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CCC(=O)Nc1c(C(=O)c2cc(Cl)ccn2)[nH]c2cc(Cl)ccc12 | ir: 2 5 9 3 4 4 4 3 4 7 6 3 2 4 6 8 5 5 5 3 3 4 4 3 3 4 4 4 4 5 7 21 20 6 7 8 26 4 5 9 9 2 3 4 5 7 7 6 6 4 6 8 8 13 100 24 12 3 12 10 10 4 3 4 5 6 11 3 21 5 4 4 4 4 8 4 3 2 3 3 3 4 3 14 3 2 4 4 5 23 7 10 5 4 3 3 3 4 3 13 3 3 3 5 2 3 5 3 0 4 56 2 7 4 1 4 5 3 8 9 7 6 8 6 4 3 1 9 50 9 6 5 23 5 3 3 5 10 19 21 6 3 4 4 7 11 13 17 7 4 8 4 15 3 4 3 5 11 38 17 20 4 3 6 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 5 4 5 7 9 15 14 38 9 13 5 3 4 3 3 4 3 4 3 4 3 4 3 3 4 5 4 5 13 21 30 15 20 13 23 5 6 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3; 1HNMR: 94 94 s 1H | 87 87 d 1H J 35 | 82 81 d 1H J 83 | 78 78 d 1H J 22 | 75 75 d 1H J 23 | 73 72 dd 1H J 22 35 | 72 72 dd 1H J 22 82 | 24 24 q 2H J 71 | 12 11 t 3H J 71 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccc(CN2Cc3c(F)c(N[C@@H]4CCOC[C@@H]4N)nc(Cl)c3C2=O)c(OC)c1 | ir: 5 3 2 1 1 4 1 2 2 1 2 2 2 3 8 29 35 8 4 6 11 17 6 14 14 12 41 20 16 2 2 3 3 5 4 5 6 2 5 2 1 8 100 19 19 6 5 3 2 1 1 3 3 7 14 24 8 11 42 37 3 3 4 11 8 5 23 21 9 9 6 6 22 16 9 13 5 4 4 10 25 12 17 6 1 2 4 5 4 11 11 9 2 2 2 2 4 1 2 2 7 3 1 3 7 2 5 4 1 5 26 6 11 2 3 8 7 8 8 5 11 8 13 12 14 3 10 4 8 15 28 5 12 9 14 46 11 4 6 14 89 4 3 3 3 1 4 3 2 3 19 0 1 8 9 68 31 1 0 3 1 0 25 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 1 0 1 1 1 1 1 2 2 2 1 3 4 4 2 1 8 4 12 21 14 4 2 1 1 0 1 1 1 1 2 2 3 12 19 6 9 5 5 6 4 37 26 10 93 69 22 7 2 3 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; 1HNMR: 71 71 dp 1H J 9 85 | 66 65 m 1H | 65 65 s 1H | 57 57 dd 1H J 47 89 | 50 49 d 2H J 53 | 47 46 d 2H J 9 | 38 38 d 6H J 40 | 38 37 m 3H | 36 35 m 2H | 33 32 ttd 1H J 9 37 67 | 22 21 ddt 1H J 32 62 143 | 19 18 m 1H | 19 18 d 2H J 68 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCCCCCCC(F)CO | ir: 4 4 3 2 2 4 2 2 2 2 2 3 2 1 2 3 2 1 1 1 5 5 5 2 2 1 1 2 2 3 8 8 3 1 1 1 2 3 2 1 2 1 1 1 1 1 1 1 2 1 2 3 3 3 3 2 2 1 1 2 1 2 1 2 1 1 2 4 5 3 2 9 4 6 14 12 5 3 2 2 3 4 3 9 18 28 65 100 51 27 12 10 18 31 4 4 2 2 2 1 1 2 2 2 3 7 10 8 2 2 2 1 1 2 2 3 2 4 6 5 7 5 5 3 2 2 1 2 3 2 1 1 1 1 2 1 2 15 12 2 3 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 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 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 10 6 5 3 6 5 6 16 6 5 25 41 7 11 3 2 4 6 9 9 11 19 36 12 4 2 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 59 57 m 1H | 51 51 m 1H | 50 49 ddt 1H J 13 24 172 | 46 45 tt 0H J 47 64 | 45 44 tt 1H J 46 64 | 39 38 dddd 1H J 46 64 128 211 | 38 37 td 1H J 40 65 | 37 35 dddd 1H J 47 65 128 212 | 21 20 tdt 2H J 14 68 82 | 18 17 ddtd 1H J 64 86 150 170 | 16 14 m 2H | 14 12 m 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc(S(=O)(=O)n2ccc3c4c(ccc32)CCC(=O)C4)cc1 | ir: 2 1 1 2 2 1 1 11 6 46 15 3 21 10 26 18 8 5 1 1 16 3 1 5 2 18 14 1 1 1 3 22 3 3 3 0 4 7 4 0 0 1 2 1 1 2 1 0 1 0 2 3 9 16 19 16 2 1 1 1 7 4 50 8 3 4 2 2 2 7 3 2 1 2 1 2 1 4 2 0 6 8 1 3 100 9 0 4 7 3 2 2 5 24 30 7 6 2 3 3 11 13 4 4 1 1 1 1 1 1 2 1 2 1 1 1 1 4 10 10 5 21 8 5 3 15 10 4 2 1 1 2 1 1 0 1 1 1 6 21 1 2 5 7 11 45 9 11 15 2 2 3 3 3 4 17 2 1 1 0 7 0 2 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 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 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 1 2 4 2 3 2 2 2 2 5 7 19 12 52 18 62 14 11 11 7 6 2 3 2 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 80 | 78 77 m 2H | 73 73 d 1H J 59 | 73 72 d 1H J 58 | 72 72 dt 2H J 12 95 | 71 70 dt 1H J 9 79 | 38 38 s 2H | 30 29 m 2H | 29 28 m 2H | 24 24 d 3H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4S[C@H]3C[C@@H]12 | ir: 4 2 0 3 11 2 3 5 4 6 7 6 6 8 14 7 6 4 8 7 4 5 7 11 20 11 10 4 3 9 3 11 5 3 12 3 4 9 8 13 33 32 12 10 4 1 2 19 3 1 19 39 24 26 4 3 4 3 3 2 2 3 1 3 3 2 2 4 2 2 3 2 1 2 4 2 2 7 6 10 17 9 7 7 9 11 11 19 24 10 10 9 11 14 12 8 6 6 6 12 11 14 5 19 31 6 4 2 2 3 2 3 7 3 8 11 4 3 2 7 3 3 3 2 2 1 2 1 2 1 1 1 2 2 1 1 3 17 11 4 5 3 1 1 3 1 3 6 2 1 1 1 1 9 2 1 3 49 24 5 27 3 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 1 2 4 3 2 2 1 4 3 2 7 7 50 100 23 8 10 44 64 46 15 4 2 1 1 2 2 5 27 4 2 1 1 2 2 0 1 1 1 0 2 43 28 2 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 95 95 s 1H | 79 79 s 2H | 73 72 dd 1H J 73 84 | 70 70 dd 1H J 13 73 | 68 67 dd 1H J 11 84 | 51 50 s 1H | 48 47 ddd 1H J 26 44 70 | 40 39 dp 1H J 16 112 | 29 28 dddd 1H J 26 49 76 112 | 26 25 dt 1H J 47 130 | 24 23 d 6H J 14 | 23 22 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N=C(N)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1 | ir: 10 10 12 10 11 10 11 17 15 17 16 14 14 22 14 18 14 12 14 18 17 12 12 12 11 9 10 10 10 9 9 10 10 10 10 11 10 10 9 18 12 10 12 36 14 0 97 6 23 15 12 8 10 14 11 10 10 15 10 8 9 11 15 12 10 10 10 9 10 12 11 13 12 10 10 9 10 10 11 10 41 14 10 9 11 11 13 9 10 10 9 9 10 9 9 12 13 10 9 9 10 10 9 10 12 20 9 10 9 10 10 10 20 16 19 10 12 14 17 14 9 10 11 10 9 10 13 10 10 9 9 9 9 9 9 10 10 11 11 13 13 37 12 10 10 35 9 15 12 18 10 13 22 10 16 11 11 9 9 10 9 9 9 10 15 10 10 12 21 34 16 12 10 9 10 10 10 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 9 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 10 10 9 9 10 10 14 22 29 13 17 14 65 22 12 16 10 13 11 10 12 26 38 35 16 11 10 13 10 12 12 20 100 29 12 10 11 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9; 1HNMR: 96 96 s 1H | 87 86 dd 1H J 16 40 | 82 82 dt 1H J 18 82 | 79 78 m 2H | 77 77 dt 1H J 15 84 | 76 75 m 3H | 75 74 t 1H J 87 | 74 73 dd 1H J 12 89 | 72 71 s 1H | 71 70 s 1H | 56 56 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1c(CCc2ccc(F)cc2)cc(Cl)cc1C(N)=O | ir: 2 2 5 2 2 1 1 2 2 4 2 2 2 5 8 3 6 11 2 7 4 3 4 9 3 2 1 2 1 1 1 2 4 2 6 13 3 5 2 1 2 3 4 29 9 2 1 2 2 2 1 2 2 5 4 12 3 2 1 1 1 2 2 3 2 2 3 8 3 2 1 1 1 1 1 1 3 3 2 1 1 1 1 1 1 3 3 1 2 2 2 2 2 3 2 2 3 2 2 1 1 5 2 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 5 1 1 2 2 3 2 1 2 1 1 1 1 1 1 1 7 2 2 1 1 1 1 2 3 2 2 5 5 3 2 11 8 3 1 1 5 6 2 100 1 1 4 2 0 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 4 10 20 5 3 2 2 1 1 2 2 1 1 1 1 1 1 1 1 4 6 2 1 1 1 1 1 1 1 1 1 2 3 41 9 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 20 | 72 72 s 2H | 72 71 ddt 2H J 9 35 82 | 71 70 m 3H | 39 39 s 2H | 31 30 tt 2H J 8 78 | 29 28 tq 2H J 8 79 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSc1nc(SC)c2ccc(C3=NNC(=O)CC3C)cc2n1 | ir: 1 2 2 2 3 4 3 3 6 3 3 6 5 2 2 2 3 3 2 3 5 6 4 5 4 5 4 19 26 17 25 11 6 5 8 2 2 3 3 2 10 5 2 2 2 2 2 2 3 11 4 20 50 45 5 3 5 5 5 3 3 5 2 1 2 4 4 12 24 28 5 4 3 3 2 2 2 3 3 4 2 2 2 2 2 2 1 2 2 3 3 3 3 2 4 3 4 5 14 4 3 2 2 3 6 3 4 6 6 8 5 3 2 10 22 36 22 10 20 16 22 10 6 6 4 4 3 4 6 6 15 6 3 4 6 5 12 36 0 30 39 4 3 5 12 42 15 4 3 7 13 3 3 5 8 10 20 5 100 4 2 2 2 2 2 2 9 4 2 2 2 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 3 2 2 2 2 3 2 3 3 3 2 4 5 4 4 3 4 7 17 34 18 8 24 13 9 3 3 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 2 4 4 3 10 24 7 3 2 1 2 2 2 2 2 2 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 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 94 93 s 1H | 86 86 d 1H J 22 | 83 82 d 1H J 88 | 80 80 dd 1H J 21 89 | 34 33 h 1H J 65 | 27 26 m 6H | 23 22 dd 1H J 67 151 | 11 11 d 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2CC1 | ir: 3 7 4 3 3 6 5 8 8 12 29 6 22 11 100 3 4 3 3 4 2 5 4 21 2 2 3 2 2 13 5 5 7 6 7 2 3 28 7 9 7 5 3 3 3 3 2 1 3 3 2 2 2 4 4 3 3 3 2 2 2 5 15 0 12 7 5 13 4 9 2 3 5 5 4 5 3 16 7 2 5 3 2 1 49 78 10 34 9 4 2 3 3 2 2 2 3 6 5 5 6 4 16 4 2 2 2 2 3 3 3 5 29 7 3 5 5 5 8 12 34 9 9 33 8 6 3 3 3 6 3 4 6 8 26 18 8 8 9 4 4 5 11 15 5 5 6 1 2 9 6 17 5 0 1 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 3 2 2 3 4 3 3 4 4 3 2 3 5 3 8 18 9 20 56 55 19 8 6 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 81 81 d 1H J 22 | 80 80 d 1H J 22 | 79 78 dt 2H J 11 79 | 76 75 m 3H | 41 40 q 2H J 65 | 37 36 dt 4H J 66 95 | 31 31 t 2H J 65 | 29 28 t 2H J 67 | 12 12 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
OCCCCCCNc1ccc2ncnn2n1 | ir: 3 3 5 2 2 4 6 6 4 5 2 3 5 12 14 4 7 3 2 4 4 8 3 2 8 4 3 2 4 8 8 5 10 9 11 18 7 16 27 16 10 6 10 10 7 24 32 11 6 8 4 1 2 3 7 29 12 12 7 9 9 9 8 11 6 7 10 9 4 2 3 1 4 3 2 2 5 5 3 3 3 3 3 4 6 4 7 10 24 26 16 20 19 22 17 18 7 6 8 19 10 7 5 15 12 42 73 71 65 15 16 22 19 26 34 22 6 24 18 81 15 14 15 19 8 4 8 9 40 20 1 3 3 1 1 2 3 3 1 4 3 1 1 3 3 3 3 16 49 3 4 4 2 0 2 2 2 0 1 2 1 0 1 2 1 0 1 2 2 0 3 22 2 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 3 3 2 2 3 2 2 1 3 3 3 10 43 43 15 9 18 7 6 9 6 7 35 51 23 36 100 80 16 17 11 6 9 12 21 7 8 3 2 5 5 3 5 9 21 28 43 7 9 8 3 4 3 1 1 2 2 1 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 79 s 1H | 79 78 d 1H J 93 | 72 71 d 1H J 93 | 66 66 t 1H J 41 | 36 35 q 2H J 58 | 34 34 td 2H J 42 51 | 28 27 t 1H J 59 | 16 15 m 4H | 14 13 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Nc1nccs1)C(c1ccc(Cl)c(Cl)c1)S(=O)C1CCCC1 | ir: 1 1 1 1 3 2 3 2 6 4 2 2 1 1 2 2 10 10 9 6 1 4 8 4 1 2 4 5 4 10 15 18 51 17 19 13 10 2 33 42 21 22 18 68 40 22 11 15 8 16 8 19 37 92 34 8 7 11 12 5 9 7 3 1 2 3 5 8 17 6 2 0 1 1 1 1 1 2 1 2 10 2 1 1 5 8 5 3 2 2 4 9 13 6 4 11 5 4 22 11 10 18 23 8 1 4 8 8 18 9 5 6 6 6 2 5 2 4 2 14 8 3 1 1 5 2 2 3 2 2 0 2 2 1 1 1 3 11 1 2 3 1 8 6 17 85 33 49 73 79 54 5 16 14 2 1 0 2 1 1 10 2 2 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 0 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 2 3 2 9 8 2 8 12 8 18 26 5 62 100 37 7 6 3 2 1 2 2 2 0 2 2 1 1 1 1 1 1 2 3 3 25 98 21 25 60 9 4 3 4 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 1H | 75 75 d 1H J 44 | 75 74 d 1H J 75 | 74 74 m 1H | 72 71 d 1H J 44 | 51 51 m 1H | 30 29 p 1H J 52 | 20 19 ddtd 2H J 19 54 72 104 | 18 17 m 4H | 17 16 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1c2c(nc3ccccc13)C(O)CCNC2 | ir: 4 2 1 2 4 3 2 12 12 18 14 9 3 3 5 5 6 4 7 29 4 2 8 2 2 2 3 7 4 2 1 3 2 11 2 2 8 2 1 2 9 1 4 30 10 4 2 4 10 11 14 7 5 9 3 2 3 4 2 2 2 3 4 6 6 5 2 3 4 13 25 3 4 3 5 4 2 3 1 2 4 2 2 1 4 4 1 0 33 100 32 13 3 1 5 5 2 1 4 2 1 1 2 2 2 2 3 4 4 15 7 4 5 8 96 12 6 11 5 2 2 3 4 4 2 3 8 7 12 14 2 3 3 2 2 6 2 4 3 4 4 2 2 2 2 3 4 4 5 9 15 5 4 4 37 3 2 3 5 1 2 2 2 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 3 2 2 3 2 5 7 6 11 51 19 4 3 1 2 4 33 25 2 1 1 2 1 1 2 1 2 3 16 63 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; 1HNMR: 80 79 m 2H | 77 76 td 1H J 12 71 | 75 74 ddd 1H J 14 70 84 | 50 49 td 1H J 53 66 | 40 39 d 1H J 53 | 39 38 m 2H | 37 36 tt 1H J 51 67 | 32 31 m 1H | 31 30 m 1H | 24 23 s 2H | 22 21 dtd 1H J 59 65 155 | 20 19 dtd 1H J 59 65 155 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc(N)ccc1OC[C@H](O)C1CC1 | ir: 35 36 24 28 2 20 27 19 16 9 6 6 6 7 5 7 7 8 6 5 6 7 6 5 5 4 4 6 5 4 4 4 5 4 8 9 9 5 6 6 8 9 7 7 7 5 5 4 4 5 4 6 7 14 29 12 7 5 10 8 5 4 5 5 5 6 14 26 14 6 5 6 6 5 7 6 4 4 5 8 9 5 4 5 7 10 12 15 39 49 22 14 6 5 9 6 3 4 5 4 3 5 5 4 3 4 6 5 4 4 5 3 2 4 5 3 2 4 5 4 4 4 6 4 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 5 3 5 5 4 4 5 5 5 7 13 15 40 54 11 7 3 4 4 5 15 8 6 4 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 5 4 4 4 4 3 4 5 5 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 4 3 4 6 4 4 4 8 6 3 15 14 12 6 6 13 8 6 55 47 31 8 6 5 4 4 5 7 3 100 64 0 6 5 3 3 4 4 4 4 28 36 58 7 4 4 3 4 3 3 3 3 3 4 3 3 4 4 4 4 4 4 4 4 3 3 4 4 3 4 4 4 3 4 4 3 4 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 68 67 d 1H J 88 | 62 62 d 1H J 22 | 62 62 dd 1H J 21 87 | 43 42 dd 1H J 35 117 | 42 42 s 2H | 40 40 dd 1H J 36 118 | 39 39 s 2H | 36 35 ddt 1H J 35 44 68 | 35 34 d 1H J 44 | 15 14 dp 1H J 58 66 | 6 5 m 2H | 4 3 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)C1CCN(c2ccc(C(=O)O)cc2S(C)(=O)=O)C(N)C1 | ir: 1 2 4 4 1 1 2 8 2 2 4 6 3 5 12 5 4 10 3 3 12 41 24 6 1 1 0 1 1 1 1 1 1 1 1 1 1 0 3 2 1 1 0 1 0 1 1 1 1 1 1 0 0 1 2 6 1 6 7 7 2 2 3 2 1 2 7 4 2 1 1 1 3 4 10 9 27 26 6 5 7 2 3 19 4 12 13 5 6 1 1 1 1 2 2 2 1 3 1 1 1 4 7 4 6 3 1 1 1 1 0 5 1 4 2 3 1 5 15 5 5 4 4 4 1 3 4 5 4 4 3 11 10 2 3 1 1 0 0 1 1 0 0 3 19 8 11 2 2 1 1 3 2 0 0 0 1 2 0 1 0 0 0 0 2 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 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 2 9 3 3 8 13 7 1 2 2 0 0 1 2 14 100 22 27 4 5 8 4 4 3 2 1 2 11 16 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 22 | 80 80 dd 1H J 22 81 | 72 71 d 1H J 81 | 44 43 p 1H J 55 | 38 37 ddd 1H J 60 88 128 | 35 34 ddd 1H J 60 88 126 | 32 31 s 3H | 30 30 d 2H J 56 | 29 28 m 1H | 24 22 m 2H | 21 20 ddd 1H J 53 66 137 | 20 19 ddt 1H J 59 88 123 | 13 13 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC1(N)C(=O)NC(=O)N(c2ccccc2)C1=O | ir: 2 4 2 2 1 2 2 3 1 1 1 1 1 1 2 1 0 1 1 1 1 2 1 1 0 1 1 1 2 3 5 3 5 1 4 1 3 1 1 6 9 9 7 2 2 0 1 2 3 0 1 4 11 7 13 7 92 38 80 9 5 22 15 37 10 6 3 3 3 5 2 1 4 3 2 1 3 6 1 5 2 2 1 0 1 1 5 17 10 2 1 1 2 2 0 1 3 5 2 1 2 1 0 1 2 2 0 1 2 1 0 1 2 3 11 3 2 1 0 5 4 3 0 2 4 2 2 4 4 5 11 5 9 9 19 17 27 3 1 2 2 1 5 10 5 1 3 2 2 1 2 8 11 9 3 7 1 0 1 3 4 15 18 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 1 3 1 0 1 1 1 0 1 2 2 3 5 6 14 6 15 2 2 2 2 1 1 1 1 1 1 5 5 22 42 14 4 4 2 3 5 46 100 43 4 5 3 1 1 1 1 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 2H | 74 73 m 3H | 41 40 s 2H | 22 21 m 1H | 20 19 m 1H | 10 10 t 3H J 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NCC(C(=O)O)c1ccccc1 | ir: 1 1 1 1 2 6 5 2 2 1 1 2 5 7 6 8 19 2 1 21 100 28 6 1 2 4 3 1 1 5 8 11 1 2 2 1 2 2 2 2 12 5 3 1 1 2 1 1 1 3 1 2 8 23 8 3 1 2 2 1 2 1 2 2 2 1 1 2 2 2 10 14 2 3 19 12 12 17 41 6 2 3 20 6 9 5 2 1 1 2 2 2 1 1 2 5 5 3 2 2 1 1 1 1 1 1 1 1 1 5 1 3 1 1 1 1 2 1 1 2 5 8 5 3 2 3 3 4 5 11 5 3 2 8 15 33 6 2 2 2 2 2 6 26 17 4 1 3 2 1 1 2 4 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 3 5 17 10 3 1 1 1 2 1 0 16 15 2 9 8 11 30 7 3 4 3 2 4 23 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 6H | 37 36 dd 1H J 47 54 | 34 34 m 1H | 33 32 dd 2H J 62 69 | 32 31 dddd 1H J 49 60 70 119 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2c(cc1OC)C(=O)C(CC1C=CN(Cc3ccccc3C)C=C1C(C)=O)C2 | ir: 5 4 3 5 7 3 1 5 14 8 7 9 8 4 4 4 6 2 2 4 7 4 3 4 5 2 2 8 14 4 2 6 6 5 5 8 5 2 3 10 19 19 23 16 8 2 4 3 3 1 2 4 2 2 3 4 3 2 3 6 4 3 4 5 4 2 3 10 17 8 7 5 6 3 4 6 2 1 3 3 1 1 3 3 1 2 3 5 24 15 10 11 4 7 4 5 2 7 5 4 2 7 5 4 1 6 6 4 2 5 5 3 1 4 9 14 9 6 8 7 5 5 9 7 5 4 7 6 5 9 12 4 3 4 4 4 26 22 7 2 2 9 9 19 38 22 6 3 4 6 4 18 5 7 4 1 1 3 5 2 2 4 6 3 12 6 2 0 2 4 2 0 2 4 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 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 2 3 1 1 3 2 1 1 3 3 1 1 3 2 1 2 3 2 1 2 5 3 2 4 9 6 5 4 13 9 4 37 100 9 10 6 4 3 2 3 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1; 1HNMR: 73 73 s 1H | 72 71 m 4H | 71 70 dq 1H J 10 20 | 68 68 d 1H J 9 | 61 61 ddq 1H J 10 20 105 | 58 58 ddt 1H J 9 75 102 | 51 51 q 2H J 9 | 39 38 d 6H J 55 | 35 34 qt 1H J 18 75 | 33 33 tt 1H J 60 77 | 31 30 ddd 1H J 8 59 143 | 28 27 ddd 1H J 9 60 143 | 24 23 d 3H J 6 | 22 21 s 2H | 21 20 dtd 1H J 9 75 121 | 19 18 dtd 1H J 9 75 123 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3C#N)cc1)c(=O)n2CCc1ccccc1 | ir: 2 3 2 4 2 2 1 1 3 3 1 3 2 10 2 2 1 3 1 1 1 1 1 8 5 8 6 2 5 5 11 10 5 1 3 5 3 12 15 26 36 38 19 32 50 11 9 15 7 2 3 11 2 3 8 32 18 4 3 4 1 1 2 2 1 2 2 2 3 2 5 7 5 2 8 16 3 2 5 2 2 0 2 2 1 3 2 3 7 23 3 2 6 6 1 2 2 20 3 4 2 1 1 1 1 1 1 1 1 3 3 4 3 3 4 5 2 3 5 13 4 11 3 6 8 2 1 1 4 2 4 4 3 2 4 16 36 9 45 27 0 3 12 4 2 3 9 13 3 4 2 3 9 3 3 7 1 26 3 2 1 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 2 11 1 0 0 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 3 3 1 2 3 3 0 3 7 13 12 36 100 57 27 4 2 3 3 3 2 2 2 1 0 1 1 1 1 0 1 0 0 1 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 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; 1HNMR: 78 77 ddd 2H J 14 69 89 | 76 75 m 3H | 75 75 ddd 1H J 14 63 74 | 75 74 dt 2H J 9 84 | 73 73 m 2H | 73 72 m 1H | 72 72 ddt 2H J 9 16 79 | 68 68 t 1H J 9 | 52 52 t 2H J 9 | 43 43 t 2H J 63 | 30 29 tt 2H J 9 63 | 28 27 qd 2H J 9 68 | 13 13 t 3H J 68 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCOC(=O)c1c(Oc2nc(OC)cc(OC)n2)ccc2oc(C)c(C(=O)Cl)c12 | ir: 5 3 3 6 7 9 7 3 18 8 5 6 3 11 3 6 2 3 7 3 7 15 13 9 3 4 6 9 9 6 4 7 14 2 9 4 2 3 2 1 2 3 4 1 2 4 5 1 7 6 4 19 57 65 8 43 12 9 7 2 6 18 6 14 69 50 17 33 9 28 66 4 8 8 3 2 4 4 8 1 3 2 2 1 3 3 1 1 7 21 1 8 5 2 1 2 2 2 1 2 2 2 2 15 6 3 4 31 3 2 1 2 4 2 4 4 17 7 5 6 6 9 1 7 3 1 1 4 3 4 7 7 3 3 0 5 21 23 6 8 5 5 49 31 56 90 100 14 10 2 2 10 3 0 3 26 20 36 6 0 17 3 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 2 2 2 2 2 2 3 3 2 3 6 7 12 14 8 23 20 50 5 5 8 5 4 5 2 2 2 2 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 d 1H J 84 | 70 70 d 1H J 86 | 61 60 ddt 1H J 57 115 172 | 55 55 s 1H | 54 53 ddt 1H J 13 25 170 | 53 52 m 1H | 49 48 dt 2H J 14 56 | 40 40 s 5H | 26 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=O)C(Br)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1 | ir: 8 17 29 10 23 9 34 23 12 9 0 8 14 24 37 17 41 17 6 7 11 8 14 16 8 3 2 8 8 2 2 8 10 6 7 35 22 9 4 12 8 2 4 10 10 5 6 9 6 2 14 18 18 2 7 18 14 25 17 26 8 1 17 40 25 38 29 19 17 13 25 12 9 4 9 16 12 83 86 36 43 14 10 32 17 18 92 70 100 16 17 9 28 37 15 14 4 8 19 23 26 8 10 6 8 10 22 13 3 5 9 7 25 8 12 8 7 15 16 9 3 7 11 18 28 9 13 9 1 27 14 6 2 7 7 2 1 15 33 49 20 30 11 4 4 7 7 6 9 9 8 1 3 11 7 1 3 8 5 1 4 8 5 0 4 8 5 0 4 8 4 0 4 8 4 0 5 8 4 1 5 8 3 1 5 7 3 1 5 7 3 1 6 7 2 2 6 6 2 2 6 6 2 2 6 6 2 3 7 5 1 3 7 5 1 3 7 5 1 4 7 5 1 4 8 4 0 4 8 4 0 4 8 4 1 5 8 4 1 5 7 3 1 5 7 3 2 6 7 3 2 6 6 3 2 6 6 2 2 6 6 2 3 6 5 2 3 7 6 2 5 8 6 2 5 10 7 3 7 15 10 6 8 20 23 12 34 16 40 7 8 10 5 2 6 7 4 2 5 7 3 2 5 7 3 2 5 6 3 2 6 6 2 2 6 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 7 5 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 6 6 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 4 1 4 7 4 1; 1HNMR: 79 78 dd 1H J 8 21 | 77 76 d 1H J 84 | 75 74 m 1H | 59 58 tp 1H J 8 16 | 32 31 m 4H | 26 25 m 4H | 23 22 m 6H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1c(C)cccc1C1CC1(Cl)Cl | ir: 1 0 0 0 0 1 1 1 1 0 4 1 0 1 0 4 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 2 0 1 0 0 4 31 9 5 2 2 1 18 100 10 55 15 8 2 1 0 0 0 1 0 0 1 0 1 2 7 6 2 1 1 1 1 1 2 2 1 2 1 3 5 1 1 0 1 2 1 2 2 1 0 1 0 0 3 3 1 1 6 2 1 1 1 2 0 1 6 4 3 10 11 3 2 4 12 5 1 3 0 1 1 1 2 2 1 1 0 0 0 0 2 2 2 1 2 1 0 2 2 3 14 9 3 3 16 5 1 2 11 12 1 1 1 1 1 9 1 2 0 2 2 14 1 1 1 2 14 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 1 1 1 0 1 1 1 2 8 10 3 7 34 75 30 9 10 6 5 4 3 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 1H | 71 70 m 2H | 39 38 s 3H | 32 32 m 1H | 22 21 s 3H | 21 20 dd 1H J 31 62 | 18 18 dd 1H J 29 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCc1c(OCCCN2C(=O)N(CCCC(=O)O)C(C)(C)C2=O)ccc2c(C(F)(F)F)noc12 | ir: 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 4 7 8 3 3 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 7 6 2 2 2 4 3 2 1 1 2 2 2 1 1 1 1 1 2 2 2 3 2 1 1 2 2 1 1 1 1 1 1 2 3 3 6 4 3 2 1 1 1 2 2 2 2 1 4 1 1 2 2 2 3 2 3 2 2 2 1 1 1 1 1 2 1 2 2 2 2 1 2 2 2 2 4 2 5 1 2 2 1 1 2 2 2 2 3 2 2 1 4 2 1 3 1 2 2 3 10 3 3 2 2 1 2 1 1 1 2 2 25 4 0 1 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 2 3 6 3 2 2 3 2 2 1 2 2 2 4 33 100 3 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; 1HNMR: 75 74 d 1H J 84 | 67 67 d 1H J 84 | 41 41 t 2H J 65 | 38 38 t 2H J 62 | 35 35 t 2H J 66 | 30 30 t 2H J 63 | 24 23 t 2H J 89 | 22 21 p 2H J 64 | 19 18 tt 2H J 66 89 | 16 15 qt 2H J 64 76 | 15 14 s 5H | 11 10 t 3H J 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)C(C)(C)CC1CCNCC1 | ir: 5 9 7 4 10 6 6 6 3 6 14 7 5 8 7 12 27 8 3 4 2 5 9 5 1 1 1 3 12 12 2 1 1 1 1 1 1 1 2 1 2 5 10 3 5 4 3 4 12 27 40 5 11 6 2 2 5 8 2 1 1 2 3 4 4 5 13 7 24 33 6 2 1 2 3 3 5 2 6 4 1 1 2 2 9 27 5 2 2 2 3 4 6 4 10 1 5 3 2 1 2 2 1 1 2 1 1 1 1 3 3 5 12 10 78 100 26 19 17 7 18 6 5 10 3 5 13 15 10 28 26 13 4 2 2 2 3 1 1 3 4 1 3 14 16 25 20 6 4 3 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 2 3 2 2 3 3 3 3 2 3 2 3 5 7 9 24 9 4 4 3 2 1 1 1 1 1 1 1 1 2 1 2 2 3 4 7 4 46 90 13 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 37 36 s 3H | 34 33 p 1H J 39 | 28 27 dddd 2H J 20 40 48 134 | 27 26 dddd 2H J 21 39 49 135 | 18 16 m 6H | 14 13 dddd 2H J 21 48 58 130 | 12 11 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1ccc2nnc(C(=O)N3CCC(c4cccc(Cl)c4C(F)(F)F)CC3)n2c1 | ir: 15 11 9 7 12 14 6 9 11 8 6 10 24 21 14 9 9 11 6 8 7 4 2 6 6 3 2 13 7 3 5 12 19 9 37 50 12 3 5 40 43 9 11 32 44 11 49 81 65 9 10 12 6 0 5 13 5 2 6 19 29 10 6 14 17 21 24 11 7 1 6 8 5 2 5 9 3 2 5 8 4 4 6 6 2 2 8 6 8 17 33 6 6 6 6 8 4 26 65 55 6 26 15 10 20 61 21 18 9 16 12 52 55 27 10 11 6 12 16 8 6 23 31 42 58 8 10 12 15 10 12 12 8 40 10 4 6 30 28 32 26 23 11 7 7 15 9 8 89 12 7 2 3 9 51 72 25 19 15 1 3 42 50 3 4 7 4 0 3 6 3 0 3 6 3 0 4 6 3 0 4 6 2 9 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 1 2 5 5 2 2 5 4 1 2 6 4 1 3 6 4 1 3 6 3 1 3 6 3 0 3 6 3 0 3 6 3 1 3 6 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 5 5 2 3 7 5 5 7 10 12 7 8 11 6 7 6 10 18 20 23 41 100 46 33 79 24 6 6 8 7 3 6 8 4 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 92 91 d 1H J 15 | 80 79 dd 1H J 13 77 | 79 79 d 1H J 77 | 74 74 dd 1H J 13 71 | 74 73 t 1H J 71 | 72 71 m 1H | 40 39 ddd 2H J 57 84 123 | 38 37 ddd 2H J 57 84 123 | 32 31 m 1H | 22 21 ddt 2H J 55 84 128 | 20 19 ddt 2H J 54 84 128 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#CCc1cccc(OCC(F)(F)F)n1 | ir: 6 3 1 1 4 11 4 3 1 7 3 4 5 5 2 2 1 1 1 0 0 2 1 0 0 0 1 1 2 2 1 1 7 12 4 2 6 2 1 0 2 6 3 1 3 10 100 22 4 7 1 8 4 2 3 3 4 1 2 1 1 2 3 2 5 2 1 1 6 1 1 1 1 1 0 0 1 3 6 18 11 4 2 0 1 1 1 1 1 7 9 9 1 3 2 1 1 2 1 5 5 25 8 3 2 9 23 3 13 1 1 1 1 1 1 1 1 2 5 2 6 5 6 2 1 2 3 6 5 4 4 4 1 2 3 3 2 33 25 20 7 3 1 3 5 6 1 1 1 1 1 0 1 3 3 9 16 0 1 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 1 1 0 25 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 1 1 0 0 1 1 1 1 3 3 3 2 2 1 1 3 3 2 2 16 4 2 32 9 4 2 3 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 t 1H J 77 | 73 72 dq 1H J 9 75 | 68 68 dd 1H J 12 80 | 50 49 q 2H J 130 | 39 39 d 2H J 10 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cccc2c1CCN(C(=O)c1cc3ncc(Cl)cn3n1)N2C | ir: 4 2 0 3 4 5 10 8 7 2 5 7 5 10 23 11 11 11 4 14 18 71 13 5 2 8 25 10 5 5 3 2 3 8 19 10 17 7 3 2 3 3 2 4 24 8 100 93 57 31 6 5 4 5 4 11 4 8 2 5 4 6 7 6 31 11 7 15 26 19 7 2 18 18 23 19 8 6 8 8 9 6 3 4 12 8 3 3 3 11 15 22 2 8 9 4 4 24 13 4 6 4 1 41 11 3 3 3 2 8 7 20 34 11 6 7 6 7 2 15 49 8 87 16 12 7 17 24 12 19 9 7 5 2 3 2 2 3 4 8 9 15 5 2 6 4 4 2 3 7 7 17 30 13 3 5 8 3 60 14 3 7 97 13 6 3 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 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 3 3 5 3 3 7 5 3 6 4 5 10 11 34 9 9 81 31 12 17 44 18 7 5 6 4 1 3 3 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2; 1HNMR: 91 91 d 1H J 14 | 84 84 d 1H J 14 | 72 71 t 1H J 81 | 69 69 s 1H | 68 67 dd 1H J 11 79 | 67 66 dd 1H J 13 82 | 41 40 t 2H J 47 | 38 38 s 3H | 35 34 s 3H | 31 31 td 2H J 12 44 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)N1CCC(NC(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)CC1 | ir: 6 3 4 4 6 4 7 8 1 2 9 5 6 6 2 1 2 3 11 4 2 10 15 18 84 9 2 2 2 3 2 2 1 1 1 1 2 4 22 6 7 10 17 100 5 8 5 3 1 1 1 3 3 6 2 0 1 14 1 3 11 3 3 3 2 9 5 0 3 3 1 1 1 1 1 6 5 8 2 2 2 8 4 7 10 5 1 2 8 10 2 3 4 2 1 1 1 3 4 7 2 1 1 1 1 1 4 7 5 2 5 7 40 24 3 11 6 6 1 2 5 2 2 4 8 13 57 15 8 5 7 4 3 6 10 5 5 5 1 2 8 27 32 99 13 8 3 3 15 12 7 1 2 2 1 1 1 1 2 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 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 1 1 1 1 2 2 2 1 2 2 3 1 2 2 8 18 12 11 36 32 20 13 18 5 2 1 1 1 2 2 1 1 1 1 2 1 3 2 3 3 3 6 24 87 12 45 19 6 1 1 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 75 74 d 1H J 73 | 74 73 m 6H | 70 69 d 1H J 77 | 54 53 d 2H J 8 | 39 38 dp 1H J 47 75 | 29 28 m 3H | 27 26 ddd 2H J 53 81 127 | 21 20 ddt 2H J 48 81 129 | 18 17 m 2H | 11 11 d 6H J 68 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1ccccc1NC(Cc1ccccc1)c1ccccc1 | ir: 1 0 1 1 2 1 2 2 3 2 4 3 3 3 3 4 3 7 3 5 7 4 4 5 2 3 3 4 3 3 9 10 11 4 3 3 1 8 4 6 7 13 16 8 5 2 1 1 1 1 0 1 0 0 1 1 1 0 1 1 0 1 1 1 1 2 1 2 2 3 2 4 1 2 4 3 2 2 2 1 1 1 1 1 2 2 1 0 1 3 1 1 1 0 2 1 1 2 3 2 1 0 1 0 0 1 2 2 2 2 1 1 1 1 1 3 1 2 4 3 1 2 2 2 2 2 1 2 3 6 1 2 2 5 6 6 2 12 10 2 1 1 14 8 4 2 10 10 8 3 3 5 6 2 1 4 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 2 3 8 2 17 100 40 6 3 2 1 2 1 0 1 1 1 0 0 1 1 0 1 1 2 2 1 1 2 4 12 23 23 3 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 8H | 71 71 ddq 2H J 8 16 62 | 71 70 td 1H J 11 80 | 70 69 dd 1H J 14 82 | 69 69 dd 1H J 12 81 | 68 67 td 1H J 15 81 | 50 49 m 1H | 39 39 d 1H J 84 | 38 38 s 2H | 32 31 ddt 1H J 9 62 141 | 29 29 ddt 1H J 9 63 142 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=Cc1cccc(-c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 | ir: 4 5 5 5 5 5 5 5 5 5 5 5 5 5 7 6 5 6 6 6 8 5 5 5 5 6 5 9 5 6 8 8 6 5 5 8 5 7 5 4 18 5 5 6 5 12 43 9 7 14 8 12 6 7 6 5 6 6 6 10 6 6 5 5 5 5 5 8 5 6 5 5 5 5 5 6 5 5 6 5 6 5 5 5 5 5 5 5 5 8 14 7 6 6 5 6 6 5 5 6 6 7 5 5 6 6 5 5 6 6 7 17 8 6 5 6 7 6 5 7 7 6 8 7 9 5 6 6 8 11 5 5 6 5 4 5 5 5 5 20 11 7 8 6 6 6 12 12 12 8 5 7 10 5 5 6 9 4 4 7 7 0 100 3 6 7 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 7 14 6 8 52 10 8 6 5 6 6 5 5 5 6 5 5 5 5 5 5 5 6 5 5 6 7 5 13 23 6 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5; 1HNMR: 100 100 s 1H | 81 81 t 1H J 22 | 79 78 m 1H | 78 77 ddd 1H J 13 22 75 | 76 75 m 3H | 75 74 t 1H J 78 | 73 72 ddt 1H J 9 20 77 | 37 37 d 2H J 9 | 26 25 m 2H | 25 25 t 2H J 58 | 18 17 m 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)c1cccc(Nc2nc(-c3ccncc3)cs2)c1 | ir: 3 3 3 5 14 4 1 2 1 2 5 16 44 7 16 7 2 3 3 1 2 3 10 33 6 4 3 2 1 4 5 13 4 1 1 1 2 1 2 0 1 1 1 1 2 9 16 34 18 3 2 3 5 1 3 3 4 5 5 4 3 2 5 1 2 2 4 7 4 5 1 2 2 3 10 13 16 3 3 3 3 4 7 21 10 4 1 1 2 2 1 1 1 2 2 6 5 4 4 3 1 5 19 5 2 2 12 10 45 8 1 1 2 2 2 1 1 1 2 3 2 3 1 2 5 6 10 6 3 2 2 3 3 3 1 1 1 2 16 10 6 19 23 9 5 2 47 5 4 3 2 0 1 12 5 2 6 7 4 4 2 2 3 8 19 4 2 13 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 2 1 0 1 1 1 0 1 2 2 1 3 5 8 7 27 100 29 15 26 2 2 3 1 1 2 2 3 3 2 2 1 1 2 2 1 1 3 6 13 26 65 23 11 5 5 4 3 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 97 s 1H | 87 86 m 2H | 79 79 m 2H | 75 74 ddd 1H J 12 22 75 | 74 74 s 1H | 73 73 t 1H J 22 | 73 72 t 1H J 75 | 71 70 ddd 1H J 12 21 75 | 13 13 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)C(C)(C)CNC(=O)C(F)(F)F | ir: 7 9 4 5 5 3 1 4 6 4 5 8 16 8 6 15 6 5 7 5 6 3 2 4 4 2 2 5 5 3 3 5 5 3 5 22 12 26 34 43 9 7 19 15 10 5 4 6 5 2 6 8 5 3 3 5 3 2 3 5 6 4 6 5 6 5 4 5 3 3 4 5 4 5 7 4 3 3 3 4 31 5 5 7 8 7 4 4 3 3 5 4 3 4 4 5 5 5 14 21 0 4 6 4 1 3 5 3 1 3 6 5 17 18 14 6 5 5 7 7 8 7 5 6 7 6 7 4 7 9 11 11 2 4 5 2 3 5 5 3 3 5 5 4 10 34 36 31 29 5 5 4 3 5 4 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 2 3 4 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 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 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 3 4 6 4 3 3 5 5 2 3 5 3 3 6 14 10 3 4 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 5 7 5 4 5 5 3 6 45 100 10 5 5 4 4 4 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 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; 1HNMR: 73 73 ddt 1H J 16 42 58 | 42 41 q 2H J 60 | 37 36 d 2H J 42 | 13 12 t 3H J 61 | 12 12 s 6H | 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(c2nc(C(F)(F)F)c[nH]2)CC1 | ir: 6 7 4 9 3 16 8 2 3 6 5 5 2 3 4 2 4 2 1 1 0 1 2 1 1 1 1 1 1 2 1 1 3 3 8 3 3 3 4 7 11 13 16 7 5 2 2 4 2 3 1 1 1 3 4 6 10 18 19 4 14 20 29 9 6 4 3 2 4 3 2 2 1 2 2 4 7 9 9 3 3 5 13 2 3 4 12 9 4 1 2 4 2 3 6 12 6 64 17 33 54 16 19 19 8 26 19 13 8 12 31 33 46 31 22 12 11 26 14 33 20 25 13 23 8 10 11 22 44 71 31 16 18 8 6 17 14 3 3 11 38 26 21 5 5 8 7 3 3 3 1 0 1 1 1 1 1 1 0 1 1 1 0 0 0 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 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 1 0 1 1 1 0 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 1 1 3 3 0 3 9 7 8 11 21 9 14 13 12 5 10 8 37 10 100 59 19 4 10 11 2 5 3 4 3 6 11 62 70 26 5 2 1 1 1 1 1 1 1 0 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 95 95 d 1H J 46 | 68 68 dq 1H J 20 41 | 39 38 ddd 2H J 64 92 123 | 38 37 ddd 2H J 64 92 123 | 33 32 p 1H J 44 | 22 21 dddd 3H J 46 66 91 137 | 20 19 dddd 2H J 45 65 91 137 | 15 14 s 7H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2cc(C3CCCC3)c3ccccc32)cc1 | ir: 13 10 4 4 1 4 3 2 3 5 7 3 8 13 19 23 14 5 5 3 4 7 7 3 2 3 3 7 3 9 62 13 6 7 1 6 6 9 20 21 17 23 23 22 5 3 4 2 6 6 6 6 7 6 27 33 12 6 5 5 10 3 4 2 10 10 14 8 8 9 9 2 2 2 3 5 6 9 2 3 3 2 1 4 31 29 18 9 5 6 1 2 3 2 1 2 14 23 4 16 14 9 14 2 4 3 2 3 4 3 4 2 4 2 2 3 3 2 3 5 7 8 4 7 5 7 7 5 3 4 4 2 1 2 2 1 1 2 2 2 1 16 100 45 34 14 9 11 7 4 2 56 13 1 2 11 2 1 1 2 2 4 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 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 2 1 2 1 1 2 4 5 5 17 2 42 82 57 16 21 7 6 5 2 1 2 2 1 2 2 2 1 2 2 2 2 3 2 6 4 17 21 5 2 1 2 1 1 1 1 1 0 1 1 1 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 m 2H | 80 80 dt 2H J 13 70 | 80 79 t 1H J 57 | 79 79 m 3H | 74 73 dddd 3H J 11 23 44 68 | 73 72 td 1H J 14 73 | 72 71 m 2H | 46 45 dt 2H J 9 58 | 33 33 m 1H | 20 19 m 2H | 18 16 m 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COCOCCc1ccc(Oc2ccccc2)cc1Br | ir: 3 2 2 2 4 2 7 3 2 2 3 2 2 1 3 1 1 2 1 1 3 1 1 1 1 1 1 1 2 3 9 8 3 3 4 3 4 7 11 11 20 63 86 13 11 3 7 21 2 1 2 0 3 3 23 16 5 3 2 2 1 2 2 2 8 12 12 19 33 8 22 11 8 20 16 7 4 6 5 2 3 1 2 1 1 1 9 3 1 0 2 5 15 4 6 3 1 2 2 1 0 1 1 0 0 0 1 1 0 5 2 5 1 1 3 2 0 1 1 1 1 1 3 2 2 2 2 1 1 2 1 1 1 2 5 100 15 1 2 1 7 11 6 18 23 15 4 0 4 26 6 21 33 9 2 2 1 1 1 2 4 4 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 1 2 1 1 2 3 2 2 2 1 2 1 2 4 16 7 15 27 71 60 14 9 8 2 1 1 1 2 3 1 1 0 0 0 1 0 1 1 0 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 71 71 tt 1H J 14 75 | 71 70 m 4H | 69 68 dd 1H J 22 82 | 44 44 s 2H | 38 37 t 2H J 60 | 33 33 s 2H | 29 29 td 2H J 9 60 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Brc1ccc(CNCCC2CCCCC2)cn1 | ir: 1 2 2 10 4 1 0 1 2 1 0 1 2 1 0 1 3 2 0 1 2 1 0 2 2 0 12 2 7 1 1 2 2 3 26 9 4 2 1 3 3 8 14 17 35 54 6 11 7 5 3 8 9 11 9 13 4 1 2 14 6 2 1 2 2 4 2 7 12 25 3 3 11 6 3 2 2 4 2 2 1 1 2 2 1 1 1 3 5 0 2 2 1 2 3 6 4 3 2 1 1 1 3 2 9 3 5 7 9 100 34 6 8 12 2 4 4 2 5 5 1 5 7 4 4 3 5 4 3 5 18 79 6 9 8 14 13 3 2 2 1 2 2 1 1 2 5 6 59 2 2 3 3 3 2 2 3 3 3 30 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 3 3 1 1 1 1 0 1 1 2 2 3 9 4 1 1 5 3 1 2 5 10 7 12 29 16 4 3 4 3 2 2 2 2 1 1 2 1 2 3 4 2 7 79 85 29 33 15 6 3 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0; 1HNMR: 84 84 dt 1H J 9 19 | 76 75 ddt 1H J 10 20 78 | 73 73 d 1H J 77 | 41 40 dt 2H J 9 61 | 29 28 m 3H | 16 15 dq 1H J 56 71 | 15 14 m 9H | 14 13 m 2H | 12 11 ddt 2H J 57 84 128 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCOC(C=C)(C(=O)OCC)C(F)(F)F | ir: 6 5 26 8 10 12 15 4 4 9 8 10 3 3 6 9 5 1 2 6 4 4 4 6 6 8 4 6 14 11 5 3 4 2 2 1 6 7 3 10 5 0 1 2 2 0 1 2 2 1 2 4 2 1 2 1 7 2 12 9 3 11 13 4 10 8 6 13 17 22 56 100 32 19 26 10 7 22 78 40 1 0 7 6 2 4 10 35 34 5 4 8 4 10 13 3 0 2 5 8 5 3 22 8 9 5 22 3 2 3 3 10 13 8 16 14 6 11 30 49 14 4 7 5 4 4 6 3 17 11 3 1 2 4 4 11 19 30 49 46 19 9 5 9 29 44 9 4 1 3 2 0 1 3 2 1 2 4 2 2 3 3 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 3 2 3 3 3 4 4 4 4 8 12 48 16 8 47 71 51 42 9 8 5 8 19 24 1 5 7 5 2 3 2 2 2 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 61 60 ddq 1H J 22 110 163 | 59 58 ddt 1H J 48 112 160 | 54 54 dd 1H J 26 164 | 53 52 m 2H | 51 51 ddt 1H J 13 24 165 | 44 43 ddt 1H J 14 48 145 | 43 42 m 3H | 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. |
CC(C)OC(=O)N1CCC(C2Cc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc3O2)CC1 | ir: 4 9 11 14 6 10 13 12 13 14 21 37 19 6 4 4 3 9 12 4 5 5 2 5 2 2 1 1 2 2 2 3 3 2 8 5 18 5 2 2 6 5 2 0 1 2 1 1 1 2 1 5 8 39 59 6 9 8 4 2 2 3 2 0 13 28 6 17 17 5 4 0 8 3 3 5 4 9 3 3 5 4 14 26 100 20 17 5 84 7 11 8 2 3 6 7 10 11 5 6 7 4 2 7 4 10 32 9 7 6 3 5 9 6 4 4 6 6 7 16 19 60 32 18 10 6 5 6 7 6 5 6 5 5 12 6 6 5 4 2 7 31 6 4 2 2 51 14 13 6 16 21 8 4 2 2 2 1 2 4 1 1 1 3 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 2 2 6 3 1 2 3 4 4 8 3 5 4 4 8 14 44 22 19 45 98 46 21 7 4 5 3 3 3 2 1 2 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 79 78 m 2H | 78 77 m 2H | 76 75 dt 1H J 8 19 | 74 74 dd 1H J 22 88 | 69 68 d 1H J 88 | 51 50 hept 1H J 60 | 45 44 dt 1H J 48 66 | 37 36 m 2H | 34 33 m 2H | 33 32 m 3H | 30 29 ddd 1H J 9 49 146 | 20 19 m 3H | 17 16 m 2H | 13 13 d 6H J 60 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCC/C=C/C(=O)NC(Cc1cc(F)cc(F)c1)C(=O)O | ir: 0 0 1 1 1 1 1 1 1 1 3 2 8 3 3 4 4 7 6 4 5 13 19 14 15 7 2 1 2 2 2 5 2 3 3 5 23 22 3 4 2 3 1 2 2 2 1 1 1 2 2 2 3 5 0 1 1 1 1 0 3 2 1 1 4 7 30 3 5 1 1 0 1 1 0 2 2 4 4 24 17 5 5 7 5 4 1 2 1 0 1 1 2 4 2 2 2 3 2 1 1 1 1 1 0 1 3 5 3 2 2 6 2 3 10 8 5 4 2 4 3 2 1 2 1 4 4 5 2 1 0 1 1 1 1 2 1 1 2 1 10 37 31 11 8 9 4 6 13 8 1 0 1 1 1 0 1 1 4 13 2 1 1 5 4 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 0 1 1 1 2 2 2 2 1 1 2 2 4 5 8 24 20 9 3 3 3 6 4 1 2 5 95 100 8 2 3 2 1 0 1 1 1 1 1 4 2 8 23 10 4 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 s 1H | 80 80 d 1H J 91 | 69 68 tt 1H J 22 121 | 68 68 dq 1H J 9 18 | 68 68 dq 1H J 9 19 | 67 67 dtt 1H J 9 57 148 | 60 60 dt 1H J 12 148 | 46 45 dt 1H J 66 92 | 32 31 ddt 1H J 9 65 137 | 30 29 ddt 1H J 9 66 135 | 22 22 tdd 2H J 11 56 81 | 15 13 m 4H | 9 8 t 3H J 68 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN(C)C(=O)C(=O)OC1CCCCC1 | ir: 47 6 7 7 7 7 2 5 5 5 4 6 4 2 3 5 14 13 2 4 3 2 3 10 13 4 2 2 2 1 2 4 6 44 71 38 7 9 13 6 4 2 3 2 4 2 1 3 1 0 2 3 2 0 3 3 2 1 2 1 1 0 1 2 1 1 2 2 1 2 5 3 3 2 2 4 5 6 10 10 11 3 3 4 1 1 2 2 1 1 3 6 6 4 5 7 4 100 60 6 9 2 3 4 2 3 1 3 5 6 12 17 16 24 15 8 8 9 8 6 7 12 10 8 13 9 12 7 8 11 8 7 10 8 7 7 6 22 32 28 23 17 8 3 7 7 8 9 18 12 3 3 2 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 0 0 0 1 1 0 0 0 1 1 0 1 1 1 1 1 1 2 2 2 3 3 4 1 7 4 2 6 7 4 10 12 17 10 8 4 2 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 49 48 p 1H J 50 | 31 30 s 5H | 19 18 dddd 2H J 51 62 84 134 | 17 14 m 9H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
OCC1=Cc2c(Cl)cccc2Oc2ccccc21 | ir: 8 5 2 2 4 4 1 3 2 1 2 1 2 2 1 1 4 2 2 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 0 6 7 2 2 100 13 2 9 64 4 4 7 15 4 1 3 1 0 1 2 1 0 2 1 1 1 4 1 1 1 2 5 2 2 4 10 5 11 2 2 3 2 5 4 8 10 19 7 16 18 15 10 6 6 3 4 2 3 3 2 3 2 13 2 3 2 5 4 1 1 2 1 1 1 1 3 3 1 1 1 1 1 1 2 1 2 3 2 3 2 1 1 2 2 1 1 1 1 2 3 15 47 3 1 2 3 10 2 7 3 49 3 2 1 3 63 2 10 2 0 2 4 2 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 2 2 2 2 7 5 91 52 8 7 6 3 2 4 65 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 1; 1HNMR: 75 74 m 2H | 74 73 dd 1H J 13 82 | 73 73 m 2H | 72 72 td 1H J 12 79 | 71 70 dd 1H J 13 79 | 70 70 dd 1H J 13 80 | 48 48 dd 2H J 13 58 | 36 35 t 1H J 58 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=N)Cc1ccccc1 | ir: 2 1 2 2 1 2 3 3 3 2 2 1 0 1 2 1 0 1 2 2 1 3 2 3 7 5 7 7 15 43 74 28 100 36 32 18 10 16 11 22 18 7 3 8 4 3 5 3 4 2 6 7 4 1 1 2 1 2 2 1 1 1 3 5 2 1 1 5 22 8 5 8 9 18 16 5 6 13 11 88 10 1 2 2 1 1 1 2 3 5 5 2 1 1 1 2 2 1 3 1 1 2 3 4 7 6 10 8 6 8 2 3 4 3 5 3 4 4 3 9 3 2 2 1 2 3 3 2 3 5 4 5 5 5 6 7 5 3 1 2 2 3 20 38 31 6 6 4 3 1 2 3 8 2 2 1 1 1 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 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 2 2 2 2 1 1 2 4 2 7 6 9 10 15 5 2 1 1 1 1 2 1 1 1 1 2 4 12 25 26 17 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 s 1H | 73 72 m 5H | 42 41 q 2H J 64 | 36 35 d 2H J 8 | 13 12 t 3H J 63 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ncc(C=O)n1C | ir: 22 12 2 11 18 9 1 11 18 8 1 11 16 8 1 12 16 6 2 12 15 5 3 13 14 4 3 13 13 3 4 14 13 4 6 42 25 47 17 19 13 3 7 20 13 3 11 16 10 0 8 17 9 1 11 23 12 4 11 20 9 1 10 24 10 3 14 17 7 3 12 24 11 6 16 19 16 12 33 16 10 5 18 19 13 7 14 13 12 18 30 36 6 7 18 16 16 27 38 24 12 8 17 18 4 21 23 13 5 13 19 10 2 9 17 11 9 23 32 16 10 21 24 15 12 20 25 20 10 31 20 9 4 12 15 6 4 12 14 5 4 12 13 4 4 13 12 4 5 14 12 4 6 16 12 3 6 15 10 2 7 15 10 1 7 15 9 1 8 16 8 0 8 16 8 1 9 15 7 1 10 15 7 2 10 14 6 3 11 14 6 3 11 13 5 4 12 12 5 4 12 12 4 5 13 11 4 5 13 11 3 6 14 10 2 6 14 10 2 7 15 9 2 7 15 9 1 8 16 8 1 9 15 8 2 9 15 7 2 10 14 7 3 10 13 6 3 11 13 6 4 11 12 5 4 11 12 5 5 12 11 4 6 13 11 4 6 14 11 4 8 16 19 6 9 16 13 9 14 21 18 8 13 18 23 12 17 32 74 18 100 46 19 7 11 14 8 4 10 13 7 4 10 13 7 5 11 12 6 5 11 11 5 5 11 11 5 5 12 11 4 6 12 10 4 6 12 10 4 7 13 9 3 7 13 9 3 8 14 8 2 8 14 8 2 8 14 8 3 9 13 7 3 9 13 7 4 10 12 6 4 10 12 6 5 10 11 6 5 11 11 5 5 11 11 5 6 11 10 5 6 12 10 4 7 12 9 4 7 12 9 4 7 13 9 3 8 13 8 3; 1HNMR: 98 98 s 1H | 78 78 s 1H | 37 37 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(C)c(-c2ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)cc2)c(=O)n(CC)c1=O | ir: 3 9 5 5 14 5 2 4 1 4 2 2 2 1 2 4 1 4 2 1 1 9 1 2 5 11 11 3 3 5 57 22 10 3 5 3 1 8 1 3 2 1 1 1 2 2 1 1 2 1 2 10 16 64 25 5 7 6 4 4 2 2 2 2 2 2 2 1 3 6 8 4 4 4 2 0 1 1 1 1 1 1 0 0 1 1 2 2 1 1 1 3 2 1 1 1 7 3 4 4 1 2 1 1 1 2 0 9 12 4 5 3 7 3 3 5 6 4 8 13 20 6 11 2 3 4 4 5 6 7 4 5 3 2 2 2 2 3 6 13 10 3 5 48 5 58 25 3 4 26 7 3 6 11 100 5 2 1 9 11 2 1 1 5 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 1 2 3 1 1 1 1 1 2 1 1 3 5 3 5 9 33 4 9 16 12 3 3 1 2 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 2 1 3 17 64 7 2 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 2H | 72 72 dt 2H J 9 90 | 54 53 d 1H J 84 | 45 45 dt 1H J 70 84 | 39 38 dq 5H J 80 215 | 37 37 s 3H | 32 31 ddt 1H J 9 70 143 | 30 29 ddt 1H J 9 69 141 | 22 22 s 3H | 14 14 s 8H | 13 13 t 3H J 81 | 13 12 t 3H J 80 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)CCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O | ir: 10 21 4 4 1 3 4 5 28 29 15 11 9 9 3 10 22 16 37 18 31 73 61 27 22 9 29 6 5 3 8 13 7 22 31 10 32 7 13 6 3 2 11 14 9 27 5 4 11 5 10 18 11 3 6 14 18 6 4 5 2 1 2 5 3 2 7 5 4 12 16 31 47 16 15 7 11 22 41 11 47 72 26 3 7 14 14 7 8 13 4 2 7 14 8 6 7 4 7 3 4 3 5 7 11 8 1 3 3 3 5 17 19 45 15 19 19 10 5 10 10 12 3 12 10 7 13 46 36 10 9 4 9 3 13 13 5 6 7 5 4 73 21 72 14 29 21 71 8 2 3 2 7 1 17 1 3 8 2 2 1 4 30 2 1 0 1 1 1 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 2 3 6 10 5 6 2 2 2 5 6 14 18 22 43 49 58 18 8 9 5 1 3 5 54 100 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0; 1HNMR: 93 93 d 1H J 13 | 88 87 dd 1H J 13 51 | 78 78 d 1H J 50 | 73 72 dt 2H J 9 82 | 72 72 m 2H | 44 43 dd 1H J 52 103 | 41 41 t 2H J 8 | 41 40 dd 1H J 53 102 | 33 32 qdt 1H J 18 35 53 | 29 29 m 1H | 28 27 m 2H | 26 26 ddd 1H J 32 50 119 | 26 25 m 2H | 19 18 m 1H | 18 17 ddtdd 1H J 18 32 52 70 122 | 17 16 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)c1CC=O | ir: 9 6 3 8 8 12 5 5 22 14 5 8 15 16 18 24 9 4 6 7 5 2 2 3 3 1 1 3 3 1 2 3 3 2 3 5 3 1 6 8 22 37 13 15 20 3 3 4 3 3 2 4 4 14 10 14 15 5 6 4 4 0 4 5 3 1 5 6 4 4 6 9 8 4 19 12 9 3 3 4 6 2 3 2 3 5 11 12 4 2 3 3 2 2 4 3 5 4 3 3 5 10 25 7 2 10 7 3 3 4 25 7 7 4 8 11 5 4 7 9 9 30 6 9 8 8 11 6 6 6 15 13 2 4 8 5 8 18 7 52 2 5 3 4 15 7 9 25 10 18 3 8 26 11 4 1 2 4 2 5 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 2 4 3 3 2 4 4 2 4 6 4 2 5 8 11 13 28 100 36 15 7 6 4 5 2 2 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 99 98 t 1H J 66 | 77 76 m 1H | 76 75 m 1H | 75 74 m 2H | 73 73 m 4H | 44 43 q 2H J 64 | 43 43 d 2H J 64 | 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. |
C[C@]12CCC(=O)N(CCN3CCOCC3)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncnc3)=CC[C@@H]12 | ir: 5 3 2 4 2 3 3 2 4 3 2 4 3 1 1 4 10 2 7 7 11 2 4 7 10 20 23 39 7 3 4 8 3 0 6 23 28 16 4 2 3 5 3 1 3 5 6 3 4 3 3 1 6 8 3 3 10 4 4 9 4 4 7 5 9 3 8 4 7 8 8 7 15 9 3 5 4 3 4 7 51 7 3 2 3 6 12 4 3 3 2 2 5 3 3 1 4 3 7 2 4 4 2 4 5 2 6 5 4 9 16 100 80 14 21 4 6 7 11 9 9 5 8 10 7 8 15 6 5 3 2 4 3 6 3 2 3 2 2 3 2 1 1 1 1 1 1 2 4 31 4 3 2 4 7 15 26 5 3 6 12 36 7 6 3 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 10 6 3 3 3 2 3 3 7 17 28 27 9 4 5 3 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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; 1HNMR: 91 90 t 1H J 17 | 86 86 d 2H J 16 | 60 59 td 1H J 18 62 | 53 53 td 1H J 18 53 | 37 37 m 4H | 37 36 m 2H | 27 26 t 2H J 60 | 26 25 ddd 1H J 61 87 147 | 25 24 ddd 1H J 61 88 148 | 25 24 s 1H | 25 24 m 3H | 24 23 ddd 1H J 34 61 151 | 22 20 m 3H | 20 19 m 2H | 19 18 ddd 1H J 62 88 126 | 17 16 m 2H | 16 15 m 1H | 15 14 m 2H | 12 11 dddd 1H J 27 42 69 86 | 11 11 s 2H | 11 11 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1nc(NC)nc2ccc(C=C3SC(NCc4sccc4C)=NC3=O)cc12 | ir: 13 14 22 9 8 17 17 14 16 12 6 18 11 16 17 11 4 6 7 5 8 6 6 14 12 17 11 9 7 7 11 7 6 5 5 4 4 6 4 6 15 39 6 16 11 6 5 7 21 8 6 4 5 5 6 0 55 7 5 7 5 3 4 8 5 3 5 6 3 3 6 10 4 6 5 5 3 3 5 9 6 5 4 4 3 3 4 6 9 4 5 4 3 3 4 4 3 3 10 22 14 5 3 4 3 4 4 5 4 4 4 4 5 6 3 4 4 6 10 16 11 10 10 28 7 7 9 5 17 9 8 6 14 10 7 5 15 9 4 8 6 31 88 29 8 16 61 50 100 13 34 8 7 61 20 7 7 8 5 4 7 5 4 1 3 5 4 20 4 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 2 3 3 2 2 3 3 2 2 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 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 4 3 2 4 4 4 3 4 4 4 3 3 5 4 3 4 5 4 5 6 8 11 8 18 14 11 7 18 5 5 3 4 4 3 3 3 4 3 3 4 4 4 6 8 5 11 22 33 39 82 66 23 10 5 4 8 5 2 3 4 4 2 3 4 4 3 3 4 3 2 4 4 3 2 4 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2; 1HNMR: 85 85 d 1H J 19 | 84 84 dd 1H J 21 81 | 79 79 d 1H J 81 | 78 77 s 1H | 76 75 t 1H J 39 | 72 71 d 1H J 60 | 68 68 dq 1H J 9 62 | 60 60 q 1H J 46 | 49 49 d 2H J 38 | 44 43 q 2H J 67 | 31 30 d 3H J 48 | 23 23 d 3H J 7 | 15 14 t 3H J 67 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1ccc(C(=O)NCC(=O)O)cc1F | ir: 8 14 23 27 5 6 10 9 8 6 8 4 10 7 6 10 9 10 20 14 25 53 22 43 28 12 5 5 4 4 4 3 4 16 9 3 2 3 8 17 19 23 10 1 3 5 4 1 4 4 4 3 5 4 8 7 4 3 2 0 2 3 1 0 2 3 1 0 3 5 2 1 4 5 3 7 20 15 23 11 6 7 4 3 7 7 4 4 4 4 3 2 6 7 4 4 6 4 3 1 5 5 3 1 3 2 0 1 2 1 0 1 3 2 1 1 3 3 3 5 4 3 3 5 5 3 48 43 7 2 0 2 3 2 2 3 3 2 2 5 4 8 33 25 13 9 15 13 8 1 4 11 7 2 8 12 28 32 18 6 3 2 3 10 9 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 3 3 3 3 2 1 2 2 3 2 6 4 7 8 11 4 3 0 1 2 1 2 4 9 7 2 2 2 2 3 7 83 67 6 3 4 4 9 11 5 7 6 8 86 100 49 8 2 2 1 2 1 1 1 2 1 0 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 2 2 1 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 79 t 1H J 66 | 77 77 dd 1H J 21 121 | 76 76 dd 1H J 22 93 | 72 71 dd 1H J 47 92 | 39 38 m 4H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
NCC#CCNC(=O)Nc1nc2c(s1)-c1c(cnn1-c1ccccc1)CC2 | ir: 2 4 3 1 1 1 2 1 0 1 1 0 0 1 2 4 3 1 1 2 2 1 1 0 1 1 3 3 0 1 1 1 2 4 3 2 1 4 2 5 4 6 9 5 8 19 17 18 9 3 2 3 1 1 1 1 2 2 1 2 2 5 5 3 2 1 1 2 4 9 8 5 7 0 2 1 2 4 6 3 2 2 2 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 4 0 1 8 0 1 0 0 0 0 1 0 1 1 1 1 1 2 4 1 2 2 1 3 2 1 2 2 15 2 1 4 5 9 3 8 8 1 1 12 5 0 1 1 1 3 1 1 0 3 1 6 5 100 2 1 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 1 1 1 3 3 10 14 6 0 1 0 1 0 0 1 1 2 1 3 4 2 4 8 3 4 4 6 4 8 9 22 21 4 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 76 76 m 3H | 76 75 m 2H | 74 74 m 1H | 69 69 t 1H J 33 | 41 40 dt 2H J 25 33 | 36 36 tt 2H J 25 70 | 31 30 m 4H | 24 24 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(=CC(=O)N(C)C1CCN(C)CC1)c1ccccc1Sc1ccc(Cl)cc1 | ir: 1 2 1 1 2 6 3 4 2 6 6 5 4 3 3 2 3 1 0 0 1 1 1 1 7 7 2 1 1 1 0 2 4 6 7 1 2 4 7 4 7 5 100 16 13 2 3 1 1 2 2 4 3 12 47 3 3 4 3 4 1 1 1 3 1 1 6 19 14 3 3 4 4 5 4 12 10 9 15 12 30 24 8 6 5 14 5 2 2 11 2 5 6 4 3 4 8 7 19 9 7 5 6 3 2 2 1 1 1 2 3 7 8 3 5 4 5 5 8 8 9 9 2 6 3 5 5 4 3 7 4 5 3 3 1 2 29 8 4 6 2 9 9 7 12 64 11 18 62 20 3 4 6 1 2 2 3 7 5 13 30 14 5 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 2 2 3 5 2 2 3 2 4 6 13 24 25 92 100 38 19 26 10 9 3 3 2 2 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 73 m 5H | 73 73 td 1H J 17 73 | 63 63 q 1H J 14 | 38 37 pq 1H J 16 57 | 29 28 d 3H J 16 | 28 27 ddd 2H J 55 82 117 | 25 24 ddd 2H J 56 83 119 | 24 23 m 6H | 21 20 ddt 2H J 56 82 114 | 18 17 ddt 2H J 56 82 115 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Nc1cc(C(F)(F)F)cc2[nH]c(=O)[nH]c12 | ir: 8 6 5 3 19 45 15 4 2 2 1 1 1 1 1 2 5 1 1 1 2 2 1 1 1 6 7 2 3 2 2 2 2 1 2 8 4 5 13 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 1 4 4 3 1 2 4 1 1 6 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 12 14 1 1 1 2 1 10 30 2 2 1 1 1 1 1 1 1 1 1 1 1 2 5 3 2 2 2 3 1 1 1 1 3 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 2 5 22 38 3 2 1 2 16 21 7 25 28 100 5 2 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 11 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 19 1 6 20 5 11 12 13 3 2 3 14 49 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 97 s 1H | 76 76 dq 1H J 9 19 | 66 66 dq 1H J 9 19 | 49 49 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCC12CCCc3c1n(c1ccccc31)C(=O)CC2 | ir: 3 3 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 4 7 3 3 3 3 5 3 3 3 3 3 2 3 3 4 2 3 3 3 3 2 3 3 2 20 28 3 6 4 4 3 4 3 2 3 3 3 2 3 5 3 2 3 3 3 2 3 3 3 2 3 6 3 3 3 3 3 3 3 3 2 2 3 3 3 3 3 3 2 5 3 3 3 3 2 3 3 3 3 2 2 2 3 3 3 3 3 3 2 2 3 3 2 3 5 5 3 5 3 3 3 4 3 3 4 4 6 3 3 3 4 4 3 3 3 3 3 14 3 4 12 4 3 3 3 2 3 11 6 3 2 3 3 4 1 100 0 6 3 1 2 4 3 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 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 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 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 4 4 4 2 3 4 4 10 7 4 7 16 17 6 3 3 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 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 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 2 3; 1HNMR: 78 78 dd 1H J 13 70 | 78 77 dd 1H J 13 66 | 75 75 ddd 1H J 13 66 75 | 72 71 td 1H J 14 71 | 31 30 m 2H | 29 28 ddd 1H J 51 77 145 | 28 27 ddd 1H J 49 77 143 | 23 22 ddd 1H J 50 77 127 | 21 20 ddd 1H J 49 72 120 | 20 19 ddd 1H J 49 76 128 | 19 17 m 4H | 17 16 dq 1H J 70 128 | 9 8 t 3H J 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)CCC(=O)N1CC=C(c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)CC1 | ir: 1 1 0 3 1 1 1 1 2 2 2 2 2 3 2 20 11 8 11 4 3 3 11 4 4 2 1 1 10 7 4 1 2 1 2 1 1 1 1 1 1 2 9 11 3 1 1 1 2 1 1 1 4 0 2 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 0 0 2 1 1 1 1 2 0 2 13 1 1 1 1 1 1 1 1 1 1 1 0 1 3 2 2 1 1 2 1 4 2 2 7 5 1 2 3 1 1 2 1 2 2 10 2 3 4 7 3 11 3 2 3 4 4 2 2 6 2 3 2 1 2 2 1 1 3 1 3 2 14 3 2 4 10 1 1 1 19 1 10 6 23 2 1 1 8 2 1 2 1 0 0 1 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 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 1 0 1 0 1 0 0 0 1 1 2 2 1 1 1 1 1 1 1 2 3 5 3 5 6 5 1 1 1 1 1 1 1 1 0 1 1 0 1 2 1 2 23 1 0 2 2 1 1 2 6 21 2 1 6 100 2 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H | 77 76 m 2H | 73 72 m 4H | 60 60 tt 1H J 9 38 | 41 41 dt 2H J 11 40 | 38 38 m 2H | 37 36 s 3H | 32 31 tq 2H J 10 53 | 27 26 m 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cccc(C)c1-n1cnc(-c2cccc(Cl)c2)c1 | ir: 0 2 1 2 2 1 1 1 2 2 2 1 0 1 2 2 1 1 2 3 1 1 1 0 0 1 1 1 3 6 5 2 3 2 2 12 6 3 20 2 3 2 3 2 7 56 14 27 2 2 2 0 1 1 1 0 1 1 1 2 8 3 3 1 2 4 4 6 8 6 8 3 2 3 5 9 14 4 6 6 12 5 2 1 2 2 7 1 4 4 3 2 4 4 4 10 2 3 3 4 5 2 5 12 1 1 2 9 13 2 1 1 2 1 1 1 2 4 9 9 3 2 2 2 2 3 5 5 9 12 1 3 3 1 2 2 2 5 3 2 15 15 12 7 2 0 1 2 1 0 1 6 2 1 2 5 8 3 1 1 1 0 1 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 3 5 2 2 2 2 2 1 2 2 2 4 7 4 9 19 8 17 100 31 51 6 2 2 2 3 2 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 d 1H J 16 | 78 78 d 1H J 16 | 76 75 m 2H | 74 73 m 2H | 72 72 dd 1H J 60 73 | 72 71 d 2H J 67 | 22 21 d 6H J 7 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1(C)CC=C(c2cc(CC(=O)NCCCO)ccc2N)CC1 | ir: 2 9 6 10 15 8 7 5 5 4 3 4 5 2 3 4 3 7 7 5 2 11 10 16 9 3 3 6 7 2 4 13 11 18 5 4 8 2 2 6 4 3 3 4 3 1 1 4 1 1 2 3 3 6 5 7 7 1 5 6 2 1 2 3 2 0 6 6 3 1 3 2 2 1 2 4 3 1 5 6 1 1 1 2 1 1 2 4 2 2 3 8 8 3 4 5 7 24 16 10 5 3 2 1 1 2 2 1 1 1 2 2 2 3 5 3 4 4 5 4 3 3 5 2 4 4 5 2 2 4 4 2 0 2 2 1 0 2 2 0 0 5 8 6 100 69 15 14 8 2 4 6 5 2 12 95 11 52 30 4 2 2 4 13 2 2 2 1 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 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 3 2 2 1 4 3 1 2 3 2 1 5 7 9 6 30 13 10 7 9 32 30 5 3 2 1 1 1 2 1 1 2 3 2 36 15 3 4 7 17 21 11 5 6 5 1 98 51 14 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 dt 1H J 9 21 | 71 70 m 2H | 66 65 d 1H J 82 | 59 58 tt 1H J 8 49 | 48 47 s 2H | 36 36 m 3H | 35 34 q 2H J 56 | 32 31 td 2H J 49 58 | 26 25 ddq 2H J 9 56 64 | 21 20 dt 2H J 10 48 | 16 16 p 2H J 57 | 16 15 m 2H | 9 9 s 5H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Nc1ccc([C@@H]2C[C@H]2NCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 | ir: 4 2 3 4 2 3 1 2 2 3 1 4 4 7 3 3 2 2 2 3 11 5 5 5 2 3 2 2 2 4 9 20 9 3 4 3 10 11 8 25 100 44 21 9 9 16 9 7 12 6 7 6 4 11 6 8 21 26 4 5 2 0 1 4 1 16 15 14 9 14 4 2 2 2 6 9 4 3 3 2 1 3 5 3 2 1 3 1 8 4 2 1 2 2 5 2 3 11 37 37 6 6 3 10 9 10 1 1 3 3 10 23 11 5 6 27 100 17 12 7 2 3 7 20 5 4 5 22 7 3 2 1 1 3 4 7 2 2 3 4 25 15 12 14 2 5 11 30 7 12 12 21 41 13 6 1 2 2 1 0 26 4 2 3 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 3 8 4 5 8 35 24 63 73 13 6 5 3 2 2 3 1 1 2 2 1 1 3 5 3 17 84 46 8 3 14 33 15 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 84 s 1H | 83 82 q 1H J 16 | 82 81 m 1H | 78 77 m 2H | 76 75 m 2H | 74 73 m 2H | 73 72 m 1H | 72 71 m 4H | 40 39 ddt 1H J 8 40 139 | 39 38 ddt 1H J 9 40 139 | 30 29 tdd 1H J 49 60 69 | 25 24 dt 1H J 40 70 | 19 18 dt 1H J 62 73 | 17 16 dt 1H J 60 82 | 15 14 ddd 1H J 49 71 82 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)OC(=O)Nc1ccc2[nH]c(C(=O)O)cc2c1 | ir: 10 6 7 6 3 2 2 1 2 5 4 10 4 8 27 3 1 3 4 6 8 28 57 70 18 6 9 4 3 6 7 7 22 16 14 10 5 6 9 5 2 3 2 2 3 2 1 3 3 6 6 3 8 21 16 7 6 2 1 1 1 2 3 3 2 5 7 7 4 3 1 1 1 1 2 5 10 75 100 0 5 2 1 1 3 5 2 1 4 6 4 15 3 1 0 2 3 5 5 3 5 29 20 4 1 5 1 3 2 4 5 3 1 5 28 9 1 2 4 2 3 2 2 9 19 81 2 5 6 2 5 3 1 2 1 1 2 3 6 5 8 6 6 7 8 12 2 9 82 75 12 28 50 12 5 4 3 3 4 13 2 1 1 0 19 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 3 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 1 2 1 1 1 1 1 1 2 2 3 9 13 7 16 7 8 14 9 3 3 2 2 2 5 8 14 3 1 1 1 1 1 2 1 2 2 3 4 19 33 38 28 6 4 5 5 1 1 2 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 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 t 1H J 21 | 78 77 s 1H | 76 76 d 1H J 73 | 75 75 dd 1H J 22 73 | 72 71 d 1H J 24 | 15 14 s 9H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Nc1cncc(-n2ccc(C(F)(F)F)n2)c1)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1 | ir: 2 3 2 5 3 4 3 2 2 1 0 1 3 2 5 2 2 2 2 8 6 13 11 25 9 4 9 6 5 5 17 8 11 12 22 20 35 11 6 25 30 6 3 3 3 4 5 4 16 16 8 1 7 20 33 4 2 4 1 0 1 2 1 0 4 8 24 19 13 2 2 6 2 5 4 2 1 1 2 2 4 3 3 3 2 6 2 3 2 4 5 3 1 5 3 3 2 15 36 17 7 4 14 1 2 1 1 3 1 1 2 33 45 13 10 7 3 1 5 6 5 3 3 4 8 16 6 4 3 1 2 2 1 1 2 1 0 2 2 11 5 4 17 24 4 8 14 10 100 8 13 39 16 7 3 17 4 1 2 7 4 8 9 20 22 3 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 2 6 16 12 18 12 9 12 3 3 2 1 1 0 1 2 1 0 1 1 1 3 4 2 2 2 8 18 31 49 14 11 3 2 0 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 89 89 t 1H J 17 | 88 88 t 1H J 16 | 85 85 dq 1H J 13 26 | 83 83 t 1H J 16 | 83 83 m 2H | 81 81 d 1H J 24 | 80 80 dp 1H J 14 70 | 77 77 dd 1H J 22 48 | 73 72 d 1H J 21 | 70 70 p 1H J 18 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1CCC(Oc2nc(N)nc(-c3ccco3)c2C#N)CC1 | ir: 6 3 3 3 2 1 1 3 2 1 3 1 1 2 2 1 3 2 1 6 2 2 2 1 1 2 2 2 3 3 4 2 5 2 2 3 4 4 3 2 2 1 1 2 3 14 16 1 2 3 2 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 4 5 3 2 1 2 1 1 2 2 2 2 1 2 3 6 2 7 1 1 1 1 2 1 2 3 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 4 2 1 1 3 2 1 2 1 2 11 6 7 5 4 21 6 3 69 74 12 3 1 2 1 1 3 2 1 0 1 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 16 2 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 4 4 1 2 1 1 0 1 1 1 1 1 1 1 1 2 6 10 4 1 2 1 0 1 1 0 0 3 10 100 4 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 t 1H J 15 | 70 69 dd 1H J 18 57 | 67 67 dd 1H J 12 58 | 63 63 s 2H | 49 48 p 1H J 48 | 29 28 ddd 2H J 60 86 119 | 27 26 ddd 2H J 59 86 119 | 23 23 s 2H | 22 21 dddd 2H J 48 59 86 128 | 20 19 dddd 2H J 49 60 88 128 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Sc1ccc(S(=O)(=O)N2CCNCC2)cc1 | ir: 3 4 2 7 13 4 3 9 13 10 18 11 7 8 22 10 6 13 22 11 37 75 22 18 22 4 4 5 2 2 2 1 6 6 4 6 4 2 2 1 1 1 3 1 3 4 2 1 2 2 3 4 4 16 100 15 13 2 3 9 2 14 23 6 4 26 36 7 2 7 1 1 5 3 3 4 6 10 34 24 8 7 5 13 9 6 27 8 47 7 8 25 10 1 3 3 2 2 9 4 8 3 2 4 3 2 2 4 2 10 43 6 3 6 5 4 11 6 4 3 3 5 13 13 10 12 7 5 4 5 7 4 10 4 2 1 2 1 1 2 5 2 4 11 16 6 3 4 4 3 1 3 2 5 3 3 1 0 1 1 2 0 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 6 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 1 1 0 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 4 9 10 6 6 5 9 23 25 5 6 1 1 14 29 11 6 3 2 2 1 3 4 3 16 11 3 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 92 92 d 1H J 13 | 78 78 m 2H | 76 75 m 4H | 38 38 s 2H | 32 31 m 4H | 29 29 m 4H | 23 23 s 2H | 22 22 p 1H J 34 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1ccc(C(=O)O)cc1N | ir: 1 1 1 2 2 2 4 10 10 15 22 12 21 10 9 9 5 7 29 20 41 53 28 26 13 7 6 1 2 2 2 1 1 1 2 2 1 3 10 2 1 3 2 1 2 2 1 1 1 2 1 2 1 1 2 4 2 1 2 2 1 2 1 0 1 1 3 9 6 2 1 1 2 3 4 2 20 37 100 4 5 3 6 6 10 2 5 7 4 1 1 4 4 3 1 0 1 1 0 1 2 2 1 0 1 1 0 1 1 1 0 2 14 14 0 2 6 2 2 1 3 2 0 13 1 2 1 0 1 1 1 1 1 1 1 1 1 2 4 0 0 1 1 1 4 16 7 1 1 3 2 3 4 5 13 15 3 7 53 6 3 1 1 1 2 2 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 2 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 1 0 0 1 1 1 1 1 1 2 2 3 29 8 1 2 3 1 0 2 3 5 54 62 14 2 2 0 0 1 2 56 3 1 1 0 0 1 1 1 3 3 12 40 3 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 78 d 1H J 90 | 76 76 d 1H J 22 | 74 74 dd 1H J 21 91 | 65 65 s 2H | 38 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CO[C@@H]1CN(C(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@H]2[C@@H]1OC[C@@H]2O | ir: 10 8 8 8 3 6 8 6 3 13 9 16 23 9 6 12 23 4 7 8 14 11 10 18 19 42 37 10 9 25 29 13 17 10 9 10 8 33 5 14 5 3 3 8 7 4 1 6 3 1 5 3 4 3 3 3 2 5 5 12 5 3 8 8 5 2 3 10 3 2 3 3 6 2 4 6 2 2 1 5 1 0 6 2 3 1 2 3 3 9 4 5 8 6 7 18 10 20 24 37 11 18 7 4 10 5 5 4 3 4 15 8 12 5 5 2 6 3 10 8 14 11 9 3 7 10 8 8 6 7 14 16 14 20 6 5 7 6 4 3 4 3 11 21 35 28 8 17 2 100 4 4 1 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 3 6 2 1 1 3 2 3 1 6 8 5 7 11 23 4 3 2 2 2 4 8 24 9 3 3 1 1 2 1 1 0 1 0 0 0 1 2 2 3 5 10 58 23 6 2 2 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: 53 53 d 1H J 75 | 46 45 dddd 1H J 7 17 25 42 | 45 44 m 2H | 40 40 ddq 1H J 15 29 44 | 39 39 m 2H | 39 38 ddt 1H J 18 29 117 | 37 36 m 2H | 35 35 d 1H J 57 | 34 33 d 3H J 15 | 18 17 dd 1H J 64 136 | 15 14 dd 1H J 64 137 | 14 14 s 8H | 9 9 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCc1ccc(O)c(CCC)c1F | ir: 5 1 0 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 0 1 1 0 0 1 1 0 1 1 1 0 0 2 1 1 0 2 2 2 3 6 1 1 0 1 0 0 1 2 7 5 9 1 4 1 3 0 0 2 1 1 1 1 0 2 2 8 4 0 1 1 1 1 1 2 1 1 1 1 3 4 31 24 11 3 3 1 1 2 2 1 2 1 2 1 1 2 6 5 7 3 0 1 1 2 2 2 4 1 2 1 1 1 1 5 5 2 2 1 0 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 0 1 0 2 4 4 1 1 1 1 1 0 0 0 2 3 0 0 0 1 1 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 1 0 1 0 1 1 2 1 2 3 1 1 1 1 1 0 3 6 5 2 17 9 11 1 2 1 1 0 53 100 54 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 69 ddt 1H J 8 48 87 | 65 65 d 1H J 86 | 64 64 s 1H | 28 27 td 2H J 48 61 | 27 26 tdd 2H J 9 37 63 | 17 16 dqt 4H J 61 75 185 | 10 9 dt 6H J 74 205 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(Cc1ccc(C(F)(F)F)nc1)NNc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)cn1 | ir: 3 6 8 8 10 5 5 1 4 2 5 2 3 3 8 4 2 4 1 2 2 3 10 7 8 3 4 3 4 3 2 7 5 7 12 25 6 17 16 3 11 14 41 3 3 3 1 2 1 4 10 9 15 16 24 35 18 2 1 2 1 1 1 0 1 1 4 12 3 3 14 13 4 3 3 1 1 1 1 1 6 0 1 1 5 2 6 5 4 2 1 1 2 1 2 4 16 5 18 8 7 3 13 8 2 1 0 1 1 4 2 1 2 1 1 3 2 1 1 6 2 2 10 4 4 1 2 2 2 2 7 14 8 2 3 23 54 39 5 6 30 7 86 7 8 27 100 20 8 21 11 9 5 10 4 1 2 4 6 3 19 2 1 46 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 2 1 2 1 2 1 1 1 3 3 5 11 33 72 39 14 5 4 2 5 1 0 1 1 1 1 1 1 0 1 2 1 3 2 2 10 30 49 18 10 5 6 2 3 1 1 1 1 1 1 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 d 1H J 60 | 93 92 d 1H J 60 | 85 84 s 1H | 84 84 dt 1H J 10 19 | 76 76 dd 1H J 13 76 | 76 75 m 4H | 75 74 td 1H J 16 73 | 74 74 dd 1H J 15 78 | 74 73 m 2H | 74 73 ddd 1H J 13 72 81 | 71 71 s 1H | 37 37 t 2H J 8 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1nc2c(N)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1 | ir: 4 2 6 6 4 24 19 13 6 8 6 10 37 12 4 21 18 21 15 7 9 4 7 6 12 4 3 3 5 9 6 13 17 7 10 2 4 5 19 12 61 10 9 3 4 4 4 3 20 13 6 2 4 9 37 6 6 4 2 3 2 3 2 3 4 13 6 5 5 12 4 7 11 3 16 5 9 6 1 16 2 3 2 2 20 3 3 5 5 7 3 2 4 3 6 11 10 4 9 8 3 3 3 16 2 1 2 3 3 2 2 3 2 4 3 6 4 3 2 2 5 6 5 5 7 16 17 5 14 3 2 2 3 4 5 14 3 3 2 1 2 2 6 10 5 2 2 3 44 8 20 0 6 21 59 7 5 2 32 9 3 2 6 4 4 4 33 4 2 2 2 1 2 2 1 1 1 2 1 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 2 2 2 2 1 2 1 1 2 3 2 2 3 2 1 2 3 4 5 6 3 5 36 8 9 22 20 4 4 2 2 2 3 2 1 1 2 2 2 2 9 27 2 2 2 1 2 2 2 3 1 5 6 100 7 3 2 1 1 2 1 1 1 1 1 1 1 2 2 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; 1HNMR: 80 79 d 1H J 15 | 74 73 m 6H | 67 66 d 1H J 13 | 59 59 s 2H | 52 52 s 2H | 38 38 s 2H | 37 37 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. |
C[C@@]12C=CC(=O)C[C@H]1/C(=C/Br)CCC2 | ir: 7 3 0 4 7 3 0 4 6 3 1 4 11 5 2 8 7 5 3 8 8 2 1 5 5 2 3 5 6 10 2 5 5 5 6 7 5 2 2 6 5 4 4 6 7 57 31 20 6 4 4 8 7 10 4 11 6 0 6 46 25 3 5 8 13 1 12 11 9 16 6 6 3 1 5 6 3 2 5 5 2 2 5 5 2 2 5 7 4 10 10 17 5 4 9 7 3 6 36 31 3 4 9 5 2 4 8 6 4 8 17 13 12 8 8 9 3 7 23 12 5 6 7 8 12 7 9 8 3 10 8 14 10 15 10 5 4 9 9 4 6 16 35 20 20 29 12 3 3 6 5 2 4 14 8 3 3 3 49 32 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 3 3 6 5 2 5 9 5 4 6 18 14 3 6 7 6 5 7 29 54 33 100 27 21 6 6 7 5 3 5 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 1; 1HNMR: 68 67 ddq 1H J 10 20 92 | 60 59 dt 1H J 9 17 | 58 57 dt 1H J 9 92 | 28 28 ddd 1H J 9 55 143 | 26 25 ddd 1H J 9 82 143 | 24 23 m 3H | 18 16 m 2H | 16 15 m 1H | 15 14 m 1H | 11 11 d 3H J 11 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)C(O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | ir: 1 0 0 2 1 2 1 1 1 2 1 1 3 11 7 4 2 10 5 6 33 18 28 11 3 2 3 2 1 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 0 1 1 1 2 3 6 7 10 6 11 17 5 2 3 0 0 1 1 1 2 7 6 1 3 1 1 1 1 1 2 9 6 16 11 7 7 3 5 4 5 7 18 10 11 1 6 4 4 7 7 5 5 5 2 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 2 5 2 2 1 1 1 1 0 0 0 0 0 0 3 1 0 1 1 7 2 4 2 1 6 8 6 2 1 2 1 1 1 0 0 0 0 0 0 1 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 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 1 1 0 0 0 1 1 0 2 4 15 15 11 3 1 3 4 4 4 76 92 92 100 15 9 4 2 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 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; 1HNMR: 74 74 dt 1H J 9 19 | 73 73 m 2H | 73 72 m 3H | 69 69 m 2H | 52 51 m 3H | 50 50 dt 1H J 8 57 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC1CC(NCc2cc3c(cn2)OCCO3)CCN1CCn1c(=O)ccc2c(F)cc(F)cc21 | ir: 3 2 2 6 13 22 6 3 6 2 12 3 8 4 6 6 3 3 7 4 6 7 6 13 3 4 5 8 15 7 5 11 3 2 3 13 8 12 14 17 38 12 22 17 32 27 31 18 22 14 9 4 6 14 18 10 11 13 21 4 2 6 5 2 4 40 69 56 38 13 41 14 33 13 3 4 4 8 7 4 2 2 8 6 48 3 6 16 44 6 5 10 3 4 2 2 5 5 5 5 7 8 8 11 10 8 13 9 3 12 51 12 17 9 17 24 18 17 14 20 27 17 12 5 17 7 5 5 11 4 11 9 46 15 8 23 27 10 6 7 13 15 6 3 3 3 9 19 3 13 19 5 2 3 3 16 3 1 3 10 34 7 3 9 43 5 1 1 1 0 1 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 4 2 2 2 6 5 2 5 6 4 1 3 6 8 12 20 23 32 100 74 26 16 10 3 2 2 2 3 3 3 2 2 7 1 1 9 9 17 88 43 18 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 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; 1HNMR: 80 80 s 1H | 80 79 dd 1H J 51 92 | 72 71 dd 1H J 21 122 | 69 68 m 2H | 66 65 d 1H J 92 | 44 43 m 2H | 44 43 m 3H | 42 42 dt 1H J 61 116 | 41 40 ddd 1H J 9 50 148 | 40 39 ddd 1H J 9 50 148 | 31 31 dtt 1H J 39 51 78 | 31 30 dt 1H J 61 115 | 30 28 m 4H | 27 26 ddd 1H J 56 83 126 | 20 19 m 2H | 17 16 m 2H | 11 11 d 3H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C(O)c1nnn(-c2ccccc2)c1CCc1ccccc1 | ir: 0 2 3 1 0 2 3 1 0 2 3 2 1 2 2 1 3 7 5 7 6 7 23 23 5 3 5 3 2 2 3 2 3 3 5 3 2 3 3 7 9 6 5 12 2 3 3 0 3 3 2 0 2 3 1 0 1 3 2 0 1 2 1 0 2 2 1 2 5 6 2 2 3 3 1 1 3 6 8 11 2 2 1 2 2 2 1 2 3 7 2 4 5 3 1 1 2 4 3 2 3 3 1 1 2 2 0 1 2 1 1 2 3 2 0 2 3 3 2 2 3 1 1 2 4 3 2 3 3 1 0 2 3 1 2 13 10 13 1 2 2 2 3 7 7 3 2 2 2 1 1 2 2 1 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 4 2 1 1 3 2 1 5 7 9 17 18 5 2 2 2 2 1 3 3 100 13 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 74 m 4H | 73 72 m 3H | 72 71 m 3H | 32 31 td 2H J 8 85 | 30 29 tq 2H J 8 83 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)[C@@H](CCCCCCI)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC | ir: 2 3 8 3 2 2 1 3 2 1 2 2 1 4 1 1 1 1 1 1 1 1 1 1 1 2 4 1 2 1 2 7 24 5 13 7 3 4 3 2 2 2 2 1 0 0 1 0 1 1 0 0 1 1 1 1 1 1 1 1 0 1 1 2 1 0 1 1 1 2 1 1 0 0 1 2 1 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 1 1 1 2 2 2 2 3 1 1 1 1 1 1 2 1 3 3 2 5 2 2 2 1 1 3 4 5 7 7 4 6 2 3 2 6 3 3 5 2 1 2 1 1 1 1 0 1 1 1 2 5 26 100 18 1 2 6 4 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 2 1 1 1 1 1 2 1 2 8 11 3 1 1 1 0 1 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 1 2 2 5 5 7 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 55 55 d 1H J 82 | 44 43 dt 1H J 74 84 | 37 37 s 2H | 37 36 s 2H | 32 32 t 2H J 56 | 25 24 tt 1H J 72 88 | 22 21 ddd 1H J 73 87 145 | 19 18 m 1H | 19 18 tt 2H J 45 72 | 18 17 dtd 1H J 73 88 135 | 15 14 m 1H | 15 12 m 7H | 14 14 s 9H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1C(=O)Cc2ccccc2C1=O | ir: 0 1 3 4 1 33 10 9 8 2 1 1 1 1 1 1 1 0 1 2 3 2 2 1 2 0 1 2 5 6 4 16 15 6 5 3 2 2 10 40 31 3 2 1 1 1 2 2 3 4 2 2 1 17 26 16 2 1 1 1 1 6 3 1 0 1 2 1 1 2 4 4 2 1 2 3 2 1 1 1 1 1 3 3 4 3 1 1 1 9 23 8 0 1 1 1 1 1 1 1 3 1 2 3 2 2 1 1 0 1 2 5 12 4 2 2 1 3 7 7 10 4 6 15 26 33 8 5 5 2 1 3 4 2 3 3 6 35 14 6 1 0 1 2 1 2 2 1 4 47 0 7 4 4 20 13 72 100 3 8 16 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 2 2 2 3 3 3 2 3 2 6 6 6 26 50 21 4 2 6 1 0 1 1 0 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 1H J 16 81 | 76 75 m 1H | 75 74 m 2H | 38 38 d 2H J 9 | 35 35 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1cccc(-n2c(C(=O)OC)c(CCSC(C)=O)c3ccccc32)c1 | ir: 6 6 19 13 8 2 4 18 9 2 3 2 3 2 2 2 2 3 4 15 9 4 2 4 2 2 2 3 2 3 8 13 3 3 4 5 4 5 2 2 3 7 4 18 6 2 10 10 9 4 2 2 1 2 2 1 5 3 2 1 1 2 2 8 5 2 3 2 8 24 5 1 2 2 2 3 6 3 3 4 2 2 3 1 3 5 27 7 3 4 3 2 6 3 1 1 4 9 3 2 8 2 1 2 2 2 2 12 12 11 5 5 2 4 20 9 15 5 7 10 28 5 3 7 4 10 3 6 8 8 2 2 2 6 4 4 9 37 29 23 5 3 4 2 19 78 100 25 6 4 2 2 19 0 1 4 2 1 1 3 2 1 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 2 3 4 3 1 2 2 4 4 3 3 3 3 4 5 6 8 17 23 23 97 61 20 4 4 2 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 81 t 1H J 21 | 80 79 dd 1H J 15 71 | 79 79 ddd 1H J 13 22 73 | 76 76 ddd 1H J 12 21 66 | 76 75 m 2H | 73 73 dd 1H J 15 62 | 72 72 td 1H J 14 71 | 39 39 s 3H | 39 39 s 3H | 37 37 t 2H J 61 | 33 32 t 2H J 60 | 24 23 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)[C@H]1CC[C@H](NCc2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 | ir: 7 4 2 4 10 6 2 3 1 1 5 1 1 2 2 3 6 6 1 1 1 1 1 1 1 1 5 1 1 1 2 3 2 7 7 6 2 2 2 1 3 3 3 3 4 6 4 7 5 2 6 4 13 29 50 57 11 6 13 7 5 10 9 5 2 6 4 4 4 10 1 1 1 1 2 1 3 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 2 3 2 2 3 23 8 9 3 9 5 3 5 5 27 22 9 22 11 9 8 4 9 28 3 10 9 3 5 3 5 6 0 7 11 7 4 4 3 3 26 6 6 1 3 2 1 1 1 2 2 3 6 5 60 15 31 9 7 4 8 3 2 1 1 1 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 1 1 2 2 2 2 2 2 3 3 3 5 21 4 10 100 32 10 6 5 4 2 3 3 1 0 1 2 1 1 1 1 2 3 10 36 54 17 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 m 4H | 70 70 m 2H | 69 68 m 2H | 40 39 ddt 1H J 9 51 139 | 39 38 ddt 1H J 8 51 139 | 38 38 s 2H | 37 37 s 2H | 35 34 m 1H | 32 31 m 1H | 28 27 m 1H | 22 21 dddd 1H J 41 53 73 137 | 20 19 m 1H | 19 18 m 2H | 17 16 m 1H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)CC(c1ccc(O)cc1)c1c(C)noc1C | ir: 4 2 3 2 4 2 2 3 6 3 1 3 4 3 4 5 3 1 1 3 3 3 2 4 4 9 9 2 2 1 1 2 2 1 2 3 4 2 1 3 4 1 2 2 2 1 2 3 3 1 3 2 5 7 11 6 21 10 3 4 3 7 6 12 9 3 3 4 6 3 3 3 2 2 2 3 1 2 4 25 51 9 6 10 2 2 7 15 14 6 11 16 1 3 3 2 2 3 5 5 5 3 3 2 1 2 5 2 1 3 9 9 5 4 3 2 1 4 5 4 3 5 9 4 3 2 4 2 4 5 2 3 3 3 3 4 2 3 2 2 2 3 20 9 33 8 4 5 19 23 9 14 4 4 3 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 2 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 3 2 1 4 2 3 2 2 3 3 3 2 4 3 3 5 13 13 7 7 21 12 6 3 3 6 6 6 100 15 1 2 4 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 71 70 m 2H | 70 70 s 1H | 67 67 m 2H | 49 48 m 1H | 37 36 s 3H | 31 31 dd 1H J 80 166 | 29 28 dd 1H J 80 166 | 24 24 s 3H | 23 23 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCc1ncc(CN2CC=C(c3ccc(F)cc3)CC2)c(N)n1 | ir: 3 2 3 4 2 2 3 3 3 1 3 5 2 2 2 1 3 2 1 2 3 3 2 2 2 3 2 1 2 2 2 3 2 7 2 3 2 2 2 3 3 4 5 4 4 3 2 1 2 5 5 4 12 12 14 10 7 3 6 3 4 1 1 1 1 2 3 1 4 9 1 1 1 2 1 6 2 1 1 2 4 1 1 1 1 3 5 3 5 2 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 0 1 1 1 2 1 1 2 2 2 2 1 1 2 1 1 2 2 2 1 2 1 2 6 6 3 1 1 2 6 1 1 1 1 1 1 1 2 7 15 22 23 4 5 2 27 6 9 3 2 1 1 44 8 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 4 5 6 5 13 10 2 1 0 1 0 1 1 0 1 1 1 1 0 1 1 1 57 39 3 1 0 1 1 0 0 2 3 1 100 21 1 3 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 t 1H J 9 | 74 73 m 2H | 70 70 ddt 2H J 17 86 99 | 62 62 s 2H | 59 59 tt 1H J 8 32 | 39 39 d 2H J 7 | 35 34 dt 2H J 10 32 | 29 28 dd 2H J 42 54 | 28 28 ddq 2H J 8 39 49 | 27 27 t 2H J 62 | 18 17 qt 2H J 63 84 | 11 10 t 3H J 83 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=c1ccc(-c2nc3ccccc3s2)cn1Cc1ccc(Cl)c(F)c1 | ir: 1 2 1 3 8 3 1 1 0 3 1 0 1 1 1 0 2 2 0 0 1 1 1 15 2 1 2 1 1 0 0 1 1 1 1 4 1 1 1 3 4 5 67 17 1 0 1 0 3 2 1 0 2 3 3 12 7 44 11 3 2 1 1 1 4 3 1 6 36 2 0 0 0 3 4 0 0 0 0 0 0 1 7 2 1 3 1 1 0 0 2 6 7 18 6 3 1 1 0 1 8 1 0 2 1 0 2 4 2 0 1 0 0 4 0 0 0 3 6 9 2 1 1 2 8 3 2 1 1 1 5 5 15 2 4 3 1 12 1 16 20 8 18 3 1 2 1 3 18 6 3 4 4 2 2 2 2 14 2 5 2 0 0 1 3 14 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 1 1 0 1 3 5 1 9 100 31 31 22 8 4 2 1 1 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dt 1H J 10 16 | 80 79 m 3H | 75 75 td 1H J 16 73 | 75 74 td 1H J 14 75 | 74 73 dd 1H J 47 93 | 72 72 dq 1H J 10 92 | 71 70 dq 1H J 9 122 | 67 67 d 1H J 93 | 52 51 q 2H J 9 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C=CCOc1ccc(COCC(=O)OC)cc1 | ir: 5 6 4 3 4 4 6 9 3 4 3 5 2 2 3 2 3 2 1 3 4 6 3 4 3 5 12 12 8 4 3 2 3 1 1 1 1 2 1 6 1 1 1 1 2 6 5 3 6 5 5 3 7 16 19 60 15 18 6 4 3 3 8 16 13 14 7 13 23 42 9 12 15 11 14 31 13 6 3 2 2 1 2 1 2 1 7 5 4 2 4 3 1 2 4 3 3 27 10 4 4 3 8 4 1 1 2 1 0 1 3 1 2 2 3 3 2 3 8 15 7 16 7 5 7 4 4 9 8 3 7 3 4 5 5 2 4 11 14 3 3 3 2 3 41 11 12 13 16 11 4 1 15 4 1 1 2 2 1 1 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 1 2 2 3 6 7 1 3 4 3 3 4 9 5 12 20 100 23 6 9 6 3 4 5 5 1 1 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 dt 2H J 9 86 | 69 68 m 2H | 61 60 ddt 1H J 56 114 170 | 54 53 m 1H | 53 52 ddt 1H J 13 24 168 | 46 46 d 2H J 9 | 46 45 dt 2H J 13 55 | 42 41 s 2H | 37 37 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 | ir: 1 1 0 1 1 1 1 1 4 3 5 4 2 5 3 2 1 1 1 1 1 1 0 1 1 1 1 3 1 2 4 10 7 6 5 16 18 14 7 5 16 54 23 24 7 6 13 9 6 1 2 2 2 6 1 5 11 1 5 5 2 4 3 1 2 2 1 1 9 7 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 2 1 4 1 0 1 6 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 3 4 1 2 1 1 2 3 2 6 5 5 10 7 1 2 3 8 3 6 8 14 5 4 8 4 1 1 2 0 4 18 100 31 26 25 5 6 5 2 14 6 7 4 2 2 1 0 0 1 1 0 3 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 1 1 5 15 16 22 43 99 10 11 5 3 3 1 1 0 1 1 1 1 1 1 1 1 1 1 2 3 8 4 1 10 24 7 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; 1HNMR: 95 95 s 1H | 79 78 m 2H | 77 77 m 2H | 76 75 m 6H | 14 14 s 8H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CN1Cc2cc(C(c3ccccc3)n3ccnc3)ccc2NC1=O | ir: 2 3 16 4 9 3 6 4 2 2 4 2 1 1 2 6 2 2 2 2 1 3 1 1 1 1 2 1 2 2 3 2 7 27 3 9 2 3 3 17 7 2 2 14 3 13 2 2 3 16 7 4 2 1 9 27 2 2 1 1 1 4 4 2 1 2 4 12 5 4 2 1 2 2 4 5 2 2 3 5 2 5 2 1 1 3 9 11 6 3 3 2 1 4 4 12 4 5 2 2 3 2 6 6 1 1 1 1 1 3 2 2 3 1 2 5 2 3 10 6 5 6 9 4 4 2 1 2 2 3 3 4 4 2 2 10 3 1 1 1 1 2 6 45 13 3 2 1 2 2 7 3 5 20 76 7 2 2 2 4 2 0 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 2 2 5 5 7 7 12 7 100 15 25 8 3 2 3 2 1 2 2 1 1 1 1 1 2 1 4 4 6 3 2 4 23 22 6 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; 1HNMR: 77 77 s 1H | 77 76 dt 1H J 10 21 | 73 72 m 7H | 72 71 m 3H | 62 61 q 1H J 10 | 48 47 d 2H J 9 | 31 31 s 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COC(=O)c1cc(/C=C/c2cnc(N)nc2)c(F)c(OC)c1 | ir: 6 8 16 19 3 5 5 4 3 4 8 7 6 3 3 5 4 3 6 5 3 2 10 14 5 10 15 8 5 3 3 3 3 7 8 23 35 28 26 15 9 8 10 5 7 2 3 2 3 4 3 3 4 5 7 4 3 3 4 1 3 2 3 2 2 2 2 8 6 9 11 9 5 5 5 11 4 1 2 1 1 1 1 1 1 2 2 1 1 1 2 3 2 4 2 3 4 2 1 2 2 3 1 1 2 5 11 6 1 3 6 3 1 2 2 3 3 2 3 8 4 3 6 10 10 6 5 11 14 4 3 7 6 5 4 5 4 5 4 5 4 4 8 14 29 53 100 64 16 6 4 7 4 6 4 3 6 3 3 23 2 2 1 1 1 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 3 6 4 4 5 14 10 4 2 1 1 1 2 2 2 1 1 2 2 1 3 3 4 15 13 2 2 6 2 2 1 1 5 4 7 13 98 22 9 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: 87 87 s 2H | 79 79 m 1H | 76 75 d 1H J 176 | 75 75 dd 1H J 22 37 | 74 73 dd 1H J 40 176 | 66 66 s 2H | 39 39 d 6H J 42 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccnc(N(C)C(C)C)c4)cc3c21 | ir: 2 2 1 1 2 3 8 4 4 0 0 1 1 8 3 2 1 2 0 15 3 2 4 2 4 2 3 2 1 5 1 1 1 5 14 0 2 2 7 20 2 1 0 1 1 9 3 2 1 4 4 1 1 2 2 2 5 5 6 2 2 2 8 3 9 5 5 12 12 6 5 4 3 7 10 2 2 2 3 7 4 5 4 5 1 1 1 1 1 6 2 1 1 1 1 13 29 9 1 1 0 1 1 1 1 1 0 1 1 1 2 7 22 2 4 2 4 4 2 6 7 3 3 3 4 3 2 3 3 2 2 2 1 2 2 1 2 28 3 1 34 2 2 8 4 3 10 12 2 5 7 100 0 8 14 17 2 5 18 5 2 2 13 3 1 1 1 1 8 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 1 1 1 0 0 1 1 1 1 2 2 2 2 2 2 7 3 2 17 20 14 9 8 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 88 87 d 1H J 26 | 83 83 d 1H J 49 | 80 80 d 1H J 80 | 79 79 dd 1H J 24 81 | 74 74 dd 1H J 22 49 | 74 73 s 1H | 72 72 d 1H J 21 | 39 38 tq 1H J 15 75 | 38 38 s 3H | 36 36 s 3H | 31 31 d 3H J 14 | 22 22 s 3H | 13 12 d 7H J 75 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)CNC(=O)Nc1ccc(C=NN)cc1 | ir: 1 2 3 7 10 3 6 4 5 8 10 5 23 11 16 36 45 26 26 23 28 24 28 33 21 22 26 12 5 4 3 4 4 3 3 2 3 6 7 14 28 14 29 6 7 8 5 2 2 4 6 5 4 7 12 0 20 1 5 7 5 3 4 3 3 1 1 2 3 3 3 3 10 5 9 5 5 2 2 2 7 4 6 13 4 3 5 2 3 4 3 3 2 2 2 3 12 5 11 14 1 4 9 10 14 6 1 1 1 1 1 2 2 3 3 4 10 8 3 6 7 6 7 33 6 24 7 11 5 2 0 1 1 0 0 1 1 1 1 2 4 4 5 14 12 24 18 10 17 23 24 11 13 23 15 9 5 2 1 11 16 30 11 11 4 3 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 2 1 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 3 2 1 1 1 0 1 2 2 3 11 7 20 41 15 4 5 1 2 2 2 2 2 2 2 2 3 2 1 2 2 5 4 43 8 12 24 100 60 27 10 11 29 57 76 17 8 10 3 4 3 3 2 3 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 s 1H | 76 76 s 1H | 76 75 m 4H | 75 74 t 1H J 57 | 57 56 s 2H | 42 42 q 2H J 66 | 39 39 d 2H J 57 | 13 12 t 3H J 66 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CC#CCNC(=NC#N)SC | ir: 3 2 3 3 3 3 4 5 5 5 6 10 6 9 23 18 24 6 10 9 12 7 9 5 7 6 4 4 4 4 3 3 3 2 4 3 4 3 3 3 3 2 3 4 5 4 4 2 3 3 2 3 2 3 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 3 3 3 8 3 3 2 4 16 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 3 5 57 4 5 3 6 16 5 3 5 6 4 3 11 6 15 5 3 2 2 3 7 4 2 2 2 2 2 2 2 2 2 2 2 2 2 4 9 5 7 7 41 57 7 5 6 5 3 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 1 2 4 0 30 1 0 2 3 2 2 8 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 2 2 3 2 3 2 2 2 3 3 4 3 7 10 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 3 7 8 6 4 24 100 20 13 16 8 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 74 74 t 1H J 18 | 43 42 m 2H | 25 25 s 3H | 18 18 t 3H J 25 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1cc(N)cc(S(=O)(=O)C(C)C)c1 | ir: 27 46 33 22 19 30 14 12 5 3 2 2 9 24 19 2 5 6 10 5 8 8 4 2 1 4 1 1 3 2 8 5 10 34 15 2 2 3 1 1 1 2 1 1 1 2 2 1 2 1 2 2 2 1 2 11 4 2 2 2 4 4 7 20 12 33 20 17 6 5 3 3 5 9 4 1 2 2 2 4 24 9 1 2 11 56 1 0 2 2 2 4 9 35 6 9 5 1 1 2 1 2 4 10 17 8 2 14 15 9 3 1 2 2 2 1 2 3 4 3 7 5 1 2 3 4 12 2 3 1 2 1 1 0 1 1 1 0 0 1 1 0 0 2 1 0 0 2 2 0 2 10 20 17 42 57 6 3 3 5 2 2 33 3 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 4 3 4 5 3 11 8 5 11 20 8 6 3 1 1 2 1 1 1 1 1 1 0 1 2 2 1 100 66 13 7 3 1 0 1 1 1 1 5 50 41 11 4 1 0 1 1 1 0 1 2 1 0 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 73 73 t 1H J 23 | 70 69 t 1H J 22 | 65 65 m 1H | 50 49 s 2H | 33 33 p 1H J 85 | 23 23 s 3H | 13 13 d 6H J 86 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
N#Cc1cc(-c2ccnc(Cl)n2)ccc1OC1CCOCC1 | ir: 5 5 5 6 4 7 3 4 4 5 5 4 6 5 7 3 5 4 3 3 3 3 3 3 7 6 5 4 2 5 3 5 8 8 17 22 25 3 4 7 4 4 3 3 8 100 2 8 3 0 3 5 3 0 5 9 3 3 3 4 3 1 3 5 5 3 3 5 12 3 4 15 30 10 10 12 8 5 5 4 3 4 10 5 2 3 3 3 2 3 3 3 2 3 3 3 2 2 3 3 3 3 3 3 4 3 3 4 7 9 10 20 6 7 6 4 3 4 5 5 3 4 11 6 4 8 5 4 3 3 5 7 9 30 8 4 3 3 5 1 40 22 4 7 6 4 4 22 34 27 14 13 5 15 5 4 15 4 3 3 3 3 4 15 4 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 4 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 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 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 2 3 2 3 3 3 4 3 3 5 3 4 4 4 3 4 4 16 12 9 45 38 17 6 5 2 3 3 3 2 2 2 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 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 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 88 87 d 1H J 46 | 82 81 d 1H J 22 | 80 79 dd 1H J 22 92 | 79 79 d 1H J 44 | 72 72 d 1H J 91 | 48 47 p 1H J 50 | 38 37 ddd 2H J 37 63 112 | 37 36 ddd 2H J 37 63 112 | 22 21 dddd 2H J 37 50 64 141 | 20 19 dddd 2H J 37 51 64 141 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3c(cnn3C(=O)OC(C)(C)C)c2)c1Br | ir: 6 11 13 13 2 4 5 6 1 6 7 11 21 7 16 12 16 11 8 7 5 7 4 8 5 4 6 3 12 16 8 5 3 4 2 2 5 5 5 6 6 22 6 5 12 8 2 2 2 1 3 5 9 18 19 28 11 8 8 7 11 8 21 11 15 13 14 6 4 10 4 0 1 2 3 2 4 2 2 2 3 1 0 1 2 2 8 6 4 4 3 1 3 1 2 1 2 7 6 2 10 16 3 9 12 30 65 13 0 3 5 3 3 2 9 7 6 39 20 28 24 16 16 24 40 21 11 5 22 32 19 26 26 12 3 10 3 9 2 2 3 9 7 58 16 14 14 7 10 9 14 10 52 47 10 3 5 25 3 1 2 2 4 1 1 1 1 8 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 1 0 1 0 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 1 0 1 1 0 1 1 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 5 6 7 5 3 2 2 2 3 5 3 9 15 40 38 100 17 93 64 86 10 14 17 5 5 3 3 2 1 2 2 4 3 1 2 2 4 10 8 7 17 7 5 24 52 27 6 1 1 1 1 1 1 0 1 1 1 0 1 1 2 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 88 88 s 1H | 85 84 m 3H | 79 78 dd 1H J 21 83 | 16 15 s 8H | 16 15 td 1H J 66 76 | 14 13 m 1H | 13 12 tq 1H J 64 77 | 12 11 ddd 1H J 62 75 82 | 9 9 d 3H J 65 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(F)(F)F)s1 | ir: 4 8 8 10 3 6 6 3 2 6 3 5 3 7 15 4 4 7 5 12 10 12 10 7 4 4 5 2 1 4 3 2 2 8 4 1 3 11 5 2 2 4 3 1 2 3 3 1 2 4 3 1 7 10 64 70 14 11 11 43 48 16 3 0 10 6 7 21 34 6 4 3 4 5 3 2 3 3 2 2 3 3 2 3 6 13 22 4 4 8 5 6 11 4 3 2 6 19 100 7 4 4 2 3 5 3 0 3 16 27 13 24 0 8 16 12 10 22 38 9 6 6 3 21 22 14 25 6 5 3 3 3 3 2 2 3 3 2 2 3 3 6 11 30 13 3 3 6 11 14 9 7 27 12 7 12 7 3 3 16 22 2 4 21 6 2 3 4 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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 3 3 6 6 10 12 40 62 34 63 12 8 9 9 5 2 4 4 3 2 2 3 2 2 2 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 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 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 1 2 3; 1HNMR: 80 80 dd 1H J 21 87 | 79 79 d 1H J 86 | 76 76 d 1H J 21 | 73 73 dq 1H J 21 93 | 72 72 d 1H J 94 | 39 39 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CNC(=O)c1cc2c(-c3cc(C(F)(F)F)ccc3Oc3ccc(F)cc3F)[nH]c(C)c2c(=O)[nH]1 | ir: 13 15 15 14 15 18 16 14 15 14 14 15 16 15 16 17 18 13 20 16 16 15 15 15 24 15 14 13 15 21 14 15 15 14 15 15 18 25 47 35 12 17 19 13 54 36 28 14 15 16 17 12 61 52 22 37 16 14 16 18 14 14 14 16 15 15 17 21 28 17 16 15 16 13 15 15 16 20 15 15 14 14 14 14 14 14 15 18 28 18 48 17 15 15 13 21 18 15 0 23 14 13 17 16 13 17 17 14 14 28 18 34 8 37 22 22 18 17 16 16 21 17 14 31 17 22 25 28 15 20 16 14 14 15 16 14 22 22 14 15 17 41 17 22 18 10 58 25 27 20 76 17 19 17 15 15 18 15 15 14 14 48 15 22 15 14 14 14 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 14 14 14 14 14 14 14 13 13 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 13 14 14 14 14 14 14 14 13 14 14 14 14 14 14 13 14 14 14 13 14 14 14 14 14 14 14 13 14 14 14 13 14 15 15 14 16 27 24 12 25 100 23 25 16 16 15 15 16 14 14 16 14 14 15 18 17 15 15 15 15 21 22 28 38 18 47 47 35 23 19 17 15 15 15 15 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14 14; 1HNMR: 97 97 s 1H | 80 79 dq 1H J 13 25 | 79 78 s 1H | 78 77 ddt 1H J 14 27 64 | 73 72 d 1H J 72 | 72 71 m 1H | 70 69 m 3H | 28 28 d 3H J 48 | 25 25 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1ccc(Cc2nc3cc(C(=O)OC)cnc3n2CC2CC2)cc1 | ir: 12 14 20 21 5 3 11 6 16 9 11 9 10 26 32 11 6 5 5 5 12 7 10 32 46 6 4 4 8 7 9 19 22 6 12 14 13 10 13 45 39 4 7 11 6 10 8 3 7 8 20 24 24 13 14 27 34 18 12 14 6 0 6 7 23 14 3 7 10 9 10 5 4 9 7 17 10 5 4 3 1 3 6 5 4 6 10 14 5 4 3 2 7 6 12 20 29 8 15 10 3 3 5 8 3 3 2 2 2 11 10 3 8 7 21 31 8 14 14 6 17 20 19 10 10 13 52 26 40 13 8 4 3 11 7 10 3 3 3 5 13 55 37 13 30 24 29 43 90 53 25 12 21 30 6 7 13 76 67 2 2 9 33 16 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 3 4 2 4 4 9 5 3 3 10 7 4 14 8 14 4 89 100 92 17 9 10 9 5 5 4 4 2 2 2 3 3 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; 1HNMR: 90 89 d 1H J 18 | 82 82 d 1H J 16 | 72 71 dt 2H J 9 85 | 68 68 m 2H | 42 42 t 2H J 8 | 42 41 d 2H J 60 | 41 40 q 2H J 66 | 39 39 s 2H | 15 14 t 3H J 67 | 13 12 hept 1H J 56 | 6 6 m 2H | 4 3 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CSCc1ccoc1C=O | ir: 7 9 8 6 1 100 5 8 2 6 6 3 0 4 6 2 1 5 6 3 2 7 14 7 9 12 13 4 5 7 6 0 4 26 83 73 10 13 14 12 21 9 19 3 12 17 10 3 3 5 4 2 3 6 7 5 4 6 10 1 4 6 3 1 3 5 3 2 6 10 7 2 8 12 21 27 27 9 6 16 21 27 24 55 14 7 6 6 6 5 3 9 22 23 3 4 6 5 3 3 7 8 9 40 37 20 0 6 11 13 13 10 16 25 68 83 35 35 25 9 15 7 5 13 12 4 1 5 6 3 1 6 6 3 1 4 6 2 2 5 5 2 11 14 6 4 6 5 4 2 3 13 13 6 6 97 92 6 4 5 4 1 3 5 3 1 3 5 3 1 3 6 3 0 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 5 2 4 9 7 3 4 7 9 7 10 10 6 6 10 12 14 23 60 19 9 43 36 56 74 64 19 17 7 3 4 6 3 1 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5; 1HNMR: 96 96 s 1H | 76 75 d 1H J 13 | 67 66 q 1H J 10 | 40 39 d 2H J 7 | 21 21 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1c(C(=O)O)cnn1-c1ccc(C(C)C)cn1 | ir: 2 5 14 7 2 4 4 3 1 3 2 7 5 2 13 3 5 3 6 12 8 100 78 37 9 5 3 13 48 24 4 2 2 2 1 2 2 2 2 3 7 9 3 2 1 2 1 1 2 1 1 3 3 4 65 9 3 2 1 1 2 1 2 3 1 2 3 5 3 21 11 4 5 5 6 2 9 62 54 6 4 2 2 1 2 2 6 6 6 3 12 3 2 2 3 5 2 1 2 4 2 2 1 2 2 2 6 4 2 1 1 1 2 1 1 3 8 4 7 6 12 13 8 33 6 4 5 4 7 2 3 1 1 2 3 16 14 2 4 6 5 2 1 6 11 1 3 2 2 16 16 6 15 16 3 3 20 44 2 1 2 20 3 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 1 1 1 1 2 2 1 1 3 5 4 9 9 10 14 17 8 6 2 3 2 2 4 77 72 35 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 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; 1HNMR: 85 84 dd 1H J 7 19 | 82 81 d 1H J 83 | 81 80 s 1H | 78 78 m 1H | 31 31 dddd 1H J 8 70 77 141 | 27 26 s 2H | 14 13 d 7H J 70 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOc1ccc(-c2nc(-c3cccc(-c4nnn[nH]4)n3)cs2)cc1OCC | ir: 1 3 4 3 1 6 5 3 1 3 4 6 4 4 6 3 1 4 6 2 2 3 3 2 2 3 4 2 2 3 3 2 2 2 3 3 2 3 4 4 3 4 15 14 100 14 7 5 4 11 34 14 6 73 31 8 6 9 3 0 3 6 3 9 3 7 12 17 26 21 12 4 9 13 3 5 5 7 4 5 3 3 2 1 3 4 3 3 5 12 6 17 15 5 2 2 11 4 3 2 5 3 1 2 5 7 0 67 0 3 2 3 6 5 4 4 5 3 2 4 4 4 2 4 7 3 1 4 6 3 1 6 6 5 2 10 12 2 2 35 10 14 4 12 3 3 4 3 7 28 7 83 9 12 3 8 4 1 2 4 3 2 9 5 4 1 2 5 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 4 1 2 4 3 1 3 4 3 1 2 6 8 5 11 15 7 23 40 59 11 9 6 5 3 2 3 4 3 2 3 3 3 2 3 3 2 3 4 4 6 5 30 52 24 13 6 4 2 2 4 3 2 2 4 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 83 82 m 2H | 82 81 dd 1H J 15 80 | 76 75 m 2H | 74 74 d 1H J 17 | 69 69 d 1H J 83 | 42 41 dq 4H J 63 203 | 15 14 t 6H J 62 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCOC(=O)c1cccnc1N1CCN(Cc2ccccc2)CC1 | ir: 7 3 3 1 4 2 5 3 1 3 3 4 7 3 2 1 2 3 2 1 0 1 3 1 1 1 1 2 5 2 1 4 4 1 2 4 4 3 29 25 31 2 5 6 4 1 4 4 1 0 1 1 1 1 1 1 1 1 1 3 9 3 3 1 4 3 3 1 5 2 1 1 1 1 2 1 2 0 9 11 27 7 18 3 5 6 8 2 2 7 1 1 1 2 1 1 2 4 4 4 4 9 2 3 4 3 1 1 1 1 1 1 1 2 3 1 3 11 5 1 1 1 1 2 1 6 4 13 5 4 2 1 4 4 3 16 10 17 16 5 20 3 5 28 3 1 1 2 1 2 18 7 2 1 5 44 3 83 1 2 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 5 5 8 100 23 6 2 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 1H J 21 47 | 80 80 dd 1H J 20 82 | 73 72 m 5H | 70 70 dd 1H J 48 82 | 43 42 q 2H J 64 | 38 38 t 4H J 53 | 37 37 d 2H J 9 | 31 30 dt 2H J 54 114 | 29 28 dt 2H J 53 114 | 14 14 t 3H J 64 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
c1cc(-c2cnc3[nH]c4cnc(-n5cnnc5)cc4c3c2)ccc1CN1CCCCC1 | ir: 6 6 7 6 7 6 7 6 11 21 4 18 8 17 14 6 4 3 4 8 16 4 21 3 10 30 13 38 20 7 7 3 3 8 5 5 9 71 51 23 10 6 6 2 5 5 3 7 11 4 4 3 6 10 51 5 10 87 31 6 4 4 4 3 27 22 14 22 40 7 6 2 8 7 2 4 16 19 9 7 11 13 32 50 7 7 10 8 9 4 18 9 4 5 15 21 21 30 47 13 21 5 7 2 4 1 4 7 28 16 3 7 35 29 14 14 6 6 5 5 2 6 8 9 4 9 25 12 13 9 4 3 8 10 2 4 8 30 12 5 17 12 3 3 61 35 5 4 10 25 44 38 25 7 7 4 21 56 6 42 3 1 4 61 8 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 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 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 4 3 3 3 3 2 2 3 5 9 25 22 37 72 72 10 12 10 3 2 4 2 2 0 1 1 0 0 1 1 1 1 3 2 2 4 6 5 7 100 86 22 11 10 4 2 1 1 2 2 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 94 94 s 2H | 91 91 s 1H | 87 86 d 1H J 18 | 83 83 d 1H J 18 | 77 77 m 2H | 76 76 s 1H | 74 74 dt 2H J 9 84 | 36 35 t 2H J 9 | 24 23 m 4H | 16 15 dtd 5H 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=CCC1(NC(=O)c2ccccc2)CCC1 | ir: 2 2 0 1 2 3 0 1 1 1 0 1 1 1 0 2 2 1 2 3 3 3 2 6 6 5 5 5 5 2 3 7 4 3 9 14 95 67 94 8 5 7 4 2 15 17 8 2 4 4 4 2 2 2 2 7 4 4 5 5 7 5 3 4 4 1 3 2 4 11 1 1 1 1 2 1 2 2 6 13 1 2 1 1 1 0 1 2 5 2 2 1 2 1 1 2 1 3 4 4 7 3 3 6 4 9 3 1 1 2 2 3 2 2 6 2 2 3 4 6 2 1 2 2 1 1 1 4 5 7 2 5 20 13 8 4 5 3 2 3 3 36 63 11 9 6 100 35 35 22 5 2 2 6 3 0 1 1 1 0 1 3 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 2 1 2 2 2 1 2 2 6 3 3 1 2 5 3 10 14 39 54 36 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 4 2 1 1 1 2 3 18 21 12 3 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 95 95 t 1H J 56 | 78 77 m 2H | 75 75 m 1H | 75 74 m 2H | 72 71 s 1H | 26 25 d 2H J 57 | 22 21 dt 2H J 75 126 | 19 18 m 2H | 18 16 m 2H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ncc(CCl)s4)c3)c2cc1OC | ir: 16 7 7 6 6 10 4 6 5 3 4 2 5 3 3 3 5 7 3 5 3 4 2 3 3 5 8 14 8 6 5 18 8 20 12 12 8 1 2 3 4 7 2 8 24 8 3 5 8 5 8 7 3 4 3 5 4 7 5 4 8 5 5 8 8 8 12 9 44 19 10 13 6 7 14 7 2 1 2 2 1 1 5 13 16 21 18 5 6 10 11 25 20 24 5 4 3 5 9 7 7 23 7 7 7 16 9 10 1 3 4 4 6 4 7 5 1 5 9 14 10 3 8 4 3 3 9 13 7 7 4 3 3 2 8 17 18 4 4 5 10 8 3 6 6 7 6 9 4 24 8 4 2 4 4 2 3 2 22 7 2 2 1 0 1 2 2 0 3 16 3 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 7 3 6 5 9 11 7 2 3 4 8 14 12 34 100 25 22 54 26 19 20 3 2 3 2 2 1 2 1 2 1 1 1 1 2 2 2 2 4 7 30 46 9 8 10 2 1 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 85 s 1H | 76 75 d 3H J 110 | 74 74 t 1H J 9 | 74 74 s 1H | 73 72 s 1H | 52 51 d 2H J 9 | 48 47 d 2H J 9 | 39 39 s 3H | 39 38 s 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
[C-]#[N+]C(CC)(Cc1cc(OC)c(OC)c(OC)c1)c1cccs1 | ir: 9 9 10 10 9 11 10 9 9 9 9 9 9 9 10 10 11 11 10 16 11 11 13 10 10 10 10 9 10 12 11 10 14 10 9 9 9 10 12 9 32 9 9 10 10 8 9 9 9 8 9 9 9 8 9 9 9 9 9 9 10 9 9 11 9 9 9 10 13 13 10 11 10 10 9 9 9 12 9 10 9 9 9 9 9 9 9 9 9 9 9 10 16 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 19 11 10 11 9 9 12 10 10 9 9 9 10 9 9 16 8 9 9 9 9 9 9 10 9 9 9 9 9 10 10 10 9 8 8 9 9 13 9 9 12 9 9 9 9 10 11 10 9 7 8 10 9 6 9 13 8 0 16 100 11 16 8 5 9 11 8 7 9 10 8 7 9 10 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 9 9 8 9 9 9 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 9 9 8 9 9 9 8 9 10 10 9 9 9 9 9 9 10 12 11 10 15 15 28 25 18 10 9 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 9 9 8 9 9 9 8 9 9 9 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 8 9 9 8 9 9 9 8; 1HNMR: 75 75 dd 1H J 17 39 | 71 70 dd 1H J 18 57 | 70 70 dd 1H J 38 57 | 64 64 t 2H J 9 | 39 38 d 9H J 22 | 37 36 dt 1H J 9 119 | 34 34 dt 1H J 9 121 | 26 25 dq 1H J 61 129 | 23 22 dq 1H J 61 132 | 11 10 m 3H | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
CCCC1(CC(=O)OCC)OCCc2c1[nH]c1c(C)c(C(=O)OCc3ccccc3)cc(Br)c21 | ir: 20 18 6 33 13 12 20 7 10 5 2 5 5 7 1 3 5 1 1 6 12 5 1 5 8 8 10 7 8 8 8 13 6 13 4 13 21 32 11 28 40 12 6 8 6 3 10 6 3 2 3 5 3 0 2 5 4 1 3 7 2 0 3 13 13 1 10 24 15 7 8 5 6 5 12 14 7 3 6 4 2 0 3 4 2 1 3 5 9 21 7 5 3 15 5 5 5 14 17 13 6 4 8 7 6 16 19 20 5 6 13 9 4 6 6 5 6 9 11 32 26 26 14 4 8 8 9 15 12 11 18 24 14 22 16 44 10 7 4 5 6 16 38 100 42 15 22 15 10 9 4 3 4 15 10 1 6 9 3 1 2 4 7 4 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 4 2 4 5 5 4 8 7 7 5 4 6 7 5 7 24 45 30 42 86 32 10 5 5 2 2 3 4 2 0 3 3 2 1 3 3 2 1 4 3 2 2 7 9 19 58 19 14 4 5 4 5 3 2 4 3 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0; 1HNMR: 87 86 s 1H | 79 78 s 1H | 74 73 m 6H | 53 53 t 2H J 8 | 42 41 q 2H J 66 | 41 40 ddd 1H J 37 56 110 | 39 39 ddd 1H J 38 58 112 | 35 34 d 1H J 176 | 32 31 d 1H J 174 | 30 29 m 2H | 26 26 s 2H | 26 25 m 1H | 24 23 dt 1H J 70 138 | 18 17 dh 1H J 73 132 | 17 16 dh 1H J 73 130 | 13 12 t 3H J 66 | 10 10 t 3H J 73 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
O=C1CC(c2cccnc2F)CN1 | ir: 1 1 1 1 0 5 8 5 23 9 3 2 2 1 1 13 8 2 10 8 27 41 16 7 2 3 3 1 2 1 1 1 2 2 1 2 13 95 8 3 2 3 1 2 2 0 10 3 1 1 1 1 1 1 1 3 9 3 2 2 2 6 30 18 1 1 2 4 1 1 1 1 1 2 1 1 1 0 1 4 3 1 1 10 3 1 2 2 2 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 7 2 0 1 1 3 15 42 10 4 6 5 2 2 6 3 3 3 10 18 3 19 27 44 67 32 7 4 2 1 1 1 3 9 15 7 3 1 1 1 2 12 11 2 2 4 13 32 54 43 23 23 8 1 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 3 3 4 7 3 2 3 3 5 1 5 6 4 2 7 31 8 2 2 1 1 1 1 1 1 1 1 1 2 3 7 3 1 1 1 2 8 11 100 31 10 11 2 2 1 1 1 0 1 0 1 1 1 1 1 1 1 1 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 ddd 1H J 21 38 51 | 77 76 m 1H | 72 71 dd 1H J 52 89 | 60 60 t 1H J 37 | 38 37 t 2H J 37 | 36 36 ddtd 1H J 7 35 60 96 | 26 26 dd 1H J 61 160 | 24 24 dd 1H J 61 161 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
Cc1ccc2[nH]c(-c3cc(N4CCC(C(=O)N5CCNCC5)CC4)ccc3F)nc2c1 | ir: 4 4 3 5 5 3 2 2 3 2 2 2 2 2 1 2 5 7 4 27 7 6 4 5 3 7 5 31 12 5 3 5 2 4 4 7 5 15 3 2 2 2 8 3 4 1 2 5 8 9 12 52 100 81 75 11 6 7 4 6 2 3 5 5 8 8 4 6 10 15 9 15 3 3 2 2 2 2 2 2 5 1 2 2 3 8 13 4 2 8 4 3 2 4 3 2 2 5 3 4 7 9 5 5 5 9 10 14 16 21 19 13 13 8 7 31 7 11 10 5 3 6 4 6 10 8 6 6 7 15 8 3 3 4 8 5 3 2 5 5 7 4 5 10 8 24 7 34 0 8 5 8 3 23 11 6 13 2 2 1 1 3 2 6 3 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 2 3 2 2 2 6 2 3 4 14 8 13 44 25 6 7 3 2 1 3 2 1 2 2 2 2 2 3 2 4 4 11 33 6 5 4 7 8 24 16 10 6 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; 1HNMR: 74 73 m 2H | 72 71 m 2H | 71 70 dd 1H J 21 36 | 69 68 ddd 1H J 22 37 86 | 36 35 m 6H | 33 33 ddd 2H J 61 88 126 | 29 29 m 4H | 26 25 p 1H J 60 | 24 24 d 3H J 8 | 22 21 m 3H | 19 18 ddt 2H J 60 88 123 | You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra. |
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