17 72 | 38 38 s 3H | 16 16 s 8H | 16 15 d 4H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CS(=O)(=O)c1ccc(-c2ccc(N=C=S)cc2C(F)(F)F)cc1 | ir: 4 6 8 6 6 6 6 7 4 6 9 10 5 9 15 11 7 6 8 5 5 5 5 4 4 5 5 4 4 5 5 4 4 6 6 5 6 6 6 6 5 6 6 5 4 6 5 3 4 6 5 4 6 14 13 59 12 9 7 4 5 7 5 3 13 5 6 8 18 8 5 3 5 7 4 3 5 6 4 4 6 8 4 12 46 5 8 6 18 6 4 5 5 5 28 6 7 7 0 18 5 23 7 9 12 29 8 13 6 8 5 5 5 5 4 5 6 6 7 13 6 7 13 8 13 9 4 5 5 4 3 5 5 4 4 5 6 4 3 6 31 5 4 5 5 4 10 10 5 4 4 5 6 10 4 5 5 4 4 5 5 3 4 6 4 3 4 6 5 3 6 100 5 5 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 3 4 5 4 3 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 7 5 5 5 5 4 4 4 5 4 4 5 7 12 12 7 14 15 49 33 11 6 5 5 6 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5; 1HNMR: 79 78 m 2H | 78 77 m 2H | 75 75 d 1H J 77 | 75 74 dq 1H J 9 19 | 73 72 dd 1H J 21 78 | 33 32 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC1CCNC(=O)C1 | ir: 5 3 0 3 8 28 6 3 4 11 2 3 11 11 3 3 3 2 2 4 5 2 2 4 6 5 99 11 25 15 34 4 5 3 3 3 3 3 3 4 3 3 8 5 4 4 8 42 3 3 5 3 3 3 16 3 3 2 4 3 3 4 3 5 2 3 3 4 7 5 5 4 4 2 3 3 3 3 3 3 2 2 3 3 2 2 4 4 2 2 3 3 2 3 9 3 2 2 3 3 3 3 5 6 11 5 8 4 3 4 22 9 6 5 5 5 6 9 4 8 15 41 7 4 5 8 6 3 3 4 13 17 6 5 5 4 18 36 2 3 2 3 3 2 3 3 7 2 3 3 9 7 56 83 29 10 5 3 3 2 3 3 3 2 3 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 4 4 4 3 5 9 7 5 3 4 5 5 5 6 47 6 3 4 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 3 6 5 4 4 17 100 48 11 9 8 4 4 3 3 2 2 4 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2; 1HNMR: 63 62 t 1H J 39 | 34 33 dddd 1H J 24 40 51 136 | 33 32 dddd 1H J 24 40 51 136 | 25 24 dd 1H J 75 159 | 22 22 dd 1H J 74 160 | 20 19 dddt 1H J 15 57 71 143 | 18 17 dddd 1H J 22 49 68 140 | 16 14 m 2H | 13 12 dqd 1H J 57 72 128 | 9 8 td 3H J 15 72 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2[C@@H](O)C[C@]2(C)C(=O)[C@H]4C[C@H]4[C@@H]32)C1 | ir: 3 3 3 3 1 1 2 4 3 2 3 1 1 3 2 3 3 1 32 4 2 1 2 2 5 2 10 1 1 2 1 1 10 10 7 8 3 2 3 1 1 1 5 12 2 1 0 0 1 2 1 1 1 1 2 2 7 2 1 2 2 3 1 3 3 4 4 11 5 4 8 7 5 11 1 3 3 2 4 2 5 6 5 14 14 30 54 18 17 36 23 6 2 7 3 3 1 8 7 24 10 3 4 9 5 4 9 6 3 8 20 12 13 6 8 7 6 3 5 4 7 6 10 17 18 8 7 4 2 4 3 13 4 7 6 4 3 3 1 2 1 2 1 2 45 5 3 5 2 4 10 26 3 4 1 1 1 11 1 0 1 1 1 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 2 4 3 5 2 2 4 9 4 2 3 4 7 9 20 31 29 6 10 7 4 4 4 14 17 100 14 7 6 3 1 0 2 3 1 0 3 2 2 1 2 1 1 1 1 1 1 1 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; 1HNMR: 54 53 tdt 1H J 9 18 53 | 46 46 tt 1H J 36 63 | 42 41 dtdd 1H J 37 48 60 75 | 29 29 d 1H J 57 | 25 24 ddq 1H J 10 37 156 | 24 23 ddq 1H J 9 62 155 | 22 20 m 2H | 20 20 s 2H | 20 19 ddd 1H J 48 57 77 | 19 19 m 1H | 19 18 m 2H | 19 18 m 2H | 17 16 m 1H | 17 16 m 1H | 15 14 m 3H | 12 11 m 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(S(=O)(=O)NCCN(CCNS(=O)(=O)c2ccc(C)cc2)Cc2ccccc2)cc1 | ir: 6 9 4 2 2 1 1 1 2 7 5 10 8 1 1 1 1 0 0 0 1 0 1 4 1 0 0 1 1 2 2 3 3 2 1 2 1 5 7 12 4 4 6 8 2 10 5 13 6 9 4 2 4 52 8 13 1 1 3 6 8 5 2 2 13 46 7 7 8 12 5 4 3 2 1 1 1 1 5 1 1 31 5 2 87 2 2 12 8 6 2 2 7 14 6 1 6 7 3 3 9 10 8 29 45 34 28 19 6 4 3 3 1 3 5 2 1 2 3 4 3 1 2 6 5 14 6 3 2 3 2 1 1 1 1 3 1 1 1 0 0 2 3 2 2 2 12 5 1 2 1 1 3 1 1 0 0 1 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 0 0 0 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 1 1 0 1 1 1 1 1 1 1 1 3 1 2 4 12 22 19 10 5 4 4 1 1 1 1 1 1 1 2 1 0 1 1 2 2 3 5 100 78 11 4 1 2 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 4H | 73 72 m 9H | 58 57 t 2H J 62 | 37 36 d 1H J 11 | 31 31 m 4H | 29 28 t 4H J 56 | 24 24 d 6H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)NCCS(=O)CC(=O)O | ir: 10 24 11 4 7 4 2 6 1 6 4 19 4 3 4 10 13 9 21 100 23 6 4 4 2 1 0 1 2 2 4 4 8 6 14 7 34 12 7 4 2 3 2 2 2 6 1 3 3 0 1 2 1 0 1 1 1 3 2 1 1 1 0 9 2 0 1 31 19 2 1 3 3 2 3 6 2 5 13 34 12 6 3 8 3 1 0 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 2 2 3 3 15 11 2 5 9 14 14 13 21 7 2 3 7 11 8 2 1 2 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 26 17 18 9 25 29 3 64 2 2 2 1 1 1 0 0 0 1 2 1 1 1 0 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 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 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 1 1 1 0 1 1 1 1 1 1 1 1 4 7 3 2 4 3 2 1 3 32 13 8 1 0 1 1 0 0 1 1 2 0 79 23 2 2 1 1 1 1 1 1 1 2 2 3 39 94 26 9 2 1 1 1 1 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 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; 1HNMR: 59 59 t 1H J 51 | 41 41 q 2H J 63 | 38 37 s 2H | 35 35 td 2H J 52 59 | 30 29 t 2H J 60 | 12 12 t 3H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)O[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F | ir: 11 6 10 3 11 6 5 3 5 6 5 6 4 6 7 10 13 5 43 29 9 5 2 11 8 3 4 6 7 3 5 4 3 2 2 4 5 2 2 4 4 4 2 4 2 1 4 5 10 13 32 45 8 3 4 5 3 1 8 8 4 2 5 10 4 9 14 9 11 7 21 8 4 6 6 12 8 10 30 27 9 6 8 10 9 12 65 37 21 12 25 30 36 15 14 6 14 13 9 7 20 23 10 7 3 12 3 15 4 7 14 10 28 12 14 7 7 9 11 11 14 11 16 33 31 22 23 12 9 8 9 8 6 8 9 4 2 5 7 2 0 11 18 51 97 44 2 4 4 3 4 3 14 17 2 2 2 3 2 2 2 1 7 41 37 0 1 1 2 3 1 1 2 2 1 0 1 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 2 3 1 0 1 3 2 0 1 2 1 0 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 3 2 1 3 2 3 3 5 8 4 8 7 9 8 14 8 15 7 12 30 28 100 82 24 6 2 3 4 4 4 17 17 4 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 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0; 1HNMR: 69 68 ddq 1H J 11 38 110 | 63 62 dd 1H J 13 110 | 61 61 q 1H J 10 | 53 52 ddt 1H J 39 69 81 | 37 37 tdt 1H J 16 35 53 | 27 26 dddd 1H J 9 57 82 140 | 25 25 d 1H J 49 | 25 24 dddd 1H J 9 56 82 141 | 24 23 ddd 1H J 31 43 137 | 22 21 dddt 1H J 37 64 76 86 | 21 20 ddd 1H J 31 71 137 | 21 20 s 3H | 20 18 m 2H | 18 16 m 3H | 16 14 m 2H | 14 13 dd 3H J 11 31 | 9 9 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)[C@H]1CC[C@@H](C(=O)N2CCCC2)N1C(=O)NCc1ccccc1 | ir: 1 4 6 3 4 4 5 2 1 7 8 2 0 5 6 2 2 4 5 5 1 4 5 5 3 7 7 4 5 11 14 8 7 10 9 19 11 11 14 39 20 19 32 10 7 8 3 2 2 5 5 5 5 8 7 1 3 5 3 2 11 7 11 5 3 5 5 4 8 7 2 1 3 4 2 1 3 6 4 2 4 3 1 1 4 3 1 2 19 20 3 6 5 4 3 2 7 7 5 4 7 3 3 4 14 16 8 20 19 6 2 4 10 7 4 8 5 3 2 9 8 4 1 6 5 4 1 7 8 4 3 6 6 4 11 17 13 6 2 4 6 7 37 53 14 13 20 30 29 10 7 100 62 4 3 4 3 1 2 4 2 1 2 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 4 3 2 2 4 3 2 6 4 4 3 6 7 4 4 19 12 28 35 32 10 5 2 2 3 2 1 2 3 2 1 3 3 2 1 3 4 2 1 8 6 7 10 10 14 9 4 5 4 1 2 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3; 1HNMR: 74 72 m 3H | 73 73 s 3H | 62 61 t 1H J 56 | 44 44 m 3H | 35 34 m 5H | 22 21 m 1H | 20 19 m 2H | 18 17 m 5H | 10 9 d 9H J 16 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)Cc1c(C)nc(C)nc1Oc1ccn(Cc2c(Cl)cccc2Cl)n1 | ir: 1 2 1 1 1 1 1 2 1 2 1 2 3 2 4 7 6 1 1 1 0 0 1 0 0 1 1 3 1 1 1 1 1 2 1 0 1 1 2 6 7 3 5 5 3 1 5 15 11 15 10 2 1 2 3 3 1 1 0 2 2 1 4 3 2 1 3 1 1 2 1 2 2 1 1 1 0 0 0 0 1 1 1 1 1 1 0 0 1 1 3 3 1 1 1 1 4 10 3 1 1 1 0 0 1 1 0 0 1 0 1 1 4 1 0 1 1 1 1 2 2 3 1 1 2 1 1 1 3 1 1 2 8 8 8 5 13 3 2 6 4 2 5 19 14 11 20 5 5 100 48 19 2 3 2 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 1 1 1 2 2 5 4 3 7 38 22 10 5 3 7 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 73 m 5H | 62 61 d 1H J 37 | 55 55 d 2H J 9 | 41 40 s 2H | 37 36 s 3H | 25 24 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. |
CCn1c(SCC(=O)c2nc3ccccc3s2)nnc1-c1ccccc1 | ir: 2 2 2 4 36 7 5 9 3 7 3 3 1 1 2 9 3 7 25 9 5 2 1 2 1 2 4 3 4 3 9 18 44 21 4 3 1 5 4 3 12 28 53 22 7 2 3 3 8 7 4 5 6 2 1 2 1 0 2 3 1 0 1 2 1 0 1 6 12 25 3 5 2 2 1 5 3 1 2 3 1 2 1 1 0 7 2 1 1 1 1 1 1 1 1 2 1 1 1 1 3 2 6 4 3 2 2 5 3 2 3 3 5 6 35 14 10 8 9 3 3 4 6 9 5 17 4 9 14 19 8 1 7 44 20 10 6 9 2 2 4 14 75 14 5 9 19 26 20 4 2 2 4 1 1 0 1 1 1 1 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 3 3 3 2 4 2 4 5 6 12 24 20 45 100 34 23 6 6 4 2 1 2 1 1 1 1 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 dd 1H J 15 73 | 80 79 m 3H | 75 74 m 4H | 74 74 td 1H J 15 75 | 46 46 s 2H | 43 43 q 2H J 59 | 15 15 t 3H J 60 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCCOc1ccc(C(C)=O)c(O)c1 | ir: 5 3 2 2 3 2 1 2 2 2 1 4 2 2 6 4 5 3 2 2 6 9 8 10 7 3 2 2 2 1 1 2 3 1 2 3 4 11 12 4 3 1 2 4 2 1 1 3 2 1 2 2 2 4 16 17 3 5 3 2 3 2 1 1 2 3 15 39 15 5 11 5 5 5 2 3 2 5 4 4 8 69 100 9 2 2 3 2 1 2 2 2 1 2 5 3 1 1 2 1 1 1 2 2 0 2 3 1 1 3 2 2 2 3 3 2 1 4 6 5 4 7 7 7 20 7 4 6 8 7 3 2 1 2 2 11 19 6 3 1 1 2 2 1 1 2 2 1 8 5 2 11 28 3 25 6 4 2 2 2 2 1 46 1 1 3 2 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 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 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 1 1 2 2 4 4 3 1 1 2 2 2 2 1 2 2 4 7 7 8 11 14 8 14 5 3 2 3 2 1 34 70 1 3 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 d 1H J 82 | 67 66 dd 1H J 22 82 | 65 65 d 1H J 22 | 42 41 t 2H J 49 | 37 36 t 2H J 50 | 34 34 s 3H | 26 26 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCCCCCC=Cc1c[nH]cn1 | ir: 1 0 0 0 1 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 1 1 14 1 2 0 0 0 0 0 0 0 0 0 1 0 1 1 1 8 22 27 16 5 2 17 4 9 0 1 0 1 1 1 1 1 6 12 1 2 1 3 2 3 8 4 5 1 6 4 1 1 2 14 10 4 8 1 1 1 1 1 1 1 5 28 36 14 12 77 22 14 8 11 6 1 7 32 54 13 5 9 14 27 20 18 51 12 11 5 13 9 26 13 26 13 15 27 41 93 47 14 8 11 3 5 5 6 12 6 1 2 2 2 8 4 3 1 1 1 1 1 1 1 1 3 2 2 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 1 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 4 7 4 8 15 20 8 5 7 4 3 8 8 13 33 62 25 22 7 30 11 14 8 3 3 3 2 5 2 24 100 23 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 17 56 | 80 79 t 1H J 53 | 75 75 dd 1H J 18 50 | 66 65 dt 1H J 13 148 | 61 60 m 1H | 24 23 tdd 2H J 13 60 78 | 15 14 m 2H | 13 12 m 8H | 9 8 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)N1CC=C(c2ncccc2C#N)CC1 | ir: 4 3 3 93 11 16 7 4 5 3 14 7 3 4 2 1 1 2 3 1 1 3 2 2 1 3 2 3 1 2 5 3 1 2 2 1 5 5 5 5 5 4 14 10 4 4 2 2 1 3 2 1 1 2 2 1 1 4 3 1 3 5 4 12 7 5 9 2 3 2 1 1 2 3 1 1 1 2 2 2 2 2 1 2 9 3 2 5 2 4 3 3 5 2 1 2 2 2 2 2 3 5 3 5 3 2 1 2 2 2 2 3 5 8 15 7 12 13 13 21 12 12 6 5 4 7 10 6 4 8 12 15 4 7 9 11 7 4 3 5 2 2 3 2 8 2 2 4 3 0 3 100 5 3 6 5 3 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 21 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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 2 1 2 3 2 7 4 3 3 5 2 4 3 2 2 4 3 5 25 9 9 8 13 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 dd 1H J 20 35 | 81 81 dd 1H J 20 66 | 75 75 dd 1H J 34 65 | 66 66 tt 1H J 9 38 | 42 42 dt 2H J 10 38 | 39 39 m 2H | 32 32 m 2H | 15 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)OC1CCC(C(=O)Cn2c(=O)c3ccc(F)cc3c3cnccc32)CC1 | ir: 7 3 2 4 3 4 2 3 3 4 8 3 8 17 4 12 19 4 4 6 7 2 23 4 3 3 6 2 3 6 9 18 10 18 2 2 13 9 4 11 2 1 3 1 3 5 18 26 9 18 2 6 4 11 14 33 6 0 8 3 2 4 2 3 1 1 23 14 5 3 3 1 4 36 18 11 3 7 2 2 1 0 2 4 4 1 4 3 0 0 1 2 0 3 6 4 1 2 4 5 24 27 3 5 5 8 12 12 14 8 20 6 6 6 45 7 9 5 11 5 11 26 31 39 21 18 7 19 14 2 5 2 4 4 5 5 3 3 1 5 26 7 7 21 100 18 8 0 14 14 4 1 5 27 4 9 2 4 2 1 1 5 9 22 3 2 2 2 3 3 41 5 4 2 2 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 2 1 0 1 2 2 5 4 9 6 2 4 3 3 5 8 12 14 24 20 60 23 18 13 9 2 4 2 1 2 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 14 | 85 85 dd 1H J 13 49 | 82 81 dd 1H J 49 87 | 79 78 dd 1H J 26 121 | 77 77 d 1H J 49 | 73 73 ddd 1H J 27 86 102 | 48 47 p 1H J 50 | 45 45 s 2H | 26 25 p 1H J 62 | 20 20 s 2H | 20 18 m 4H | 17 16 ddt 2H J 62 90 130 | 16 15 dddd 2H J 51 63 90 139 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1c(C)c(-c2ccc(OCc3c(C)cccc3N)c(C)c2)nn1C | ir: 2 2 4 6 7 5 25 8 12 5 6 4 6 3 4 5 9 16 9 4 3 1 3 8 2 2 2 2 2 1 1 2 2 2 1 1 2 2 2 2 1 2 2 3 3 2 8 10 6 4 3 2 3 3 13 8 10 2 2 2 1 1 2 2 2 2 3 4 5 2 7 8 4 2 2 3 2 2 2 2 2 14 2 1 2 2 3 3 2 3 1 2 2 3 11 3 2 1 1 1 2 2 1 2 3 4 1 1 1 1 3 3 2 2 3 2 2 3 3 1 7 4 4 3 2 2 1 4 5 3 2 2 2 2 8 37 9 2 2 2 4 2 1 9 3 2 6 3 7 8 4 2 13 37 9 2 2 22 7 100 16 3 3 5 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 1 1 2 1 3 2 2 5 3 6 14 9 7 37 23 5 3 2 3 1 2 2 1 1 1 1 1 1 2 2 3 23 15 4 2 2 1 1 1 1 1 11 8 22 73 7 3 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 21 89 | 74 73 dd 1H J 7 22 | 71 70 t 1H J 79 | 69 68 d 1H J 89 | 68 67 m 1H | 66 65 dd 1H J 11 77 | 51 51 s 2H | 44 43 s 2H | 43 42 q 2H J 58 | 37 37 s 3H | 23 22 d 3H J 7 | 22 22 s 3H | 21 21 s 3H | 14 13 t 3H J 58 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1cnc(N2CCN(C(=O)c3ccc(N4CCN(C(C)=O)C4=O)nc3)CC2)c(C)c1 | ir: 6 7 10 9 5 6 3 6 7 4 4 4 4 3 4 4 5 4 8 7 7 5 4 5 5 6 6 6 9 5 6 6 4 5 8 9 10 26 56 25 100 31 9 6 5 5 7 6 4 5 16 14 4 3 9 22 15 7 7 5 5 4 5 7 6 5 7 7 6 8 13 8 8 5 3 3 3 6 18 5 3 3 7 16 7 13 13 8 10 4 3 7 7 6 3 8 8 15 7 7 4 4 7 4 9 10 11 5 6 4 5 6 4 17 12 4 5 6 7 10 24 13 5 13 9 9 13 8 14 6 9 5 5 10 10 8 5 5 6 22 7 5 5 4 5 21 32 34 8 6 6 6 11 20 26 5 51 0 2 6 16 21 5 4 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 3 4 6 8 7 4 4 3 5 9 10 26 8 11 31 19 9 6 4 4 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 86 86 d 1H J 19 | 79 79 m 2H | 73 73 d 1H J 79 | 72 71 m 1H | 41 40 m 2H | 40 40 dd 2H J 43 52 | 37 36 m 4H | 35 35 m 4H | 28 27 qt 2H J 9 77 | 23 23 s 2H | 22 22 s 2H | 14 13 t 3H J 76 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1ccc(C(C)=O)cc1C(=O)Cl | ir: 0 7 14 8 2 8 13 7 2 8 13 5 2 9 14 7 14 21 23 26 6 18 15 8 5 11 10 4 4 13 13 7 4 11 10 11 11 18 15 11 13 13 9 1 5 12 8 1 6 12 7 0 9 23 15 5 11 15 9 1 6 12 6 3 9 13 8 9 16 13 9 4 10 15 6 7 10 11 8 3 8 9 4 3 9 9 3 3 9 9 3 4 10 9 3 5 10 13 15 5 12 9 4 10 25 18 2 6 12 12 8 12 14 8 1 8 19 10 6 10 15 8 3 21 38 8 14 26 66 15 4 10 10 6 3 10 12 10 11 14 20 62 100 65 18 12 9 10 8 5 17 23 47 17 10 10 11 4 5 10 7 2 7 12 8 4 6 11 6 1 6 11 6 1 6 11 6 2 7 10 5 2 7 10 5 2 7 10 5 3 7 9 4 3 8 9 4 3 8 8 3 4 9 8 3 4 9 8 3 4 9 7 2 5 10 7 2 5 10 7 2 5 10 6 1 6 10 6 1 6 10 6 1 6 10 5 2 7 10 5 2 7 9 5 3 7 9 4 3 8 9 4 3 8 8 4 4 8 8 3 4 9 8 3 5 9 8 3 5 11 9 3 5 10 8 2 6 10 9 3 7 12 11 2 14 14 48 27 26 18 11 4 9 10 6 3 8 10 5 3 7 9 5 3 7 9 4 3 7 8 4 4 8 8 4 4 8 8 4 4 8 7 3 5 9 7 3 5 9 7 3 5 9 6 3 5 9 6 2 6 10 6 2 6 9 6 2 6 9 5 3 6 9 5 3 7 9 5 3 7 8 5 3 7 8 4 4 7 8 4 4 8 8 4 4 8 7 4 5 8 7 3 5 8 7 3 5 9 6 3 5 9 6 3 6 9 6 3 6 9; 1HNMR: 83 83 d 1H J 22 | 81 80 dd 1H J 22 84 | 72 72 d 1H J 85 | 42 41 q 2H J 62 | 26 26 s 2H | 15 15 t 3H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
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