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CC1=Cc2cccc(Sc3cccc4c3CC(C)=C4)c2C1
ir: 1 1 1 1 2 7 5 2 1 1 0 0 0 0 0 0 6 1 1 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 4 2 0 1 0 1 1 0 0 1 1 0 4 43 8 6 2 0 1 1 0 0 1 1 1 5 9 3 1 4 4 3 5 1 1 1 1 2 4 11 2 0 1 1 0 0 1 5 3 2 61 3 3 1 0 3 3 1 2 4 1 1 0 0 0 1 2 7 3 9 14 2 1 1 1 1 1 10 3 1 1 1 1 1 2 4 3 10 5 2 1 2 1 1 3 5 0 1 1 1 4 8 2 2 63 6 2 2 1 1 1 1 1 0 0 1 4 5 1 1 1 2 3 0 1 6 6 2 1 0 0 1 0 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 2 3 2 2 2 2 4 2 4 23 11 23 100 45 7 6 2 2 1 2 2 1 0 0 1 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4H | 70 69 dd 2H J 16 75 | 67 66 m 2H | 38 37 d 4H J 10 | 22 21 d 6H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1cc(OS(=O)(=O)C(F)(F)F)ccc1Cl
ir: 20 3 6 2 11 8 12 9 26 63 100 6 8 15 18 8 9 5 2 3 3 4 3 19 0 7 3 1 1 3 5 9 2 6 3 2 2 1 2 6 2 1 1 0 0 1 1 3 3 13 12 1 6 9 12 6 4 0 1 2 2 5 13 10 5 3 3 2 10 12 42 23 5 6 3 6 1 1 1 1 1 2 2 0 12 95 58 3 5 4 2 9 2 12 6 6 14 38 37 8 3 4 2 1 0 1 1 1 2 1 2 3 3 8 2 2 4 2 3 4 8 5 1 1 2 2 1 3 4 5 4 3 1 1 1 0 0 1 2 1 35 18 6 13 20 21 2 4 12 9 2 3 6 16 3 1 0 1 0 0 1 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 2 3 5 1 1 1 2 3 5 17 17 9 9 57 21 5 3 2 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 86 | 72 71 dd 1H J 20 86 | 71 70 dt 1H J 9 20 | 42 41 q 2H J 66 | 37 37 d 2H J 7 | 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.
COC(=O)C(C)(C)c1cn(C(=O)OC(C)(C)C)c2ccc(F)cc12
ir: 18 25 40 8 6 5 6 4 9 10 22 24 4 8 12 10 12 2 19 5 2 4 6 3 4 5 3 2 2 6 3 2 2 3 3 3 5 3 3 2 3 3 3 5 7 4 3 2 2 3 3 2 5 6 18 23 5 3 8 8 6 0 9 6 17 17 9 20 7 7 5 3 3 3 2 4 4 3 3 2 3 3 3 3 22 7 5 8 3 5 3 4 5 4 7 28 6 5 6 7 6 5 11 6 10 4 2 2 3 3 2 5 11 11 5 10 40 13 18 17 13 22 10 5 12 6 7 9 6 15 80 13 5 5 5 3 3 3 4 2 1 5 7 3 92 30 5 6 16 100 11 1 3 92 22 11 4 0 2 5 3 1 3 4 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 3 3 4 5 5 3 4 2 2 3 3 3 4 5 6 11 22 23 15 12 27 47 22 28 9 5 3 3 3 3 3 2 2 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 80 79 dd 1H J 46 81 | 79 79 s 1H | 74 74 dd 1H J 26 121 | 72 71 ddd 1H J 26 81 105 | 37 37 s 3H | 16 16 s 9H | 16 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc21
ir: 5 3 8 12 5 3 10 5 4 4 8 7 21 9 4 2 1 1 3 9 3 6 5 5 3 2 3 3 3 14 13 2 19 8 28 100 28 35 13 22 12 0 17 70 11 2 1 3 2 1 2 2 1 0 1 3 2 0 2 2 5 8 7 9 3 1 1 2 3 3 5 3 2 1 6 6 12 4 3 4 1 2 5 4 2 1 2 2 9 22 5 2 1 1 5 5 3 4 5 4 7 11 2 2 1 5 21 3 0 8 2 2 1 2 2 2 2 5 9 11 6 11 18 6 2 3 4 5 2 58 20 7 3 4 2 2 1 2 8 3 2 2 3 5 27 34 27 6 5 17 6 3 15 9 5 8 10 3 2 1 2 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 1 1 3 2 1 2 4 4 5 3 14 11 8 5 18 14 6 2 2 2 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 2 4 8 48 86 54 6 4 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 74 74 dd 1H J 14 83 | 72 71 td 1H J 13 77 | 70 69 m 2H | 62 62 d 1H J 82 | 46 46 m 1H | 41 40 dd 1H J 44 130 | 38 38 dd 1H J 50 129 | 30 30 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)[C@H](N)C[C@@H]1C(=O)O
ir: 1 1 1 0 1 1 2 2 2 1 2 3 4 1 3 1 1 1 2 3 5 5 5 25 28 32 42 2 0 2 4 4 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 2 2 6 9 1 1 3 2 1 2 4 5 25 39 20 6 5 5 4 10 6 2 2 1 5 7 8 20 28 7 3 1 1 4 3 3 2 3 2 2 2 2 1 1 2 3 4 3 2 2 1 0 1 4 5 4 2 1 0 1 1 3 2 1 1 2 1 3 3 2 2 2 2 2 1 1 5 4 2 1 1 8 3 5 2 5 3 6 28 36 4 1 0 1 16 12 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 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 1 1 0 1 0 0 0 0 3 2 1 1 1 2 1 4 3 3 1 0 0 0 0 0 0 1 3 11 48 100 22 3 11 16 8 4 2 2 1 2 23 11 7 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 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; 1HNMR: 30 30 ddtt 1H J 15 56 71 86 | 29 28 d 2H J 70 | 25 24 dddt 1H J 16 31 74 88 | 21 21 ddd 1H J 72 89 134 | 19 18 ddd 1H J 70 85 134 | 11 10 t 3H J 14 | 10 10 t 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1n(CCc2cc(C3CC3)ccn2)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
ir: 5 7 6 4 3 5 6 5 4 2 6 3 1 2 3 4 5 6 5 3 4 3 2 2 3 3 5 13 12 28 57 14 17 6 7 8 10 3 12 17 9 7 7 2 5 5 4 3 3 2 2 1 4 4 10 16 7 8 2 0 2 3 2 5 10 13 8 7 7 19 14 22 8 9 7 1 2 3 1 1 4 2 1 3 4 1 2 3 10 2 7 10 18 8 4 5 9 23 27 55 48 100 41 9 30 10 3 2 9 8 6 4 4 26 4 4 7 5 14 22 6 8 16 8 8 17 9 9 12 6 3 6 7 3 1 4 6 6 6 8 11 3 2 20 36 8 6 7 43 6 4 8 9 4 2 2 2 2 16 36 6 2 7 6 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 1 3 3 2 1 3 3 2 11 9 9 9 16 69 64 39 16 12 4 6 5 2 1 1 1 1 1 1 3 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 d 1H J 47 | 82 82 d 1H J 15 | 77 77 dd 1H J 16 92 | 74 73 m 3H | 72 72 m 2H | 71 71 ddd 1H J 7 22 48 | 69 69 dq 1H J 9 18 | 43 42 t 2H J 66 | 32 31 td 2H J 9 66 | 27 26 m 1H | 17 16 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCSc1cccc(Nc2nc(Cl)ncc2Cl)c1
ir: 1 1 2 2 2 2 1 4 0 1 6 18 8 2 5 1 0 1 1 1 1 3 3 2 5 25 2 6 2 1 5 9 1 2 1 4 3 17 15 5 2 2 3 8 4 1 2 8 24 0 1 1 1 1 1 3 1 1 1 1 1 1 1 2 0 1 4 9 3 1 0 1 0 0 1 0 0 1 1 2 1 3 3 4 10 44 26 16 11 10 2 2 6 3 1 3 1 1 1 1 2 1 0 0 2 4 3 4 1 1 0 1 18 1 1 1 1 2 1 2 1 1 1 1 3 2 2 6 5 2 1 0 0 0 0 0 1 4 2 1 4 2 36 3 1 1 1 0 0 0 96 3 3 33 9 15 7 2 1 1 0 1 17 10 2 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 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 3 4 5 13 10 5 2 1 3 4 10 100 27 7 4 4 3 0 1 2 1 1 2 1 1 3 3 22 39 11 2 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H | 85 85 s 1H | 76 75 ddd 1H J 12 21 77 | 74 73 t 1H J 22 | 73 72 dd 1H J 68 77 | 71 71 ddd 1H J 13 22 70 | 38 37 dt 2H J 47 55 | 31 31 t 2H J 46 | 23 22 t 1H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CCN)ccc1OCCCc1ccccc1
ir: 1 3 2 2 1 2 4 4 3 4 2 1 3 3 2 1 2 2 2 2 3 5 4 3 6 5 4 2 2 4 15 15 4 4 6 4 10 9 11 39 29 13 7 23 21 9 5 3 6 8 14 15 21 39 77 48 17 24 8 3 3 3 4 4 10 7 18 40 71 28 24 100 34 46 18 9 13 4 14 5 24 30 5 3 3 3 9 10 10 7 15 9 4 8 3 3 3 5 4 5 10 2 1 1 1 1 2 1 3 2 3 2 3 6 7 7 4 4 5 6 7 7 9 10 9 9 7 12 20 8 25 23 36 25 38 30 12 25 5 5 4 8 34 32 16 2 4 3 4 10 13 22 31 9 4 2 1 1 1 2 1 1 2 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 0 1 0 0 1 0 0 0 1 0 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 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 3 2 3 2 4 2 3 3 5 18 24 25 21 66 47 19 4 5 2 4 3 2 1 4 3 4 8 32 28 20 13 6 5 6 13 31 45 11 3 3 2 2 1 1 1 1 1 1 1 0 1 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 68 67 d 1H J 87 | 67 66 m 2H | 41 40 t 2H J 62 | 39 38 s 2H | 30 29 dddd 2H J 11 51 67 104 | 29 29 td 2H J 9 66 | 28 27 m 4H | 20 19 tt 2H J 62 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(c2coc3ccccc23)=Nc2cc3c(cc21)OCO3
ir: 2 4 2 2 1 0 1 0 0 2 1 1 0 1 2 7 2 3 5 1 0 0 1 0 1 0 1 2 2 1 1 0 1 4 1 1 4 5 3 0 2 2 26 27 3 4 7 5 2 4 1 3 1 5 12 13 5 1 2 3 1 1 1 1 0 11 8 38 13 4 1 1 1 9 3 3 1 0 0 1 5 7 3 3 2 2 0 0 1 1 1 0 0 0 0 1 1 0 2 1 0 3 4 0 0 0 1 1 2 2 3 2 1 1 1 4 3 1 3 1 11 4 2 2 3 2 14 12 3 4 9 2 1 1 1 2 2 8 3 0 1 2 3 2 100 3 1 0 1 5 10 0 30 26 3 2 2 1 1 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 2 1 1 1 1 2 1 2 7 6 8 46 23 8 8 7 4 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 81 80 m 1H | 76 75 m 1H | 74 73 m 3H | 72 72 s 1H | 62 61 s 2H | 41 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccccc1OC[C@@H]1CNCCO1
ir: 1 1 0 2 2 3 0 4 2 3 2 2 3 2 0 1 2 0 9 11 15 11 5 4 4 8 16 10 4 2 2 1 1 0 1 2 2 0 2 7 23 96 62 100 20 49 37 38 19 11 9 3 9 10 7 12 20 11 12 9 4 5 6 5 2 4 5 4 19 26 36 11 21 10 23 37 29 12 1 0 2 2 4 5 8 5 6 2 1 1 1 2 3 4 3 6 5 5 2 1 2 1 1 3 3 4 1 2 5 2 2 4 9 26 43 85 35 15 10 5 2 6 5 7 1 11 21 52 6 4 4 3 3 2 2 2 8 13 6 2 2 7 15 8 1 2 2 3 18 25 9 2 1 1 1 2 1 1 4 3 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 3 2 2 3 3 3 1 2 2 2 3 4 12 10 14 22 62 46 18 3 1 1 2 2 1 2 3 2 1 1 2 1 1 4 15 60 65 55 5 3 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 1 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; 1HNMR: 69 68 m 4H | 43 42 dd 1H J 49 125 | 41 41 q 2H J 62 | 41 40 dd 1H J 48 126 | 39 39 qd 1H J 16 47 | 38 37 ddd 1H J 21 41 114 | 37 36 ddd 1H J 21 41 114 | 30 29 m 3H | 28 27 ddd 1H J 44 51 132 | 22 22 tt 1H J 42 51 | 15 14 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(O)CCCN(CCCCCCC(=O)O)C(C)=O
ir: 4 4 2 4 2 4 1 3 3 2 3 6 11 5 6 5 8 7 9 9 30 21 49 13 15 6 4 8 10 7 5 3 3 1 2 2 2 3 2 3 3 3 2 3 2 2 3 3 2 0 1 3 2 0 1 2 2 0 2 3 1 1 1 3 3 1 3 4 3 4 5 6 2 0 3 6 6 17 23 19 15 15 2 5 3 9 19 19 21 12 22 4 4 3 3 2 1 6 4 3 2 3 4 3 1 3 6 7 9 7 6 3 4 4 3 3 5 2 5 7 6 2 4 2 8 4 3 2 5 6 4 3 2 4 8 3 3 3 3 3 2 4 8 19 8 7 9 9 5 2 2 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 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 4 6 3 2 2 2 3 4 6 16 7 8 4 3 1 2 1 2 2 3 5 20 100 65 19 5 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 100 99 s 1H | 37 36 pd 1H J 56 66 | 33 32 dt 3H J 62 124 | 31 30 dt 1H J 61 124 | 25 24 d 1H J 55 | 23 23 t 2H J 89 | 21 21 s 2H | 17 15 m 6H | 15 14 m 1H | 14 14 ddd 2H J 22 52 61 | 14 13 m 2H | 14 12 m 10H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(Cl)nc(N2CCN(C(=O)OC(C)(C)C)CC2)c1C
ir: 5 6 11 15 4 3 7 8 6 7 11 17 15 3 8 5 9 13 4 2 3 6 6 20 25 2 3 2 1 1 2 4 5 3 3 2 1 3 6 23 3 2 5 2 1 1 1 1 1 1 1 1 3 0 1 7 2 4 3 1 3 2 2 6 3 5 29 20 2 1 2 2 4 3 5 5 2 2 9 3 2 2 2 22 5 3 6 3 3 1 1 1 1 2 2 3 8 4 3 4 3 5 2 3 4 2 2 1 1 1 3 7 10 19 4 5 6 10 15 12 13 11 27 4 5 7 4 15 17 11 14 26 8 5 7 33 13 6 2 3 2 2 3 5 100 13 4 2 2 2 3 65 1 2 2 0 1 2 1 1 8 4 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 2 1 2 2 3 2 1 2 4 2 4 13 49 6 2 11 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 s 1H | 43 43 q 2H J 64 | 37 36 m 4H | 36 36 m 5H | 25 25 s 3H | 15 14 s 8H | 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.
C=C(C)c1ccc(N2CCN(C(=O)C(=O)O)CC2)c(C(C)(C)C)c1
ir: 2 1 0 1 2 1 0 1 2 2 2 2 4 4 5 4 7 12 12 22 20 27 24 4 5 2 3 2 1 1 1 2 3 5 3 3 3 5 12 11 4 1 1 1 1 1 1 1 2 3 1 1 1 1 6 7 4 2 2 3 2 2 2 3 2 1 5 5 2 8 6 7 3 3 10 3 3 3 9 11 9 7 4 3 2 7 3 3 2 3 6 3 6 2 13 8 3 5 5 4 7 6 7 1 2 4 3 1 0 1 3 3 2 3 2 1 2 2 2 3 4 2 4 2 2 3 3 3 3 3 5 4 5 10 6 2 1 3 4 3 7 13 4 1 1 3 3 11 7 5 13 3 2 2 2 3 12 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 2 9 8 4 8 10 5 2 3 16 3 2 2 100 16 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 99 98 s 1H | 71 71 m 2H | 66 66 m 1H | 52 52 dq 1H J 8 18 | 51 51 dq 1H J 15 27 | 36 36 m 4H | 33 33 m 4H | 21 21 t 3H J 12 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=Cc1ccccc1F
ir: 4 4 6 9 15 16 4 6 7 3 3 3 3 2 1 2 3 2 1 2 3 3 1 2 2 1 1 2 2 1 1 2 5 2 3 3 5 2 2 4 3 27 54 100 5 1 1 4 2 0 1 2 2 0 1 3 1 1 2 3 2 0 2 3 5 19 4 3 4 2 2 2 1 4 5 6 3 2 7 20 18 29 58 20 6 2 3 2 2 1 1 4 37 12 2 2 0 1 3 2 10 4 3 3 1 2 4 2 3 2 4 3 4 10 3 1 0 2 3 2 1 2 2 2 1 2 4 7 3 3 6 11 19 11 3 4 11 32 9 7 4 9 11 2 2 23 10 16 25 6 4 5 2 3 3 1 3 5 2 1 1 3 2 1 2 25 6 0 2 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 3 1 7 16 19 3 31 61 35 14 5 8 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 78 78 m 1H | 76 75 m 2H | 73 73 m 1H | 72 72 ddd 1H J 14 79 101 | 64 63 d 1H J 159 | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FCc1ccc(Br)cc1
ir: 3 1 2 2 2 2 2 4 12 17 12 6 1 1 1 1 0 0 0 0 0 1 1 1 1 3 4 2 1 1 1 2 2 2 2 2 2 1 0 0 0 1 1 1 4 3 11 29 36 41 31 39 44 52 100 50 23 12 5 3 1 0 1 4 3 4 5 1 9 22 1 0 1 1 0 0 1 0 0 0 0 1 0 0 1 6 2 0 2 1 6 10 34 5 3 1 1 2 2 4 1 0 1 0 1 0 1 0 0 0 0 0 0 0 1 1 0 2 1 3 5 9 13 6 22 9 4 4 2 2 1 1 1 0 0 0 0 0 0 0 0 0 2 3 4 20 42 40 15 2 4 22 29 3 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 1 1 0 1 3 1 2 8 22 36 41 48 12 18 26 3 3 3 5 3 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 m 2H | 73 73 ddt 2H J 8 26 77 | 55 54 t 1H J 8 | 54 53 t 1H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1[C@@H](NC(=O)OCc2ccccc2)c2cc(F)ccc2N[C@H]1C1CC1
ir: 9 15 30 7 0 2 2 3 3 4 6 3 2 1 1 1 1 1 2 2 3 1 1 1 2 2 5 2 3 7 16 4 3 6 2 1 3 1 2 7 39 12 5 3 1 2 2 1 1 2 1 1 1 2 23 3 2 3 1 2 3 3 1 0 1 4 4 7 5 2 1 1 1 3 1 1 1 3 2 1 1 1 1 1 1 1 1 5 3 4 2 1 1 1 1 1 2 7 3 2 2 2 2 8 3 2 2 10 3 1 1 1 1 2 2 2 5 3 2 3 4 3 2 2 2 2 1 2 2 1 1 1 2 2 2 8 3 2 3 11 4 5 14 21 5 3 19 13 12 100 7 12 79 9 3 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 8 3 2 4 8 19 50 14 7 7 2 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 2 3 3 9 41 46 10 4 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 d 4H J 41 | 73 73 ddd 1H J 37 50 83 | 71 70 ddd 1H J 8 21 121 | 69 68 ddd 1H J 22 78 101 | 67 67 dd 1H J 46 77 | 60 59 d 1H J 90 | 51 50 s 2H | 50 49 tdd 1H J 7 26 90 | 40 39 d 1H J 57 | 31 31 dtd 1H J 26 56 71 | 23 22 dp 1H J 72 88 | 16 15 h 1H J 50 | 13 12 m 2H | 10 10 d 3H J 72 | 8 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COCCC(=O)CC#N)cc1
ir: 2 1 2 4 10 3 3 17 11 3 6 2 2 3 1 3 3 10 3 3 2 1 1 1 1 1 0 1 1 1 2 2 2 8 4 4 4 3 1 2 1 0 2 4 3 3 2 3 4 2 3 8 23 10 5 26 41 25 6 5 4 3 6 6 8 6 1 2 4 16 4 8 8 1 1 1 1 2 1 1 1 1 1 1 1 1 5 2 9 5 3 2 2 3 4 4 2 6 3 1 1 1 1 1 1 1 3 1 1 1 2 2 1 4 2 2 5 5 10 7 7 5 9 9 6 8 6 5 24 16 4 2 2 1 1 2 2 2 2 3 8 13 16 3 3 3 4 12 35 18 6 0 12 5 1 2 1 1 1 1 1 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 21 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 2 1 1 1 3 7 7 5 4 2 1 3 4 2 4 33 14 29 100 8 1 5 4 1 1 3 2 1 0 1 1 1 0 1 2 1 0 1 1 0 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 dq 2H J 9 79 | 69 69 m 2H | 45 45 t 2H J 9 | 38 38 s 3H | 38 37 t 2H J 49 | 34 34 s 2H | 27 27 t 2H J 50
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C=O)nc2c1[nH]c(=O)n2-c1cc(S(=O)(=O)N2CCCCc3ccccc32)ccc1Cl
ir: 4 5 5 12 7 26 35 13 20 11 10 7 8 11 9 8 3 6 7 9 18 5 6 12 8 13 5 6 6 8 4 4 3 10 8 9 12 23 10 9 49 26 20 8 20 6 4 4 4 5 3 4 7 12 19 5 4 5 5 7 9 7 7 2 7 7 23 28 9 9 5 6 21 7 4 7 6 7 5 11 53 9 8 17 16 18 29 8 6 5 6 4 4 26 19 10 5 4 5 5 7 5 8 5 12 5 5 4 4 4 4 4 7 9 6 5 4 4 4 6 13 10 20 10 6 5 6 5 11 21 2 4 5 11 42 8 5 8 10 4 12 16 6 13 5 4 5 19 15 8 5 9 4 5 9 14 5 5 7 57 90 0 6 7 4 1 3 5 4 2 3 5 3 2 3 5 3 2 4 5 3 2 3 4 3 2 4 4 3 2 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 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 5 4 5 4 3 4 5 4 4 10 20 14 79 44 10 5 7 5 7 4 3 4 4 4 4 4 4 3 4 4 5 4 3 6 4 5 17 100 9 6 4 4 4 3 3 4 3 3 3 4 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 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 4 3 3 3 4; 1HNMR: 95 95 s 1H | 80 79 d 1H J 20 | 78 78 d 1H J 7 | 76 75 d 1H J 100 | 75 75 dd 1H J 21 100 | 73 72 td 1H J 18 75 | 71 71 ddt 1H J 8 18 82 | 70 69 dd 1H J 14 74 | 69 68 m 1H | 39 39 t 2H J 67 | 28 27 td 2H J 8 88 | 24 24 s 3H | 19 18 p 2H J 69 | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccccc1C1CCC1
ir: 2 3 5 3 5 5 9 12 5 7 5 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 4 3 5 3 3 2 6 22 21 36 11 5 3 3 3 2 3 2 2 3 3 4 3 5 5 2 2 4 3 7 3 5 4 2 3 4 4 3 4 5 7 11 18 7 11 23 37 10 5 12 14 14 14 6 5 4 7 3 4 5 2 3 4 6 2 5 5 8 6 12 6 4 4 2 3 2 1 2 2 2 2 2 3 3 2 5 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 6 6 13 11 5 3 2 2 5 6 11 13 9 11 7 7 4 3 2 3 4 2 2 2 3 4 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 3 3 3 2 2 3 6 4 3 4 3 4 5 2 4 4 5 3 11 17 31 16 12 4 0 3 8 25 51 100 4 4 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2; 1HNMR: 72 72 m 1H | 71 70 pd 2H J 17 76 | 68 67 dd 1H J 19 82 | 54 54 s 1H | 31 30 m 1H | 20 19 m 2H | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(=O)Nc1ccc2c(c1)OCO2
ir: 5 2 5 3 3 2 1 2 3 1 10 6 4 3 2 3 7 0 27 14 2 3 1 3 8 8 6 14 6 1 2 3 3 1 4 31 20 70 100 50 18 15 8 5 7 3 9 2 7 5 2 2 4 13 10 16 12 2 3 14 10 16 13 8 16 38 60 46 18 8 2 3 2 1 2 2 2 2 3 2 2 4 24 13 3 2 2 2 2 5 12 7 5 4 3 3 4 5 2 2 2 9 15 3 3 7 20 4 1 2 2 2 1 2 2 2 4 18 5 10 16 9 5 4 4 3 16 6 6 7 5 5 4 2 2 2 2 1 1 2 3 2 1 5 8 33 71 24 7 3 20 34 3 9 9 4 2 3 2 1 2 2 18 6 2 3 2 0 1 2 1 0 1 2 1 1 2 3 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 1 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 2 2 2 3 7 9 14 9 27 45 22 4 6 5 3 2 2 2 3 2 2 2 2 2 2 2 2 2 4 5 9 7 16 73 59 14 9 4 2 2 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 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 1 1 1 1 1 1 1 2 1 1; 1HNMR: 78 77 s 1H | 72 72 dd 1H J 22 90 | 71 71 d 1H J 21 | 69 68 d 1H J 89 | 60 59 s 2H | 12 12 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(/C=C/C2=CCNCC2)cc1
ir: 1 0 1 1 0 1 1 1 0 2 2 1 3 3 4 3 3 7 4 1 0 0 0 0 0 0 0 0 0 1 1 1 8 1 0 0 0 1 2 21 18 1 1 1 1 1 11 2 1 3 4 9 15 28 41 72 100 21 8 10 4 2 5 7 6 5 15 8 6 21 4 7 5 5 16 46 36 12 1 1 1 1 1 1 1 3 3 1 1 2 2 7 1 3 2 2 1 1 7 8 4 20 6 3 2 2 4 10 15 28 47 9 8 7 71 37 17 13 4 2 2 2 1 7 8 2 2 5 21 14 6 3 10 2 1 2 3 1 1 1 2 2 1 1 1 8 16 7 5 42 3 9 7 47 8 2 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 0 1 4 2 2 2 2 2 3 4 17 38 37 56 42 16 11 2 2 3 2 1 1 2 2 1 0 1 2 2 2 5 2 23 39 3 3 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; 1HNMR: 76 75 m 2H | 71 70 m 1H | 71 70 m 2H | 65 65 dq 1H J 10 151 | 60 59 dp 1H J 11 32 | 33 32 ddq 2H J 10 29 47 | 30 30 m 2H | 26 26 ddq 2H J 9 29 52 | 25 25 p 1H J 45
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc2c(c1)C(=O)CC2
ir: 5 10 10 5 8 11 6 10 3 40 23 21 10 7 7 6 13 16 20 8 6 11 10 6 5 8 8 3 3 4 5 3 5 9 6 2 3 4 4 2 3 5 3 2 3 5 5 4 4 9 8 12 12 100 53 32 5 11 11 26 25 17 10 23 13 16 11 16 30 31 6 9 15 12 10 2 8 14 8 3 7 6 2 2 7 12 6 27 33 20 12 20 14 11 9 22 16 20 5 6 6 5 2 4 8 13 3 4 8 5 2 6 15 13 13 8 12 8 13 14 17 14 10 14 8 14 7 13 12 5 4 8 9 6 3 6 21 70 28 11 7 2 2 5 5 5 10 93 62 25 9 50 26 7 6 6 4 1 3 4 3 2 11 10 7 3 4 6 4 0 3 5 2 0 3 5 3 1 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 2 0 2 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 4 3 3 6 12 6 6 10 7 1 5 6 7 19 33 60 60 76 91 31 11 2 4 8 5 2 4 5 2 2 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 73 72 d 1H J 22 | 71 71 dt 1H J 8 81 | 68 67 dd 1H J 22 81 | 31 30 td 2H J 9 64 | 29 29 s 5H | 28 27 dd 2H J 57 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(CN(C(=O)C2CCc3ccc(OC)cc32)c2ccc(C(C)C)cc2)cn1
ir: 1 2 1 5 3 4 5 3 1 4 8 15 5 4 2 3 4 3 2 2 3 1 1 1 1 1 2 5 2 2 2 2 4 4 4 3 2 2 6 6 7 1 1 1 1 1 1 1 1 1 2 2 5 18 28 24 8 7 1 3 10 8 7 4 2 5 8 19 11 8 3 5 4 1 1 1 2 1 2 2 1 3 1 1 1 3 2 4 3 7 23 11 7 7 5 2 8 6 4 2 1 1 2 3 3 3 4 2 0 1 3 5 1 3 4 6 2 2 3 3 3 3 2 3 6 16 11 5 3 5 7 3 4 8 9 2 2 1 3 2 6 13 5 2 2 6 25 17 11 100 31 7 22 10 2 3 1 1 1 1 1 4 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 1 2 3 3 7 8 5 8 17 15 31 47 19 10 16 22 16 3 4 2 2 1 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; 1HNMR: 75 74 q 1H J 7 | 74 74 m 2H | 71 71 m 4H | 69 68 dd 1H J 7 21 | 67 67 dd 1H J 22 86 | 51 51 dt 1H J 9 135 | 51 50 dt 1H J 8 135 | 39 38 qd 2H J 9 50 | 38 38 s 2H | 36 36 m 1H | 32 31 dddd 1H J 8 60 77 147 | 30 29 dddd 1H J 8 60 79 147 | 29 28 m 1H | 24 23 ddt 1H J 58 79 137 | 22 21 ddt 1H J 59 79 134 | 14 13 t 3H J 50 | 13 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCn2c1cc(Cl)nc2=O
ir: 12 8 4 9 15 22 4 11 13 10 0 27 10 7 5 11 11 6 4 9 10 6 5 9 11 6 5 10 9 5 5 9 9 5 6 10 9 5 6 10 13 7 13 100 10 5 7 11 9 6 8 11 8 4 7 11 7 3 8 11 7 4 10 11 8 4 8 13 7 4 8 10 11 32 17 12 6 5 9 10 5 5 10 16 6 5 9 9 5 5 10 10 5 6 10 9 5 6 10 9 7 8 14 9 4 7 11 9 4 13 23 32 27 9 12 7 4 11 16 9 5 8 12 7 4 9 12 8 5 11 12 11 9 11 10 8 6 17 10 5 5 9 9 6 5 9 9 5 6 10 9 8 9 19 70 12 6 10 8 4 9 20 10 7 7 11 7 4 7 11 7 4 7 11 7 4 8 10 7 4 8 10 6 4 8 10 6 5 8 10 6 5 8 9 6 5 9 9 5 5 9 9 5 6 9 9 5 6 9 8 5 6 10 8 5 6 10 8 4 7 10 8 4 7 10 7 4 7 10 7 4 7 10 7 4 7 10 7 5 8 10 6 5 8 9 6 5 8 9 6 5 8 9 6 5 9 9 6 6 9 9 5 6 9 8 5 6 9 8 5 7 10 8 5 6 11 8 5 7 10 8 5 8 14 28 5 7 12 10 8 16 11 7 5 8 10 7 5 8 9 6 5 8 9 6 5 8 9 6 6 8 9 6 6 9 9 6 6 9 8 5 6 9 8 5 6 9 8 5 6 9 8 5 7 10 7 5 7 10 7 5 7 10 7 5 7 10 7 5 7 9 7 5 8 9 7 5 8 9 6 5 8 9 6 6 8 9 6 6 8 8 6 6 9 8 6 6 9 8 6 6 9 8 5 6 9 8 5 7 9 8 5 7 9 7 5 7 9 7 5; 1HNMR: 60 60 s 1H | 41 41 m 2H | 40 40 m 2H | 15 15 s 8H
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](C(F)F)N(C(=O)OCc2ccccc2)C1
ir: 6 12 21 25 11 32 44 62 34 10 15 28 19 19 5 10 8 12 9 10 8 11 26 18 9 9 11 9 9 22 42 14 5 7 8 1 8 9 24 59 55 18 9 12 5 9 15 43 4 12 11 3 8 8 5 1 6 10 10 2 5 19 22 13 17 12 5 2 12 22 17 11 27 31 12 12 16 22 11 5 9 12 4 2 6 6 1 3 18 38 11 7 12 7 2 10 20 48 11 13 10 16 5 7 13 16 5 10 18 24 8 12 26 39 27 63 100 62 33 32 27 45 19 20 15 18 27 17 11 20 8 16 19 20 38 24 41 36 5 13 9 15 37 96 93 38 30 18 9 16 71 80 16 2 2 5 4 1 2 5 4 1 3 5 3 0 3 6 3 0 3 6 3 0 3 5 2 0 3 5 2 0 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 1 2 4 5 2 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 5 2 2 5 4 2 2 4 4 2 2 5 5 2 3 6 5 3 3 14 17 6 10 13 16 19 13 28 22 16 64 24 23 64 43 26 8 8 5 7 3 2 4 5 3 2 3 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5; 1HNMR: 74 73 m 5H | 60 59 d 1H J 42 | 51 51 s 2H | 41 40 m 2H | 38 38 dd 1H J 66 117 | 36 35 s 2H | 27 27 tdd 1H J 38 51 67 | 21 20 m 2H | 19 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC1CCN(Cc2ccc(CCn3ccc(OCc4ccc(F)cc4)cc3=O)cc2)CC1
ir: 8 5 6 5 1 4 8 6 10 5 4 3 4 11 9 3 3 4 5 11 4 5 4 3 2 3 4 3 4 17 21 11 35 13 9 4 5 5 3 11 3 15 5 3 3 5 6 5 4 8 6 5 13 9 8 3 10 12 9 5 4 6 4 1 2 7 15 30 18 23 13 2 4 4 4 3 5 4 2 3 3 7 16 9 13 12 4 3 5 3 2 2 4 4 19 29 15 9 7 5 13 4 3 5 4 3 2 4 7 5 2 3 5 7 7 8 8 5 4 8 6 6 5 7 2 16 4 6 9 8 2 3 8 6 3 4 4 3 2 5 9 9 2 7 14 100 36 55 15 17 4 4 5 3 7 14 7 4 3 3 3 4 6 16 3 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 2 2 3 4 2 3 3 4 5 4 5 3 2 3 4 4 11 10 11 52 31 21 37 56 9 5 7 2 2 3 3 2 2 3 3 2 2 3 4 3 3 7 12 15 11 18 9 3 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 76 75 dt 1H J 9 82 | 75 74 ddt 2H J 9 35 80 | 72 72 dt 2H J 8 84 | 72 71 m 4H | 64 63 d 1H J 78 | 61 61 dd 1H J 14 81 | 54 54 d 1H J 13 | 51 51 t 2H J 9 | 40 40 td 2H J 9 62 | 37 36 m 2H | 36 36 s 1H | 30 29 tt 2H J 9 64 | 28 28 ddd 2H J 56 82 126 | 25 24 ddd 2H J 55 83 128 | 20 19 m 4H | 17 16 dddd 2H J 43 56 84 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc(NC2=CC(=O)CC2)cc1
ir: 7 9 10 13 30 10 11 15 9 9 20 12 20 25 13 20 9 42 34 21 17 19 9 4 5 6 5 7 4 24 11 18 9 0 11 8 25 11 73 56 48 48 7 2 4 3 3 5 6 4 5 5 3 3 7 23 17 31 13 7 2 3 2 5 3 2 3 3 2 3 5 5 6 6 12 13 19 18 11 7 6 21 6 3 2 2 4 8 21 21 7 4 3 2 3 3 2 4 4 2 2 4 3 3 4 35 8 4 0 13 11 17 5 7 5 4 7 9 13 6 6 5 6 5 8 9 7 4 4 4 4 2 1 4 4 5 5 7 14 5 2 6 16 100 19 7 3 3 2 3 3 16 30 20 15 9 9 47 29 45 47 5 4 1 78 3 2 3 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 6 6 3 3 3 3 2 6 4 7 17 50 35 30 8 5 4 3 2 4 4 2 2 3 3 3 4 3 8 14 7 13 6 11 27 37 69 39 91 30 13 6 99 77 8 5 3 5 3 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 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 78 77 m 3H | 72 71 m 2H | 66 65 s 2H | 58 58 p 1H J 9 | 28 28 ddd 2H J 9 55 62 | 25 25 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)n(C)n1
ir: 5 6 8 8 7 22 10 12 22 12 8 7 12 8 7 7 8 10 10 7 7 11 9 8 6 6 8 6 7 10 10 8 6 13 19 13 26 10 14 30 11 31 41 59 27 17 30 38 77 22 14 5 8 14 48 68 10 0 7 8 6 4 6 8 11 6 10 18 19 14 8 18 48 36 22 10 7 5 8 13 7 6 7 9 7 6 6 7 8 5 5 6 5 6 6 7 26 6 7 14 5 6 14 14 10 11 5 13 11 15 6 7 8 11 8 6 5 8 6 7 6 7 9 12 7 7 8 6 7 7 38 19 29 10 9 33 14 9 7 9 18 14 14 33 24 25 11 17 12 44 49 74 25 12 43 16 9 38 9 8 100 24 12 11 5 6 6 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 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 6 5 5 5 6 5 5 6 5 7 6 8 9 7 24 33 26 32 37 23 13 13 8 7 7 6 6 7 6 5 5 6 6 7 6 12 14 17 11 9 29 59 19 14 7 7 7 6 7 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5; 1HNMR: 98 98 s 1H | 90 90 s 1H | 86 86 dd 1H J 16 41 | 81 81 d 1H J 22 | 80 80 m 2H | 80 79 d 1H J 87 | 78 76 m 3H | 75 75 d 1H J 81 | 72 72 ddd 1H J 18 40 68 | 59 59 s 1H | 37 36 s 3H | 17 17 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1ccc(C#N)c(OC)c1
ir: 0 3 6 2 1 6 9 4 1 5 7 3 2 3 6 2 1 6 7 8 6 8 11 10 4 21 11 3 4 4 4 1 4 7 16 6 7 8 8 10 10 17 9 7 3 5 4 0 3 5 4 1 10 21 11 13 23 11 5 3 6 8 3 2 5 15 10 26 41 16 17 8 49 25 17 5 5 6 3 4 7 7 3 4 14 7 2 2 6 7 9 6 7 4 1 17 16 9 3 2 3 3 2 4 5 3 1 2 4 2 0 2 7 4 4 9 9 11 13 12 9 5 9 5 16 8 2 6 6 5 3 4 4 3 6 7 16 17 8 10 16 42 19 4 5 1 2 5 7 10 16 7 14 9 8 6 3 2 4 6 7 4 6 6 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 2 8 6 2 1 3 4 1 1 3 4 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 1 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 2 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 4 2 6 11 7 15 26 42 16 11 17 43 76 100 66 21 11 12 11 11 23 8 5 4 3 2 3 3 2 2 3 3 2 2 3 3 1 1 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 1 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; 1HNMR: 76 75 d 1H J 83 | 71 71 ddt 1H J 9 16 82 | 68 68 dt 1H J 8 17 | 60 59 ddt 1H J 74 97 172 | 52 51 m 1H | 51 50 m 1H | 39 38 s 3H | 33 33 dtt 2H J 8 15 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341
ir: 8 7 4 6 2 3 9 3 6 3 3 11 6 8 6 7 13 2 7 33 9 11 3 21 9 30 4 4 40 20 3 2 3 11 51 38 7 3 5 7 5 38 11 3 4 2 2 3 3 4 14 5 5 21 5 26 7 16 4 4 11 2 4 4 10 8 7 5 21 40 11 6 4 5 23 9 22 5 5 38 42 9 2 3 2 2 5 2 9 10 25 5 12 7 4 12 13 15 22 22 61 37 17 6 3 3 7 2 1 7 3 3 3 8 5 7 2 5 6 9 17 13 22 78 13 9 23 12 12 4 1 3 11 7 35 3 4 2 10 22 21 2 17 26 100 29 6 0 3 3 2 0 2 7 3 1 7 4 2 23 2 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 3 2 4 7 3 3 3 5 7 2 7 11 22 8 12 22 53 15 57 46 7 8 16 5 2 4 2 1 2 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; 1HNMR: 67 66 d 1H J 81 | 66 66 dt 1H J 9 80 | 57 57 ddt 1H J 18 64 101 | 57 56 dddd 1H J 9 18 42 62 | 56 55 ddt 1H J 18 70 104 | 49 48 dt 1H J 21 42 | 39 38 s 2H | 34 33 m 1H | 31 30 ddd 1H J 8 73 132 | 29 28 ddd 1H J 8 46 134 | 28 27 dddq 1H J 10 19 35 70 | 27 26 ddd 1H J 32 60 121 | 25 24 m 4H | 23 22 ddd 1H J 33 60 124 | 21 21 s 2H | 20 20 ddd 1H J 32 59 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=S)C12CC3CC(CC(C3)C1)C2
ir: 1 1 0 1 1 1 2 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 0 1 4 5 23 83 39 68 10 2 2 1 1 1 1 0 0 1 1 1 0 1 3 2 1 1 1 1 1 1 3 15 11 17 19 4 1 2 6 6 24 20 19 35 22 6 2 1 1 1 1 2 1 0 0 1 2 16 5 11 6 2 47 18 2 3 1 0 0 2 1 0 1 1 2 4 3 6 3 4 3 3 5 3 6 4 5 10 8 3 3 1 1 1 1 1 1 1 2 5 2 4 3 3 2 7 16 40 18 100 19 7 4 2 1 0 1 1 0 0 1 2 0 7 47 48 4 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 5 4 1 2 2 2 3 8 15 3 1 0 1 1 2 1 1 1 1 1 0 1 1 2 3 8 74 22 9 4 2 2 7 68 56 53 40 9 2 1 0 0 1 1 0 1 1 1 0 1 2 1 1 2 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 83 83 t 1H J 40 | 41 41 d 2H J 40 | 22 21 hept 3H J 55 | 20 20 d 6H J 53 | 19 18 dt 3H J 57 128 | 16 16 dt 3H J 57 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC)-c1ncc(C#N)c(=O)n1CC2
ir: 0 8 15 7 4 14 12 8 3 8 12 6 6 14 12 23 19 26 22 7 2 8 10 4 4 15 9 5 3 11 9 7 5 10 16 1 6 10 7 5 9 14 10 7 8 9 20 42 45 18 14 3 13 14 6 1 6 13 9 3 7 19 7 4 10 11 9 17 71 61 20 2 10 11 6 3 8 11 9 5 10 8 3 4 8 11 10 48 19 10 2 3 12 11 2 3 12 9 8 7 9 7 0 4 11 8 0 11 33 17 16 8 12 6 1 7 12 7 4 17 23 8 3 9 16 11 4 12 28 31 7 8 12 7 2 8 20 6 6 35 30 7 3 11 17 5 7 60 36 2 3 15 11 10 59 22 9 13 42 17 7 2 5 9 10 0 5 10 5 1 5 10 5 0 6 10 5 1 6 10 4 1 7 6 4 2 6 8 4 2 7 8 3 2 7 8 3 3 7 7 3 3 8 7 2 3 8 7 2 3 8 6 2 4 8 6 2 4 9 6 1 4 9 5 1 5 9 5 1 5 9 5 1 5 9 5 1 6 9 4 2 6 8 4 2 6 8 4 2 7 8 3 2 7 8 3 3 7 7 3 3 8 7 3 4 8 7 2 4 8 7 3 5 8 8 4 6 12 8 2 6 11 7 3 24 13 12 100 28 17 18 14 8 13 7 3 6 8 4 2 7 8 6 3 6 8 4 3 7 7 3 3 7 7 3 3 7 7 3 3 7 6 3 4 7 6 2 4 8 6 2 4 8 6 2 4 8 5 2 5 9 5 1 5 8 5 2 5 8 5 2 6 8 4 2 6 8 4 2 6 7 4 3 6 7 4 3 7 7 3 3 7 7 3 3 7 6 3 4 7 6 3 4 7 6 2 4 8 6 2 4 8 5 2 5 8 5 2 5 8; 1HNMR: 87 87 s 1H | 69 69 s 1H | 68 68 t 1H J 9 | 42 42 m 2H | 39 38 d 6H J 55 | 30 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)C(=O)c1ccc(Cl)cc1
ir: 3 2 4 3 2 3 3 2 2 5 5 3 3 3 2 1 1 2 1 2 5 8 9 3 2 2 1 1 1 2 0 1 1 1 2 5 3 6 16 0 1 5 1 1 2 2 1 8 5 2 1 1 1 3 7 16 16 2 3 1 1 0 0 1 3 0 0 1 1 9 1 2 2 2 5 5 3 0 1 1 0 0 0 0 0 0 4 1 3 0 1 1 1 1 6 1 2 2 3 2 0 0 1 0 1 0 0 1 1 1 2 3 2 5 5 15 17 11 16 6 2 4 5 4 5 11 9 5 8 3 4 2 2 1 1 2 1 1 4 4 19 92 14 19 100 23 14 14 48 13 14 1 1 1 1 1 1 1 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 1 1 0 1 1 1 2 4 4 2 4 12 10 20 62 14 4 3 5 4 7 1 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 75 74 m 2H | 41 41 q 1H J 76 | 37 37 s 2H | 13 13 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c(S(=O)(=O)Cl)c(C)c1C
ir: 7 5 2 5 6 4 2 5 8 15 30 18 9 5 3 7 13 5 18 12 9 4 7 13 16 16 13 9 7 2 4 7 12 5 3 6 7 5 6 6 5 1 4 8 9 3 3 5 4 1 3 5 3 1 3 5 5 7 9 8 3 0 5 20 18 29 11 15 7 12 41 41 16 4 6 8 4 4 6 7 5 5 12 100 70 11 3 5 3 5 5 4 22 26 6 4 3 3 5 4 2 3 5 14 22 6 7 4 3 4 9 5 3 4 6 6 4 8 5 9 15 12 7 4 3 4 7 4 3 6 6 4 4 9 4 3 2 7 8 6 8 8 5 4 3 4 5 3 3 4 11 25 5 6 4 2 4 5 4 4 17 47 8 3 3 6 4 1 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 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 2 3 4 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 4 9 7 4 2 4 5 4 3 4 7 4 6 14 24 30 11 18 31 17 4 4 6 3 2 4 5 3 2 3 4 3 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 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 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; 1HNMR: 69 68 s 1H | 38 38 s 3H | 26 26 s 4H | 25 25 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CNS(C)(=O)=O)cc2)cc1
ir: 0 3 3 20 4 1 1 1 1 1 2 1 4 1 2 2 1 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 2 3 0 1 5 1 1 2 2 3 2 3 4 4 4 3 4 6 9 13 7 17 11 24 4 8 4 8 2 9 14 2 1 1 1 1 4 12 28 21 17 3 2 2 2 1 1 1 3 4 1 3 2 1 4 25 8 3 1 2 3 2 1 2 7 54 5 2 5 10 19 28 53 23 4 2 2 2 2 1 1 1 1 2 4 3 2 4 3 3 2 10 2 1 4 2 13 3 2 8 2 2 4 2 1 1 1 1 8 1 1 1 1 1 1 7 6 9 5 7 2 1 1 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 4 7 5 8 14 24 16 10 4 1 3 1 1 2 1 0 1 1 1 0 1 1 1 0 2 5 11 100 1 1 2 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 78 77 m 2H | 76 75 m 2H | 75 74 dt 2H J 9 79 | 72 72 q 1H J 16 | 71 71 m 2H | 54 54 t 1H J 75 | 42 42 dt 2H J 9 75 | 38 38 s 3H | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2[nH]c(Cl)nc2n(C2CCCCC2)c(=O)n1C1CCCCC1
ir: 5 2 0 2 1 3 2 2 4 2 2 5 3 4 2 4 3 1 2 3 2 1 1 1 4 3 1 2 1 1 1 2 3 3 4 4 7 14 4 6 3 6 1 3 1 1 1 3 2 3 5 6 10 14 9 5 18 7 5 4 2 1 2 2 1 1 1 3 2 1 3 2 3 6 10 3 6 5 2 3 6 5 5 2 1 2 4 7 2 1 3 2 3 23 5 5 0 5 26 30 6 5 4 3 6 9 12 9 21 23 28 100 62 97 51 29 15 12 30 22 11 8 16 15 9 5 6 6 3 9 8 3 3 3 3 1 1 1 1 1 1 1 1 1 1 4 10 12 3 4 15 32 2 2 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 3 2 4 3 3 6 8 16 17 14 19 20 13 12 14 11 73 45 13 4 8 1 2 4 5 2 1 1 2 2 5 27 36 20 6 2 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 46 44 dp 2H J 66 353 | 22 20 m 4H | 19 18 dddd 2H J 48 67 80 126 | 18 16 m 6H | 16 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1ccc(-n2nc(CO)nc2Cc2ccccc2)c(F)c1
ir: 26 11 19 8 0 5 6 4 2 3 2 2 3 14 8 3 3 4 4 1 8 3 3 2 3 2 1 3 2 4 8 4 4 8 2 1 3 5 5 2 7 4 3 1 3 2 2 1 1 1 2 2 3 3 15 2 2 1 2 1 1 2 1 5 14 2 3 13 11 4 3 1 3 3 3 2 6 8 7 91 18 29 24 44 43 100 37 50 94 32 7 5 8 9 3 3 5 4 4 3 6 4 1 3 3 2 2 1 3 1 3 3 7 3 8 7 21 45 18 12 18 8 0 16 5 3 2 2 2 1 1 2 2 1 3 12 4 1 1 3 11 3 3 7 15 3 1 3 4 5 1 3 3 2 1 1 1 0 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 2 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 3 2 2 1 3 2 2 1 4 15 5 31 16 4 3 3 1 2 5 7 3 3 1 0 2 2 2 1 4 13 60 46 11 7 2 79 59 2 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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; 1HNMR: 80 79 dd 1H J 21 86 | 79 78 dd 1H J 47 86 | 78 78 dd 1H J 22 121 | 73 72 m 2H | 72 72 m 3H | 62 62 s 2H | 47 47 d 2H J 51 | 42 42 d 2H J 9 | 35 35 t 1H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(N)=O)c(N)cc1OCc1ccccc1
ir: 1 2 1 2 3 3 2 4 2 2 3 5 12 9 10 8 10 10 9 4 8 14 18 8 6 7 4 7 4 3 8 5 3 4 10 4 3 4 5 8 10 11 38 22 8 5 4 3 2 2 2 3 2 2 2 1 2 2 2 2 2 2 3 3 3 3 7 21 10 12 7 7 4 4 2 3 2 2 3 3 2 2 9 7 9 5 2 1 3 5 1 2 2 2 2 2 1 2 5 2 2 5 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 5 2 2 3 2 2 2 2 2 3 2 4 1 1 1 1 2 2 4 3 1 1 1 2 2 4 6 5 38 11 0 1 5 2 1 2 4 7 8 20 42 36 8 5 1 2 4 14 10 3 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 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 2 1 2 2 2 2 2 3 5 5 17 5 3 2 1 1 1 2 1 1 1 1 2 2 2 3 5 7 42 9 2 2 3 2 1 1 2 2 3 15 48 100 34 6 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 74 74 dq 2H J 10 74 | 74 73 m 2H | 73 73 m 1H | 72 72 s 1H | 67 66 s 2H | 66 66 s 2H | 62 62 s 1H | 51 51 d 2H J 9 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(CCO)c1cccc(Nc2nc(-c3cccs3)nc3cn[nH]c23)c1
ir: 8 6 20 9 27 12 5 5 3 5 12 8 6 11 3 3 4 5 8 13 2 3 10 11 8 3 2 3 3 14 16 23 14 2 9 13 36 24 20 11 12 11 21 9 5 6 18 20 7 3 1 2 2 1 1 3 4 4 2 1 3 1 1 5 7 6 18 8 3 4 7 15 1 2 2 2 2 4 3 7 4 3 6 6 23 62 20 42 11 10 9 10 6 7 3 4 4 2 2 6 15 26 7 11 5 22 29 3 4 3 7 25 6 3 1 3 5 5 3 5 2 2 1 5 7 5 2 21 6 3 3 3 3 4 1 4 6 4 12 16 17 6 4 3 52 2 1 3 20 100 3 1 0 4 3 15 41 11 2 4 17 1 5 14 8 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 2 1 3 2 2 4 2 2 4 4 1 2 2 2 4 14 13 10 9 23 5 4 1 2 6 11 14 8 3 2 4 1 2 0 1 1 1 0 3 6 4 4 21 39 29 34 15 2 1 2 1 1 1 1 2 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 84 83 s 1H | 78 78 dd 1H J 16 79 | 78 77 dd 1H J 16 49 | 77 76 ddd 1H J 13 22 82 | 75 74 m 2H | 74 73 ddd 1H J 12 21 77 | 72 72 dd 1H J 50 80 | 40 39 m 2H | 40 39 s 2H | 34 33 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCCOc1cc(O)ccc1C(=O)OC
ir: 1 3 8 9 3 2 5 2 4 7 1 3 2 2 2 2 1 4 5 1 2 2 1 2 4 2 1 1 0 0 1 0 0 1 4 2 5 1 1 1 0 1 1 1 1 1 0 0 0 0 0 1 1 3 21 3 1 2 3 0 1 1 1 1 3 3 10 25 2 2 3 3 2 1 1 2 5 14 9 4 14 88 14 13 6 1 2 2 1 3 1 1 0 1 0 1 1 1 2 4 1 0 1 0 0 0 0 1 2 2 2 4 11 8 5 1 2 2 7 3 2 1 2 1 1 1 4 1 1 0 0 0 0 1 1 0 0 0 1 1 1 2 4 40 5 5 4 2 0 1 0 1 15 17 6 3 1 0 0 1 1 1 5 19 2 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 1 1 0 1 1 2 1 2 2 3 1 1 2 2 1 1 1 1 1 1 1 3 4 3 11 25 17 3 1 1 2 2 4 61 100 11 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 76 75 d 1H J 91 | 66 66 dd 1H J 24 90 | 64 64 d 1H J 23 | 41 40 t 2H J 59 | 39 39 s 3H | 35 35 t 2H J 59 | 33 33 s 3H | 19 18 ttd 2H J 10 58 77 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(c1ccc(OC)nc1)c1cccc(Br)c1
ir: 9 7 6 32 22 6 5 5 5 5 5 5 5 5 5 5 6 5 5 8 7 11 10 8 22 15 6 13 16 7 7 24 28 10 24 51 25 14 13 10 7 5 6 8 8 6 55 72 11 16 15 9 10 18 41 23 9 6 11 7 6 6 6 33 11 45 65 41 25 94 53 15 28 18 19 8 8 12 9 6 7 6 5 7 7 6 6 5 5 10 10 12 9 9 6 6 6 8 12 12 5 5 5 5 5 5 5 5 4 7 29 10 7 7 7 6 6 8 9 43 65 22 9 7 4 7 8 6 10 18 10 6 4 9 8 2 0 99 56 31 15 12 6 6 6 6 9 6 25 57 8 13 36 42 14 10 13 10 7 6 11 74 37 9 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 37 23 7 14 14 11 30 100 53 27 16 13 23 12 13 8 7 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 80 80 d 1H J 19 | 76 75 t 1H J 22 | 75 75 m 2H | 73 73 ddd 1H J 13 20 64 | 73 72 dd 1H J 64 81 | 69 68 d 1H J 86 | 57 57 d 1H J 27 | 57 56 d 1H J 29 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(N)CCN(C(=O)C(=O)NCC2OC3OC(C)(C)OC3C2O)CC1
ir: 5 4 8 4 5 3 2 2 1 3 1 2 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 4 1 1 3 4 5 8 2 2 1 2 1 0 1 1 2 1 2 2 1 0 0 1 1 2 3 1 1 3 1 1 4 18 3 2 3 1 6 1 5 5 1 0 1 2 3 2 3 2 2 1 0 1 1 1 1 1 2 2 5 12 4 3 2 4 2 1 1 1 1 2 3 2 1 1 3 4 1 1 1 1 1 1 1 2 0 3 2 2 2 2 5 2 5 5 1 3 1 1 1 6 5 7 7 7 5 8 6 2 1 2 2 2 7 1 0 1 3 4 2 11 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 1 1 2 2 0 2 3 3 1 1 1 1 0 1 1 0 0 14 20 6 1 1 1 5 22 7 2 1 0 2 3 0 100 28 2 6 10 1 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 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; 1HNMR: 77 77 t 1H J 74 | 54 54 d 1H J 38 | 45 44 dd 1H J 40 49 | 43 42 dt 1H J 29 48 | 41 40 td 1H J 41 48 | 37 36 m 3H | 34 33 m 4H | 19 18 ddd 2H J 35 62 137 | 18 18 s 2H | 16 16 ddd 2H J 35 62 137 | 15 14 s 2H | 14 14 s 2H | 11 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)c1c(n2C)CC/C(=C\c2nc[nH]c2C)C1=O
ir: 2 3 1 3 1 1 1 1 2 1 1 1 1 1 1 4 1 1 2 3 3 2 0 1 1 1 1 2 1 1 2 2 1 3 1 3 5 11 3 4 3 52 21 1 4 4 2 1 1 2 1 1 9 100 11 7 1 1 7 3 4 7 2 7 10 3 22 15 7 4 3 3 2 4 6 8 16 6 7 0 1 2 6 3 4 2 5 5 12 28 4 7 46 6 1 1 1 4 9 3 2 14 24 23 3 7 9 5 5 6 11 5 3 6 7 13 8 12 26 16 30 8 6 4 2 4 15 9 16 7 9 2 2 1 3 3 2 1 1 1 1 4 4 1 1 7 7 2 1 1 1 1 7 6 5 4 2 1 1 0 1 4 2 1 0 0 1 1 0 20 20 1 0 1 18 4 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 2 8 7 2 3 3 4 2 3 6 4 6 6 2 17 22 31 27 33 41 22 24 24 2 3 0 2 1 2 1 26 20 5 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 d 1H J 59 | 75 75 d 1H J 78 | 75 74 t 1H J 9 | 74 74 d 1H J 27 | 65 65 dd 1H J 27 79 | 39 38 s 3H | 37 37 s 3H | 32 32 m 2H | 29 28 ddd 2H J 9 49 67 | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CC(=O)OC1CCCC1
ir: 8 9 10 7 4 6 11 9 18 11 14 14 11 12 33 21 21 18 1 6 3 1 0 2 2 1 1 1 2 2 1 3 1 1 1 1 2 1 1 2 3 3 7 3 3 6 5 4 4 6 4 8 5 2 5 7 3 1 7 3 8 10 6 5 4 3 6 12 13 22 10 11 12 7 9 6 7 1 2 1 1 1 1 1 1 1 1 2 2 4 3 4 7 3 8 15 5 5 13 7 4 7 7 5 3 6 9 10 34 27 16 11 15 4 15 7 8 5 11 4 17 25 12 23 5 23 30 33 29 36 16 4 8 3 5 5 2 10 8 8 34 58 100 68 40 69 23 13 5 3 2 3 2 0 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 3 2 7 3 2 4 12 8 8 19 16 17 14 7 16 17 30 20 24 13 6 3 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 50 49 ddt 1H J 26 50 79 | 35 35 s 2H | 23 22 s 3H | 20 19 m 2H | 19 17 m 2H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)c1c(C)c(F)c2ccccc2c1OS(=O)(=O)C(F)(F)F
ir: 13 4 9 6 8 11 14 28 22 20 11 50 10 9 2 3 5 2 1 3 2 2 4 9 4 9 8 11 14 79 4 6 4 1 4 11 3 7 4 8 6 4 21 34 33 8 3 9 13 7 4 6 3 3 5 6 3 0 3 4 3 0 2 5 3 2 2 5 13 42 19 29 10 7 10 8 12 9 10 5 4 3 3 7 4 100 37 13 4 5 2 2 2 4 5 3 0 15 9 3 1 2 3 8 3 8 8 3 1 2 3 2 2 3 4 5 2 3 4 8 6 3 3 3 2 6 6 7 13 6 7 11 5 6 6 2 58 29 8 7 10 3 2 5 11 2 3 4 4 19 16 3 2 2 2 3 1 2 2 1 1 2 1 1 1 2 3 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 1 3 2 2 2 2 3 1 2 3 2 4 5 6 10 8 11 67 11 6 4 6 2 4 3 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 83 82 dd 1H J 13 79 | 80 80 ddd 1H J 15 42 90 | 76 75 td 1H J 12 77 | 74 74 ddd 1H J 12 77 88 | 44 43 q 2H J 71 | 26 26 d 3H J 48 | 14 14 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COc1ccc(S(=O)(=O)Cl)cc1
ir: 2 3 3 3 2 5 6 6 15 6 12 18 9 16 10 8 16 11 19 61 73 74 31 10 14 14 8 2 5 5 5 3 6 21 3 1 2 3 4 1 2 4 4 2 4 3 3 3 5 5 12 2 5 12 29 29 9 3 4 2 3 3 5 37 7 5 2 2 3 8 2 1 2 4 3 4 9 8 20 25 13 8 60 100 17 11 4 5 9 5 1 1 4 4 3 4 8 14 7 8 7 5 1 2 4 2 0 2 3 2 0 2 3 2 0 2 3 3 3 16 17 4 2 8 10 8 1 4 5 2 3 3 3 2 1 2 3 2 2 3 4 7 10 12 19 10 10 40 8 10 4 5 5 1 2 3 3 1 1 3 4 24 2 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 4 2 2 4 8 28 17 9 7 5 3 3 5 6 5 40 67 29 4 3 4 3 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 79 79 m 2H | 71 70 m 2H | 47 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1nc2ccccc2n1Cc1ccc(CN)cc1)C1CCCc2cccnc21
ir: 2 3 3 8 6 1 2 1 3 2 3 5 2 1 3 3 5 2 2 1 1 1 5 1 2 1 3 2 3 2 8 8 2 3 5 1 6 8 6 8 6 3 11 16 3 3 4 2 3 2 8 13 6 7 31 8 3 3 1 4 10 43 42 4 1 5 2 3 8 100 41 24 8 4 3 3 2 3 2 5 3 1 2 6 10 10 5 2 2 2 2 7 3 4 27 4 3 2 2 2 2 5 1 1 1 1 0 2 4 6 5 2 2 2 2 2 7 4 5 9 9 12 10 12 16 8 3 2 8 3 3 11 12 13 17 12 8 7 9 4 1 3 1 2 8 2 58 18 7 4 3 3 2 3 17 3 8 1 1 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 3 2 2 2 2 1 3 4 3 7 21 35 34 42 10 7 2 2 3 1 2 1 3 2 5 3 4 4 22 4 2 1 2 1 16 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; 1HNMR: 85 84 dd 1H J 20 48 | 76 75 m 2H | 75 74 dd 1H J 15 74 | 74 73 td 1H J 13 72 | 72 71 m 6H | 55 55 t 2H J 8 | 41 40 m 3H | 40 39 d 1H J 137 | 39 38 tq 1H J 15 60 | 29 27 m 2H | 25 24 d 3H J 15 | 22 21 m 1H | 21 19 m 1H | 19 18 m 2H | 15 14 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)n1c(Br)cc2cc3c(=O)n(Cc4cccs4)c(C(Br)C(C)C)nc3cc21
ir: 2 2 2 6 5 6 3 7 3 6 2 3 6 5 7 23 4 4 2 4 4 9 3 7 2 1 5 3 5 6 5 10 11 6 5 5 4 1 22 93 12 13 5 3 5 14 28 28 41 7 5 8 4 3 7 3 1 1 1 1 1 2 2 2 2 7 8 14 18 9 4 15 3 2 2 2 3 4 6 1 2 2 2 2 1 5 2 4 10 8 2 2 2 4 1 4 4 14 10 9 4 9 14 4 1 2 3 2 4 2 4 3 2 2 3 8 6 5 7 13 12 17 10 6 8 10 4 3 2 10 32 8 4 6 6 6 3 2 2 2 3 3 1 5 100 5 18 6 2 11 5 8 2 4 4 0 54 29 14 5 1 1 1 1 1 1 17 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 3 2 4 6 6 9 11 8 18 16 7 36 66 58 21 15 5 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 1 1 1 1 1 1 1 1; 1HNMR: 89 89 d 1H J 23 | 83 82 s 1H | 73 73 dd 1H J 18 53 | 71 70 ddt 1H J 9 17 65 | 69 68 dd 1H J 53 66 | 68 68 d 1H J 22 | 53 52 m 2H | 43 43 ddq 1H J 15 29 75 | 27 26 s 2H | 24 23 ddq 1H J 60 75 119 | 11 11 dd 3H J 15 59 | 11 10 dd 3H J 15 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCOc1ccc(NC(=O)CCCCCO)cc1
ir: 1 3 6 4 2 2 3 1 3 5 6 8 3 5 2 2 1 3 5 2 1 1 1 1 1 2 9 2 5 12 5 4 4 10 19 17 13 9 9 4 4 11 5 6 2 5 2 0 5 8 4 5 17 8 18 14 27 31 9 4 5 10 5 8 4 4 2 1 7 5 4 3 4 3 0 1 1 2 1 0 2 3 2 2 5 18 38 38 24 17 9 9 9 12 5 4 6 6 9 8 2 8 2 6 27 5 3 6 5 14 6 5 6 10 5 3 4 4 4 5 4 2 4 3 4 5 2 2 1 3 2 2 1 1 2 4 3 1 2 2 3 5 13 28 16 27 31 5 6 17 41 100 20 9 8 2 3 1 1 1 1 1 3 4 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 5 4 7 3 2 2 2 2 2 5 9 18 11 20 36 11 6 4 4 2 5 6 19 4 2 1 1 2 2 1 1 1 1 1 1 4 11 52 46 17 7 4 2 2 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 87 s 1H | 75 75 m 2H | 69 68 m 2H | 40 40 t 2H J 63 | 37 36 s 2H | 36 35 m 2H | 27 26 t 1H J 59 | 24 23 dt 4H J 84 160 | 18 17 tt 2H J 63 74 | 17 15 m 4H | 15 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nn2)cs1
ir: 2 6 7 3 2 3 3 2 1 2 3 4 3 3 6 4 5 5 2 3 1 2 2 2 2 3 3 7 3 3 2 2 1 4 7 5 2 11 3 0 3 39 62 40 19 0 9 7 9 5 4 16 10 10 20 20 9 5 3 3 2 6 8 3 2 2 17 2 3 3 4 4 11 21 9 4 2 4 3 2 2 2 5 17 14 7 4 2 5 3 1 2 4 3 10 3 10 12 37 54 21 15 14 4 2 5 4 5 3 16 9 8 4 5 5 7 8 8 3 12 17 19 3 8 3 8 11 5 10 5 4 8 5 2 3 2 4 45 6 4 5 11 11 18 10 7 4 4 9 11 18 10 21 13 6 4 3 1 2 3 8 8 4 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 5 5 3 4 4 4 3 7 14 10 11 48 100 43 20 7 3 4 6 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 79 | 77 76 dp 1H J 14 102 | 75 75 s 1H | 73 72 m 2H | 71 70 m 2H | 46 45 p 1H J 43 | 38 38 ddd 2H J 62 88 139 | 37 36 ddd 2H J 62 90 139 | 27 27 s 2H | 24 23 dddd 2H J 43 61 88 130 | 21 20 dddd 2H J 43 62 88 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Sc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)cc1
ir: 9 5 14 5 29 38 49 15 5 4 4 6 15 28 21 43 4 3 6 1 2 8 9 8 5 6 5 8 6 6 5 4 4 9 5 8 27 11 3 4 5 11 12 9 6 8 20 7 14 11 13 10 20 40 47 37 39 13 7 12 7 5 38 15 11 3 15 12 100 21 6 2 3 6 2 2 4 3 4 2 2 4 12 13 12 97 25 15 7 71 13 5 4 3 4 13 42 10 16 45 41 8 6 5 3 2 7 2 6 2 2 3 13 32 3 3 5 6 59 6 6 2 3 3 9 2 1 3 2 2 2 2 2 3 4 5 15 56 4 43 1 4 5 0 8 6 29 6 5 5 7 15 47 5 2 5 2 1 2 3 3 4 2 2 1 1 1 2 2 1 2 2 1 0 2 2 2 1 1 3 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 8 12 23 61 16 15 9 4 13 4 2 2 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 3 6 25 65 40 7 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 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: 89 89 s 1H | 79 78 d 1H J 43 | 73 73 m 2H | 73 72 d 1H J 121 | 69 68 m 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c2c(C#N)cn(C(C)(C)C)c2n1
ir: 2 2 2 2 2 7 3 2 2 3 3 2 2 2 2 5 6 2 2 2 5 3 2 3 3 2 2 8 9 2 2 3 4 2 2 2 2 2 3 13 15 3 2 2 2 2 2 2 2 1 1 1 1 2 2 2 2 1 2 2 3 2 7 3 5 16 10 7 7 3 6 10 7 5 2 3 2 3 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 2 3 2 2 2 2 2 3 2 2 3 2 3 49 16 3 3 1 4 4 5 2 4 4 3 4 5 5 4 2 3 6 13 3 3 3 2 2 8 5 3 2 2 2 2 1 2 2 1 14 7 2 0 41 3 8 26 2 3 12 100 3 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 1 2 1 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 4 4 3 3 2 2 2 2 3 3 3 4 7 10 15 11 8 17 6 8 25 11 5 3 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 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 2 1 1; 1HNMR: 76 76 s 1H | 69 68 m 1H | 25 25 s 4H | 24 24 s 3H | 17 17 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[O-][N+](=Cc1ccccc1-n1ccnc1)Cc1ccccc1
ir: 3 1 1 2 2 1 1 2 3 10 11 13 13 7 3 3 2 1 1 1 1 2 3 4 2 3 2 2 5 13 14 4 4 2 2 3 4 5 19 92 32 23 64 54 7 3 1 4 1 0 1 7 4 4 2 3 1 0 1 2 2 9 1 3 1 0 2 8 6 8 3 2 3 2 4 5 2 5 4 9 10 9 27 16 18 3 6 4 3 23 6 5 5 10 19 12 3 8 13 10 11 4 45 19 7 3 1 1 1 1 2 2 1 5 4 3 9 6 2 5 3 14 5 3 2 1 2 2 3 10 15 4 3 4 5 21 15 4 2 4 6 4 9 18 14 4 2 4 15 23 20 12 6 2 3 7 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 3 5 3 2 4 3 1 3 7 13 24 93 100 49 93 5 4 4 6 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 dt 2H J 16 62 | 79 78 m 2H | 77 76 dd 1H J 17 37 | 75 75 dd 1H J 15 65 | 75 75 m 1H | 75 74 m 2H | 74 74 td 3H J 13 69 | 73 73 m 1H | 53 53 q 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ccc(Cc2nccc3ccccc23)cc1
ir: 1 1 1 2 1 1 2 5 3 5 6 28 10 8 11 25 9 1 1 2 2 2 1 2 5 31 5 4 1 6 8 14 4 2 1 2 2 1 16 8 10 27 6 9 15 8 11 5 14 3 5 9 3 5 18 4 6 13 7 3 3 2 2 1 2 3 4 16 6 23 2 2 3 13 3 4 10 2 3 6 3 1 1 2 6 3 2 4 2 1 2 4 4 9 22 15 11 7 4 4 2 1 1 2 3 6 5 5 3 4 17 3 3 3 7 11 6 4 1 9 6 6 5 4 6 7 9 5 1 3 7 11 18 13 5 6 2 12 2 6 1 2 4 9 31 5 10 8 14 27 16 8 3 6 5 9 17 4 1 3 1 1 1 2 2 0 12 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 2 3 4 4 3 4 4 4 2 5 4 5 8 12 30 52 100 43 22 6 10 2 3 3 1 3 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 85 d 1H J 46 | 80 79 m 1H | 78 78 m 1H | 76 76 m 1H | 76 75 ddd 1H J 13 69 88 | 75 74 ddd 1H J 13 71 85 | 72 72 dt 2H J 9 79 | 69 68 dt 2H J 9 79 | 45 44 t 2H J 9 | 26 25 tt 2H J 9 83 | 16 15 tt 2H J 67 85 | 14 13 hept 2H J 68 | 10 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C(F)(F)c2ccccc2)on1
ir: 0 1 1 1 1 5 13 4 7 6 2 1 1 1 1 1 6 3 1 1 1 1 1 1 1 1 1 1 3 3 5 4 7 2 3 1 1 1 1 0 22 0 3 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 1 3 3 7 10 4 3 4 1 1 1 1 1 3 5 1 1 1 1 1 1 1 3 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 4 29 12 6 14 5 8 2 2 1 1 2 2 3 3 4 4 2 2 2 10 4 4 1 1 1 3 1 1 1 1 1 1 2 5 16 3 1 1 1 1 3 1 2 1 1 1 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 5 3 2 13 100 17 10 21 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 2H | 75 74 m 2H | 74 73 m 1H | 72 72 t 1H J 21 | 44 43 q 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.
CCOC(=O)c1csc(-n2cc(CCC(C)(C)C)c3ccc(Cl)cc32)n1
ir: 22 10 7 3 5 3 3 6 34 6 7 8 1 3 3 3 3 6 4 7 1 1 1 1 1 1 1 2 3 1 23 3 1 3 4 2 2 2 1 0 1 2 2 1 2 2 2 5 3 5 41 9 5 38 39 14 6 7 3 15 13 7 20 30 31 26 26 24 17 30 17 6 19 16 14 7 2 6 5 14 7 3 4 2 9 70 18 4 6 2 8 3 9 7 3 3 3 2 1 5 6 12 4 1 3 6 2 16 11 5 3 5 10 11 8 8 10 21 8 14 11 25 6 9 12 6 7 6 23 6 39 8 4 2 2 3 6 5 2 4 4 17 49 16 3 7 22 5 3 0 1 31 7 21 1 98 9 1 2 2 2 1 8 2 1 0 5 7 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 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 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 2 3 4 4 3 4 4 3 6 4 4 5 5 7 12 12 31 15 53 49 100 36 54 49 36 10 2 2 2 3 3 1 2 2 1 0 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 s 1H | 78 78 d 1H J 21 | 78 77 d 1H J 81 | 74 74 s 1H | 73 72 dd 1H J 22 81 | 44 44 q 2H J 64 | 28 27 td 2H J 9 69 | 15 14 t 2H J 69 | 14 13 t 3H J 64 | 8 8 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C[C@H](Cc1csc2ccccc12)C(=O)N1C(=O)OCC1Cc1ccccc1
ir: 39 31 34 31 28 32 32 28 30 38 30 31 29 29 29 35 37 30 28 28 30 29 28 35 31 28 29 28 29 30 33 34 33 54 32 34 32 29 31 32 40 43 42 100 29 28 29 34 29 31 31 30 29 28 30 29 29 31 43 37 30 32 31 31 28 28 29 32 33 46 28 29 35 28 31 33 32 29 34 29 29 33 29 28 28 36 29 39 29 30 35 29 28 28 29 29 28 30 33 29 29 35 35 30 30 31 32 41 30 30 29 29 28 28 29 29 35 28 37 38 36 31 35 41 35 33 35 35 27 36 32 38 34 34 33 52 39 33 32 86 30 30 39 37 66 55 42 33 28 38 57 7 53 0 26 39 31 22 27 34 29 24 27 31 28 25 28 31 28 25 28 30 28 26 28 30 28 26 28 29 27 27 28 29 28 27 28 29 28 27 28 29 27 27 28 28 27 27 28 28 27 27 28 28 27 27 29 28 27 28 28 28 27 28 28 28 27 28 29 28 27 28 28 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 29 28 27 28 28 28 27 28 28 28 27 28 28 28 28 28 28 28 28 28 28 28 28 28 29 28 29 29 29 29 29 30 31 35 30 31 31 31 33 32 32 29 62 36 49 56 58 38 40 32 28 28 30 29 29 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28 28; 1HNMR: 78 77 ddd 2H J 14 69 155 | 75 73 m 2H | 73 73 m 3H | 73 72 m 1H | 72 71 dq 2H J 10 72 | 45 44 m 2H | 42 41 m 1H | 40 39 p 1H J 79 | 33 32 m 1H | 31 30 ddd 1H J 8 81 146 | 30 29 dd 1H J 77 163 | 29 28 ddd 1H J 9 81 145 | 28 27 m 1H | 27 26 dd 1H J 77 165 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ccc2c(c1)C(=O)N(c1ccc3c(ccn3C)c1)C2
ir: 4 3 5 6 5 2 3 4 3 3 3 4 11 14 1 6 20 6 9 5 6 16 12 3 3 2 2 2 6 22 7 7 21 26 10 5 4 6 4 14 65 20 11 4 8 3 3 1 2 5 3 1 29 60 69 24 6 2 6 9 3 0 3 12 7 10 19 41 10 11 4 7 6 2 3 4 4 11 8 4 1 1 4 8 39 6 4 2 5 6 10 11 4 6 10 25 43 9 10 9 25 14 6 9 12 11 8 15 11 8 6 3 3 3 3 2 2 5 6 5 8 7 8 4 9 6 6 9 3 5 6 73 4 3 4 4 2 12 30 47 7 6 3 1 1 4 9 7 20 61 15 3 27 26 29 68 12 8 6 1 3 4 4 3 7 5 2 1 1 3 1 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 2 3 3 4 4 4 5 4 4 2 2 7 4 11 14 21 13 26 100 49 48 45 33 28 8 5 3 3 1 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 78 77 dt 1H J 9 19 | 77 76 t 1H J 22 | 75 74 d 1H J 73 | 73 73 dd 1H J 22 73 | 73 72 dt 1H J 9 83 | 72 71 m 1H | 70 70 ddt 1H J 9 19 83 | 64 64 dd 1H J 22 50 | 50 50 d 2H J 11 | 37 37 d 3H J 7 | 27 26 tt 2H J 9 84 | 16 15 tt 2H J 67 84 | 14 13 hept 2H J 68 | 10 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1CCN(C(=O)CO)C1)c1c[nH]c2c(-c3c(OCC4CC4)ccc4c3OCO4)ncnc12
ir: 6 4 3 3 2 2 1 3 2 3 1 3 6 2 3 2 4 5 7 6 6 5 12 5 9 5 15 44 24 11 8 10 18 10 23 8 6 19 10 7 4 14 5 7 6 46 19 1 4 4 6 13 4 72 8 0 5 5 4 0 6 6 3 2 4 15 4 3 4 5 2 1 3 5 8 4 3 2 2 2 3 2 3 2 3 6 5 23 9 8 8 10 4 5 8 4 4 3 2 2 6 4 12 11 14 6 2 10 3 4 7 5 7 3 3 2 3 11 8 7 4 2 5 4 4 3 3 5 4 2 6 4 8 3 9 7 3 6 27 5 6 24 8 6 6 25 100 20 16 8 5 10 50 6 40 6 9 8 21 7 69 4 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 2 3 2 1 2 2 1 1 2 1 1 1 2 2 2 2 2 3 3 3 13 6 7 7 7 22 19 13 7 8 13 34 18 72 92 27 20 6 9 3 4 2 3 2 1 3 5 15 13 9 8 34 23 30 10 5 3 3 1 3 3 1 1 2 2 1 2 2 1 1 2 3 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 83 82 d 1H J 93 | 76 75 d 1H J 84 | 70 70 d 1H J 90 | 69 68 d 1H J 90 | 60 60 s 2H | 45 44 ddddd 1H J 17 24 34 42 84 | 41 41 d 2H J 64 | 40 40 d 2H J 44 | 38 37 m 1H | 37 36 ddd 1H J 55 74 128 | 35 34 m 2H | 33 33 t 1H J 64 | 21 21 dddd 1H J 25 57 77 130 | 19 18 dddd 1H J 47 57 73 131 | 14 13 pt 1H J 46 64 | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(C)C(O)O
ir: 13 11 23 22 15 10 15 20 15 10 1 2 5 3 4 6 4 6 9 7 9 11 5 4 4 4 3 4 2 2 2 4 3 1 1 0 3 2 2 1 2 1 2 1 1 1 4 2 4 2 3 2 2 2 2 3 2 2 2 5 7 5 3 8 4 4 4 5 5 3 4 4 3 5 5 9 6 11 16 21 21 51 31 38 42 100 78 20 15 41 27 7 3 3 2 2 2 3 2 2 2 3 1 3 0 1 4 1 9 6 3 3 4 10 15 6 4 4 4 3 3 2 4 4 2 1 1 1 1 0 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 2 2 2 1 1 2 2 2 2 5 3 5 8 9 4 4 3 2 3 3 7 6 11 32 38 9 4 5 2 1 2 1 1 2 2 1 2 0 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 56 56 d 2H J 51 | 48 47 m 1H | 18 17 hept 1H J 71 | 16 14 m 2H | 14 12 dtt 2H J 65 130 307 | 10 10 dd 3H J 15 70 | 9 9 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)C1CCc2nc(-c3ccccc3)cn2C1
ir: 2 1 1 2 4 2 4 3 4 2 1 1 1 1 1 6 1 1 1 2 1 1 1 0 0 0 0 0 1 1 5 2 1 1 0 1 0 2 1 2 1 5 1 1 2 1 0 1 1 1 2 1 1 0 0 1 0 0 0 2 1 1 2 4 3 4 1 0 2 3 1 1 0 0 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 5 0 1 1 1 1 1 0 0 0 0 1 1 1 0 1 1 0 1 1 1 2 2 4 3 2 2 0 1 2 1 2 1 1 1 1 1 3 3 0 1 1 6 17 3 3 7 100 5 7 10 12 2 1 1 1 0 1 3 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 3 2 3 3 8 2 6 15 10 7 11 3 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 75 74 m 2H | 74 73 m 2H | 43 42 ddd 1H J 9 57 137 | 41 40 ddd 1H J 8 56 136 | 36 35 s 2H | 29 28 m 2H | 28 27 ddd 1H J 56 82 152 | 25 24 dddd 1H J 55 71 82 139 | 22 21 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)NCCC(c1ccccc1)c1ccccc1
ir: 2 1 1 3 1 2 2 2 4 3 1 1 2 2 1 4 3 2 6 1 2 2 3 7 9 5 3 10 5 11 23 4 15 5 1 5 2 7 14 24 23 27 21 48 29 7 5 3 3 4 3 3 3 6 3 1 5 1 2 1 1 3 3 1 2 1 4 5 5 2 2 2 2 1 2 1 1 2 2 1 2 1 1 1 1 7 1 1 2 2 1 5 1 1 2 0 2 3 1 1 1 1 0 1 0 1 2 1 4 4 7 9 7 4 4 4 3 5 4 5 6 5 4 6 3 6 4 1 4 3 2 3 2 5 20 15 7 2 0 3 5 6 8 36 100 23 28 7 11 18 8 6 94 4 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 0 0 0 0 0 1 0 1 1 1 1 1 2 3 4 1 2 6 4 3 3 7 21 9 8 21 26 7 1 2 1 2 1 2 1 1 1 1 1 1 1 3 2 1 6 5 3 14 37 44 15 22 19 8 6 2 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 8H J 50 | 72 72 m 2H | 70 69 t 1H J 48 | 68 68 d 1H J 75 | 43 42 dt 1H J 68 77 | 39 38 td 1H J 9 70 | 34 33 t 4H J 65 | 34 33 m 1H | 32 32 dtd 1H J 49 60 137 | 21 20 dt 2H J 59 70 | 17 15 m 11H | 14 14 ddd 1H J 70 82 142 | 9 9 d 3H J 65 | 9 8 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3I)cc21
ir: 22 6 6 12 12 6 6 5 16 6 2 3 7 4 4 5 15 23 2 4 18 21 16 4 6 4 4 6 13 6 8 15 11 6 18 43 22 19 26 23 24 19 13 11 15 9 9 9 8 11 8 11 10 38 60 62 24 7 6 9 3 1 5 8 45 51 44 32 10 2 14 7 4 1 4 5 13 7 6 8 14 9 14 100 4 71 26 8 0 2 20 18 13 9 11 23 13 6 59 62 60 9 7 5 1 2 6 3 1 3 6 9 73 48 35 25 2 12 24 19 15 12 22 8 3 43 34 11 7 8 4 2 1 3 4 1 1 3 4 1 1 20 24 20 100 9 7 1 5 48 15 4 7 8 4 2 2 3 3 1 8 17 3 1 2 3 2 0 2 3 2 0 2 3 2 2 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 3 3 3 1 2 4 3 1 2 2 3 4 4 12 19 8 40 40 59 9 11 7 5 3 3 6 3 1 3 4 2 1 4 5 3 2 5 4 2 5 12 8 3 2 81 57 6 3 2 3 2 1 3 2 1 1 3 2 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 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 1 2 3 2 1; 1HNMR: 92 92 s 1H | 80 80 dq 1H J 9 20 | 80 80 d 1H J 21 | 77 77 dd 1H J 22 84 | 76 76 ddt 1H J 14 35 71 | 75 75 d 1H J 70 | 71 71 d 1H J 85 | 42 42 s 2H | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc(C(=O)Nc2ccn(C)n2)cc2c1CC(CN(C)C)O2
ir: 12 11 11 10 11 11 10 13 12 11 12 12 12 10 12 13 11 11 11 10 11 11 11 10 11 16 13 12 10 13 14 11 11 11 11 10 10 11 11 10 10 11 11 9 14 36 28 15 11 15 18 0 100 2 16 16 12 9 11 12 10 9 22 18 18 11 15 21 18 15 12 11 11 12 15 12 11 14 16 14 13 11 14 11 11 11 17 18 11 16 14 17 16 12 11 15 12 11 11 13 14 12 12 15 31 14 12 12 12 13 12 11 12 11 12 11 10 13 14 13 12 12 11 11 11 12 13 12 12 14 12 11 11 11 11 11 10 11 12 11 11 13 16 15 13 12 13 47 26 36 12 10 13 13 15 27 91 24 13 11 11 11 11 12 10 11 10 10 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 12 11 10 10 10 11 11 11 12 11 14 13 17 21 29 13 24 43 23 15 14 17 15 14 12 10 11 10 11 10 10 10 11 11 13 11 13 13 10 15 21 71 31 33 13 11 11 10 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10; 1HNMR: 95 95 s 1H | 73 73 m 1H | 72 71 d 1H J 22 | 71 70 d 1H J 22 | 62 62 d 1H J 31 | 50 50 tt 1H J 37 49 | 47 46 hept 1H J 55 | 39 38 d 3H J 7 | 33 33 dd 1H J 49 163 | 31 30 m 2H | 30 29 dd 1H J 37 117 | 24 23 s 5H | 14 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC=Cc1ccccc1Oc1ccc(C(=O)c2ccccc2Oc2ccccc2C=CC)cc1
ir: 1 1 1 2 3 2 2 2 3 4 3 3 3 1 1 4 4 2 1 1 1 2 1 2 3 3 2 3 4 5 2 3 3 12 10 15 11 15 21 9 14 25 40 51 25 22 13 10 2 2 4 3 2 0 10 5 15 4 6 4 2 1 1 1 1 1 1 1 2 7 13 3 1 1 2 11 4 1 1 1 1 4 5 5 2 3 1 2 3 6 4 1 1 1 1 1 2 2 2 1 2 4 5 3 9 7 3 2 8 2 3 3 2 2 1 1 3 4 3 3 5 20 5 12 4 6 3 2 1 2 1 2 2 3 3 8 24 33 12 4 4 5 16 3 10 6 4 18 17 20 6 24 5 5 2 7 5 4 3 6 1 3 6 2 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 1 0 1 1 0 1 1 1 0 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 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 1 1 1 1 2 1 1 2 3 2 3 4 5 14 28 43 85 100 18 4 4 2 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 80 dd 1H J 16 77 | 78 78 m 2H | 77 76 td 1H J 16 78 | 75 74 m 5H | 74 73 td 1H J 13 77 | 72 71 td 2H J 11 76 | 71 71 m 2H | 71 70 ddd 2H J 12 79 109 | 68 67 m 1H | 67 66 m 1H | 62 61 dq 1H J 68 145 | 61 60 dq 1H J 66 88 | 19 18 ddd 6H J 16 57 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCNc1nnc(NCCCO)c2cc3ccccc3cc12
ir: 3 4 2 9 9 15 17 3 3 3 4 12 7 8 6 7 6 5 3 4 2 4 3 3 3 3 2 30 36 57 15 5 5 7 4 2 1 3 2 1 1 6 62 5 3 2 1 2 3 2 3 3 2 1 2 1 2 1 1 2 2 1 2 2 1 1 7 8 6 3 2 1 2 2 2 2 6 3 2 2 2 3 2 2 3 3 6 9 32 45 14 6 7 12 7 5 4 5 2 2 2 2 3 3 45 5 1 4 8 5 2 5 2 2 2 3 2 2 1 2 4 8 4 5 3 5 2 2 3 4 2 5 2 4 12 4 4 2 5 9 7 8 12 9 4 32 52 25 18 6 2 2 1 2 2 1 1 0 9 1 1 2 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 2 2 2 2 2 1 4 3 2 2 2 2 2 3 3 6 5 4 5 7 11 2 2 3 6 16 21 100 9 6 4 3 3 2 2 2 3 4 8 6 7 11 36 18 27 63 13 8 5 3 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 1H J 26 | 80 79 m 2H | 75 74 m 4H | 38 38 t 2H J 56 | 36 35 m 8H | 18 18 tt 4H J 55 64
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(COC2CC=C(c3cnc(S(C)(=O)=O)cn3)CC2)CC1
ir: 13 16 12 8 22 16 23 100 33 15 40 22 79 18 9 13 5 7 11 7 12 28 7 4 3 6 5 3 3 6 5 3 3 5 5 6 18 6 7 9 4 7 6 3 7 8 4 3 6 7 4 3 4 6 11 5 14 33 9 4 7 14 12 6 8 12 93 5 20 9 24 40 9 11 7 12 8 7 4 4 5 5 6 42 62 35 65 16 6 4 4 4 6 6 4 9 4 15 9 5 9 7 11 14 43 90 10 21 16 8 9 9 11 12 9 10 21 20 29 34 46 50 18 16 19 13 12 36 13 6 3 17 7 8 27 10 12 13 3 7 7 5 12 8 6 3 3 7 6 0 7 67 8 5 7 6 5 3 4 5 5 3 4 5 4 3 4 5 4 2 4 5 4 3 4 5 4 2 4 5 3 3 4 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 4 4 3 3 5 4 3 3 5 4 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 2 4 5 4 2 4 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 5 5 3 3 4 4 3 3 5 5 3 4 5 6 3 6 11 13 6 6 8 11 5 7 9 7 7 6 17 23 59 62 38 38 14 8 6 4 4 5 5 4 3 4 5 4 3 4 5 4 4 5 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5; 1HNMR: 85 84 s 1H | 84 83 s 1H | 63 62 tdt 1H J 9 18 64 | 40 39 pd 1H J 18 51 | 37 37 ddd 2H J 58 84 122 | 35 34 m 2H | 34 34 s 3H | 34 34 d 2H J 52 | 30 29 m 1H | 29 28 m 1H | 25 24 dddt 1H J 10 51 61 156 | 23 21 m 2H | 20 19 m 3H | 18 17 m 3H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)N
ir: 2 1 2 2 1 2 4 1 3 2 1 2 1 4 2 2 2 2 2 4 2 10 9 2 2 3 4 3 8 1 2 3 5 2 2 5 8 46 3 28 10 21 3 4 2 0 2 18 22 3 2 4 10 2 2 9 10 19 11 8 12 7 11 10 2 6 9 3 9 3 7 5 12 8 4 4 4 9 9 19 11 16 27 11 1 4 1 1 1 1 1 1 2 2 9 2 1 2 4 3 2 3 3 4 5 6 2 3 4 1 4 3 4 1 2 3 2 4 3 5 9 9 2 5 4 4 4 13 8 7 4 8 31 17 52 4 11 6 2 2 13 8 2 2 2 1 21 20 35 17 5 6 5 2 1 1 1 1 5 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 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 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 1 3 2 1 1 1 1 1 1 1 3 2 3 3 3 10 19 7 7 23 42 7 2 0 1 1 1 1 1 2 1 1 5 10 33 2 6 8 3 7 13 100 29 41 29 9 5 3 0 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 72 71 m 2H | 71 70 dd 1H J 74 87 | 51 50 d 2H J 55 | 42 42 h 1H J 53 | 30 30 pd 2H J 7 65 | 14 14 d 3H J 51 | 13 13 dd 12H J 8 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC1Nc2ccc(C(=O)O)cc2CN(CCc2ccccc2)C1=O
ir: 5 2 9 4 11 8 6 3 15 14 2 6 5 13 3 3 6 5 10 11 12 41 41 12 5 2 3 3 3 2 7 3 3 1 9 3 4 3 23 8 22 3 5 2 2 1 1 1 1 0 0 2 1 1 13 5 5 5 2 1 1 1 2 1 1 1 2 3 5 3 2 2 1 1 3 4 5 11 16 5 5 5 1 1 1 2 4 4 9 10 2 1 1 3 2 3 5 3 1 2 2 4 2 1 2 1 1 4 7 22 5 5 4 5 4 4 2 2 2 2 5 4 3 2 2 4 10 3 3 2 2 3 4 5 2 10 2 5 4 13 8 7 10 35 42 4 11 2 8 2 1 1 3 33 6 3 2 1 1 1 0 1 1 1 1 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 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 4 4 0 1 2 2 1 2 3 8 7 10 30 13 5 2 1 1 2 1 3 10 100 17 7 2 1 1 1 1 0 2 2 4 7 11 19 17 10 6 2 2 2 2 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dt 1H J 9 19 | 78 78 dd 1H J 19 87 | 73 73 m 2H | 73 72 m 3H | 69 68 d 1H J 86 | 56 56 d 1H J 92 | 48 47 dt 1H J 75 92 | 46 45 m 2H | 38 37 m 2H | 37 36 s 2H | 29 29 dd 1H J 75 167 | 29 28 m 2H | 27 26 dd 1H J 75 167
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCN1C(=O)C(CO)(c2cnccc2O)c2ccccc21
ir: 1 1 3 3 1 3 14 7 9 21 21 17 10 6 8 6 12 9 7 4 3 3 6 3 1 13 11 6 4 8 4 4 5 6 4 4 5 19 7 11 6 26 12 29 15 10 9 3 1 1 1 1 1 1 2 5 2 4 2 4 2 2 2 1 1 1 4 3 2 2 3 5 4 3 9 3 7 2 1 2 2 1 2 32 7 8 4 5 2 4 27 13 14 13 24 15 26 10 4 6 4 2 17 17 6 3 5 3 6 6 3 3 1 63 6 4 3 3 6 6 2 3 9 14 9 2 2 3 2 2 2 2 5 2 1 1 1 5 5 1 1 3 6 2 4 3 2 0 17 16 20 3 2 2 7 5 1 1 2 8 9 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 1 2 2 4 8 5 4 37 20 5 100 37 13 4 37 53 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 dd 1H J 14 43 | 83 83 d 1H J 14 | 79 79 s 1H | 74 73 m 1H | 73 72 m 2H | 72 72 m 1H | 68 68 d 1H J 44 | 48 47 dd 1H J 64 115 | 45 45 dd 1H J 64 114 | 39 38 m 2H | 34 33 t 1H J 63 | 18 17 m 2H | 14 13 m 5H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12C=C[C@H](O1)C(=O)CC2=O
ir: 3 2 1 2 3 9 3 5 10 15 11 3 4 3 6 3 4 9 100 18 6 4 6 49 66 19 2 16 16 1 3 3 3 1 1 3 3 1 1 3 4 1 2 3 2 1 3 4 3 4 10 28 11 40 9 6 3 0 6 8 7 0 7 4 2 1 3 5 4 1 3 25 5 1 3 6 20 4 4 3 1 1 3 3 1 1 3 3 1 1 4 4 2 5 9 23 5 3 5 11 2 2 3 2 1 2 3 2 8 3 4 4 2 5 6 7 6 8 7 5 15 58 10 5 3 4 3 4 2 3 3 2 1 3 4 2 4 17 26 5 6 36 9 1 4 6 99 54 25 13 5 2 26 5 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 2 3 2 1 2 3 3 2 3 5 4 2 6 9 8 5 3 4 12 18 9 9 76 29 41 17 8 7 4 13 4 2 3 4 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 66 65 dd 1H J 61 103 | 63 62 ddq 1H J 9 19 102 | 49 49 dd 1H J 18 60 | 36 35 d 1H J 170 | 34 33 d 1H J 170 | 15 14 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C2CCC(CCN3CCC(=O)CC3)C1C2
ir: 5 16 12 17 10 7 14 33 20 7 3 11 25 19 5 7 5 3 2 5 5 4 1 4 5 10 8 6 4 2 2 4 5 1 2 4 4 3 3 6 5 2 6 6 4 1 3 8 6 9 3 5 4 0 5 15 6 3 5 7 3 4 6 7 4 7 7 13 21 23 21 17 4 3 5 6 3 4 5 10 32 18 18 17 18 10 13 10 32 12 12 8 5 6 12 13 14 11 8 7 2 10 11 8 15 6 18 18 4 11 22 10 3 9 14 10 4 12 12 5 6 7 20 41 11 16 12 12 10 12 11 6 4 13 7 9 4 7 10 5 5 11 21 100 79 14 10 4 2 8 5 2 3 4 4 2 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 4 4 2 2 4 3 2 4 7 6 6 6 14 16 8 15 16 14 10 13 27 52 35 18 6 6 5 3 4 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 29 28 m 4H | 27 26 m 4H | 26 25 dt 1H J 75 121 | 25 24 dt 1H J 75 121 | 23 22 tdp 1H J 15 46 73 | 21 20 dt 1H J 60 119 | 20 19 dp 1H J 44 71 | 18 15 m 6H | 14 13 m 2H | 10 9 dt 6H J 15 167
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cccc(OC2=CC(=O)N([C@@H](CC(C)C)C(=O)Nc3ccn(C[C@@H](O)CO)n3)C2)c1
ir: 9 24 11 7 2 4 6 7 9 7 6 3 3 1 5 2 1 4 5 2 3 2 5 5 5 3 2 2 2 3 3 6 6 4 4 12 4 2 1 1 2 5 5 1 2 4 4 25 7 4 4 6 9 13 16 16 12 14 16 5 5 11 8 2 5 13 8 3 9 8 4 1 2 2 4 4 5 6 10 14 9 5 4 7 3 5 16 71 39 16 18 43 18 9 4 5 3 3 1 3 3 1 1 1 2 2 2 2 2 5 6 8 8 2 1 3 3 2 2 3 2 2 2 3 6 2 4 4 3 13 9 3 2 2 2 1 1 1 0 2 5 4 1 5 2 2 3 6 7 6 10 9 10 3 4 6 6 8 9 6 12 5 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 2 2 1 2 1 2 2 3 3 1 2 2 5 4 8 17 15 17 11 13 8 3 6 5 15 50 100 28 5 3 1 1 1 1 1 1 1 2 2 2 6 2 8 20 9 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 82 s 1H | 74 74 dt 1H J 9 35 | 72 72 m 1H | 69 69 m 1H | 66 65 ddd 2H J 14 22 60 | 63 62 d 1H J 37 | 52 52 t 1H J 9 | 48 47 t 1H J 75 | 45 45 d 1H J 60 | 45 44 ddd 1H J 8 49 126 | 44 43 t 1H J 53 | 43 42 m 2H | 41 40 m 4H | 39 38 dt 1H J 53 114 | 36 35 dt 1H J 51 112 | 19 19 dt 1H J 75 134 | 17 16 dp 1H J 71 141 | 15 15 dt 1H J 74 134 | 15 14 t 3H J 67 | 9 9 d 3H J 70 | 9 8 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC(Br)C(=O)c1ccc(Cl)cc1
ir: 0 0 0 1 1 2 2 2 3 6 27 4 12 9 8 1 4 3 4 19 13 24 9 7 8 5 2 1 1 1 0 1 1 1 3 2 2 1 0 1 1 1 3 2 1 1 1 1 1 2 3 1 1 1 3 6 4 1 1 0 0 0 0 0 0 0 1 0 1 3 1 1 1 1 2 1 4 14 32 15 5 3 2 3 3 3 3 2 1 1 0 1 1 2 1 2 1 3 1 5 4 2 1 1 1 0 0 1 0 0 1 1 0 1 1 1 2 3 3 7 6 1 1 3 4 8 3 3 1 3 1 1 1 1 1 1 1 1 1 2 6 6 5 21 2 2 2 4 8 6 4 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 1 0 0 0 0 0 0 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 0 0 1 1 1 3 1 1 1 3 2 1 2 4 5 6 33 3 4 2 1 2 1 1 4 9 100 36 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 75 74 m 2H | 57 56 t 1H J 87 | 32 31 dd 1H J 87 175 | 30 29 dd 1H J 86 174
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C1CCC(F)(F)C1
ir: 18 8 9 4 3 3 3 3 3 7 7 7 23 10 9 5 9 10 16 17 3 3 3 2 2 3 4 3 3 3 2 1 2 2 2 2 2 2 11 3 2 4 4 3 2 3 7 5 4 3 2 1 3 3 4 2 3 4 9 6 3 4 3 4 10 12 10 16 6 3 3 2 3 3 3 2 3 2 3 2 3 3 3 2 7 5 6 6 5 7 13 10 4 7 3 3 2 3 3 4 3 4 13 19 9 5 7 15 28 28 45 34 15 22 0 7 13 7 19 12 18 66 57 22 74 66 7 6 7 4 6 5 13 14 2 4 6 2 4 11 49 100 11 5 10 3 3 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 2 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 4 3 2 3 8 7 5 4 6 6 24 11 6 10 12 18 19 12 25 76 25 6 3 4 4 4 3 2 3 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 28 27 ddtdd 1H J 15 28 41 55 94 | 25 23 m 1H | 22 21 m 4H | 21 18 m 3H | 18 17 dtdd 1H J 38 62 80 153
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(=C(c2ccccc2)c2cccc(CO)c2)CC1
ir: 19 10 11 15 39 32 8 12 12 19 59 27 13 12 9 6 7 5 8 3 3 3 3 4 3 4 4 6 10 8 11 13 29 23 25 8 9 9 16 4 45 16 5 5 6 18 27 21 12 10 4 9 3 5 2 1 2 8 3 2 2 9 14 2 3 6 2 15 19 56 17 11 10 1 4 7 3 2 11 5 6 12 20 8 27 67 100 63 82 23 14 7 19 16 5 3 3 6 8 2 3 2 3 5 6 2 3 5 2 4 4 9 12 20 6 15 12 11 45 18 39 8 29 12 26 31 15 20 6 11 13 11 9 6 19 40 46 10 7 6 59 9 7 53 6 8 3 3 3 2 44 19 6 3 3 4 6 2 1 1 2 2 1 1 0 1 1 1 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 3 1 3 6 4 2 6 6 5 10 8 6 8 11 11 17 36 11 39 96 26 31 7 2 6 11 11 41 39 16 5 2 2 1 1 0 1 2 1 0 1 1 1 2 1 2 3 3 4 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 73 72 m 8H | 47 47 dt 2H J 7 57 | 36 36 ddd 2H J 35 59 119 | 34 34 ddd 2H J 35 59 119 | 27 25 qdd 5H J 36 59 137 | 23 22 t 1H J 57 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C(=O)c1sccc1Br
ir: 1 3 6 4 1 4 6 2 2 8 12 4 4 3 5 2 2 3 7 4 5 6 6 2 3 17 21 4 6 10 5 2 2 5 6 16 27 14 8 7 15 25 23 69 21 13 11 5 4 5 11 10 4 5 3 2 3 4 7 4 6 7 7 6 12 7 4 2 4 8 13 2 4 4 8 10 9 4 1 1 3 4 2 4 7 4 5 6 5 3 1 1 4 3 2 2 8 4 1 2 4 4 0 2 4 3 1 2 4 2 1 3 5 3 1 5 7 10 6 14 30 14 12 17 13 3 28 35 9 5 3 3 3 4 4 4 8 46 15 4 5 14 5 5 3 2 3 5 13 5 2 7 7 1 1 4 3 2 2 4 5 30 25 3 2 47 3 5 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 4 2 2 5 3 2 2 5 3 2 3 5 4 10 38 21 12 18 23 19 24 100 49 8 10 5 7 5 2 1 3 4 3 1 3 3 2 1 2 3 2 1 3 3 1 2 3 3 1 1 3 2 2 2 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 80 80 dd 1H J 16 77 | 76 76 d 1H J 51 | 75 74 m 1H | 74 74 d 1H J 51 | 73 73 td 1H J 13 77 | 71 70 dd 1H J 13 83 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCc2ccc(OCCCCOc3ccc(C(=O)CC(C)C)c(O)c3C)cc2O1
ir: 4 1 2 2 7 3 3 4 1 5 4 7 10 5 7 4 8 7 8 10 12 18 22 6 9 7 22 11 9 8 5 5 11 6 3 2 2 3 3 1 4 11 5 4 1 2 10 14 4 0 8 7 10 16 16 4 4 13 3 3 6 3 6 3 3 3 6 7 13 36 10 7 4 3 22 3 20 3 8 4 5 7 3 1 2 4 5 4 3 6 8 7 16 23 7 7 9 5 1 2 2 2 0 8 21 6 6 7 5 14 16 11 8 6 7 5 4 11 0 11 8 4 4 4 4 3 6 3 3 5 4 2 2 3 5 7 3 3 4 2 4 11 15 7 26 29 6 2 5 4 10 5 12 27 39 17 2 2 1 1 1 13 11 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 3 2 5 5 6 2 2 7 5 6 5 14 34 4 13 58 24 12 7 19 100 13 4 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 d 1H J 88 | 70 69 dt 1H J 9 86 | 67 66 m 2H | 64 64 d 1H J 22 | 48 48 t 1H J 57 | 43 41 m 2H | 41 40 dt 4H J 58 182 | 30 29 dddd 1H J 8 60 88 149 | 29 29 s 1H | 29 29 s 1H | 29 28 dddd 1H J 9 61 88 150 | 24 23 ddt 1H J 59 88 139 | 23 21 m 2H | 22 21 s 3H | 20 19 m 2H | 19 18 m 2H | 11 10 t 3H J 63 | 10 10 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cnc(NC(=O)[C@@H](C)c2ccc(N)cc2)s1
ir: 2 11 10 10 6 4 5 2 0 2 2 1 1 1 2 2 4 5 8 2 2 3 2 1 3 3 2 4 4 12 49 7 2 4 4 7 4 6 14 5 22 23 17 5 2 4 3 3 6 2 2 1 4 3 3 24 7 2 2 2 1 2 2 1 1 2 1 1 2 5 1 2 2 2 1 2 3 2 12 5 5 2 1 1 1 4 1 1 7 5 2 3 2 13 2 1 3 2 1 2 6 1 1 5 3 2 13 1 1 1 0 1 3 1 1 2 4 1 2 3 3 2 1 3 2 1 1 1 2 1 2 2 2 0 0 8 2 1 0 1 2 1 0 2 5 3 17 95 13 7 5 1 6 5 2 25 43 22 2 3 1 1 2 33 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 2 2 3 2 7 5 4 5 16 7 4 2 2 1 2 1 1 1 1 1 0 1 2 1 1 3 100 22 8 3 4 5 33 23 2 6 2 5 79 15 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0 1 1 1 1 1 1; 1HNMR: 75 75 d 1H J 7 | 73 73 m 2H | 66 66 m 2H | 43 43 s 2H | 39 38 m 1H | 31 30 pd 1H J 7 66 | 14 14 d 3H J 68 | 14 14 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CN)ccc1S(C)(=O)=O
ir: 10 17 8 2 3 4 6 4 2 5 8 4 5 7 6 5 3 2 2 2 6 6 5 2 1 3 1 2 3 5 2 2 1 2 2 5 3 10 17 10 3 4 3 6 4 9 10 80 52 20 14 2 7 25 10 7 10 35 27 21 3 1 5 2 7 37 35 27 11 9 37 89 30 12 5 13 6 4 9 23 4 6 10 6 55 24 7 4 4 10 5 5 17 31 23 13 3 4 3 3 3 3 5 9 16 59 32 6 2 2 2 2 1 2 2 4 5 8 6 14 16 14 6 5 27 13 12 10 12 11 7 17 47 100 24 3 5 10 4 8 14 12 6 3 2 2 2 3 3 9 11 3 2 12 8 2 2 1 1 2 4 27 3 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 5 8 4 2 1 2 2 2 2 3 4 1 6 7 13 25 29 24 35 18 4 2 3 2 2 2 4 3 3 6 5 21 63 2 14 5 7 3 6 57 75 9 1 1 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 90 | 72 72 ddt 1H J 9 18 91 | 70 70 dt 1H J 9 17 | 40 39 tt 2H J 9 62 | 38 37 s 3H | 32 32 s 3H | 14 14 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](C1CC1)N1CCn2nc(COc3ccccc3)cc2C1=O
ir: 7 3 3 2 2 2 1 2 2 2 4 1 1 2 7 3 1 3 1 2 5 2 4 3 3 9 2 2 3 4 5 5 7 3 3 3 9 32 13 28 82 100 51 40 27 22 4 4 2 1 1 2 2 0 2 3 4 3 3 5 3 1 9 3 4 2 8 8 8 51 6 3 2 4 4 8 29 4 4 12 4 2 2 7 2 16 19 15 1 2 2 2 1 2 2 3 0 4 7 2 2 2 1 1 1 1 2 4 2 3 5 4 4 1 2 1 2 4 3 5 10 15 8 4 4 6 5 13 40 36 4 5 2 4 5 14 20 3 3 2 2 4 35 39 12 8 4 5 9 9 5 16 5 63 7 1 1 3 8 10 3 1 1 0 0 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 1 0 1 1 1 0 1 1 0 0 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 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 6 3 3 3 4 5 19 8 12 16 12 18 84 46 18 15 5 8 1 1 1 0 0 1 1 0 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 0 1 1 1 0; 1HNMR: 73 73 m 2H | 70 70 tt 1H J 15 75 | 70 69 m 2H | 65 64 d 1H J 10 | 52 51 d 2H J 7 | 43 42 m 2H | 38 38 ddd 1H J 22 40 128 | 37 36 ddd 1H J 23 41 130 | 36 35 p 1H J 57 | 16 15 ddddd 1H J 15 49 64 79 128 | 12 12 dd 3H J 16 56 | 7 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=C(c2ccccc2)CCN(Cc2ccccc2)C1
ir: 2 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 3 10 6 3 6 2 2 1 4 3 9 39 22 4 2 2 4 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 0 4 4 20 17 7 2 1 1 2 4 27 6 4 8 35 7 1 1 1 4 4 4 5 5 3 1 1 1 1 1 1 12 8 1 5 6 0 0 1 1 1 1 2 1 1 1 1 1 2 3 2 2 1 1 1 2 1 1 1 2 1 1 3 1 3 2 3 7 6 11 8 1 0 2 2 3 6 11 4 7 3 2 2 1 1 3 4 10 2 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 0 0 1 1 0 1 1 1 1 1 1 1 1 1 3 2 3 6 5 16 100 36 11 3 3 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 2H | 74 72 m 9H | 61 61 tt 1H J 10 33 | 37 37 s 2H | 33 33 dt 2H J 10 33 | 29 28 dd 2H J 43 54 | 28 28 ddt 2H J 8 39 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H]1CCCN(CCCc2ccccc2)C1
ir: 6 3 8 2 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 0 1 0 1 0 1 1 1 5 6 1 1 3 0 1 2 3 4 5 17 16 8 3 1 2 3 2 3 2 2 5 4 2 2 3 4 3 4 7 7 6 4 6 8 10 17 23 19 18 14 5 3 3 15 19 12 13 6 5 9 35 18 8 4 2 2 9 6 2 2 2 2 1 1 2 1 2 6 4 1 2 4 4 2 1 1 0 1 2 2 1 3 5 3 4 3 1 2 4 3 4 3 5 7 4 5 10 6 4 8 8 17 30 30 22 11 9 7 4 3 2 4 6 7 3 1 2 1 1 0 0 2 2 1 1 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 1 1 1 0 0 1 2 2 2 2 3 2 2 1 1 1 2 3 8 6 7 24 9 7 4 1 2 0 1 2 1 2 4 9 3 7 13 20 10 7 8 8 24 100 84 25 16 4 2 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 72 m 5H | 30 29 tdddd 1H J 15 31 45 58 72 | 29 28 dd 1H J 15 123 | 27 24 m 7H | 19 18 m 4H | 18 17 m 2H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc(NCCOC)nc1-c1ccccc1
ir: 4 4 1 3 3 2 1 2 4 6 3 3 2 2 1 2 2 1 0 2 2 1 1 2 2 1 1 3 5 8 14 4 9 4 5 16 11 6 7 4 12 9 10 17 5 2 2 4 3 2 4 7 4 3 2 2 2 1 3 4 4 4 4 4 3 4 10 4 5 12 4 8 6 6 5 4 3 6 4 4 2 2 2 2 1 1 2 2 2 1 2 2 1 2 4 2 1 1 2 2 1 1 3 2 3 8 11 9 0 15 4 7 5 14 33 10 8 13 15 10 9 6 6 6 8 10 5 6 6 6 20 6 3 2 6 24 12 2 2 2 4 9 19 100 25 7 13 4 6 3 4 4 5 2 2 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 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 3 2 3 4 2 2 3 5 5 3 4 5 5 4 11 13 46 43 20 73 29 15 14 6 3 3 2 4 1 2 2 2 1 1 2 2 2 5 17 27 8 5 5 3 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 0 1 2 1 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 74 73 ddt 1H J 14 66 80 | 62 61 t 1H J 44 | 42 42 q 2H J 64 | 37 37 q 2H J 48 | 36 35 t 2H J 50 | 34 33 s 2H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)c1ccccc1Nc1cc(Cl)nc2ccnn12
ir: 2 3 3 4 2 5 2 2 3 9 8 5 5 6 5 2 4 13 4 3 9 7 5 2 2 1 2 1 2 2 3 9 5 7 8 6 3 4 5 5 11 2 11 44 64 29 9 12 16 15 7 17 7 3 4 8 2 2 1 2 3 3 3 5 24 9 4 3 1 2 3 2 4 10 17 16 5 6 6 1 3 6 3 4 6 100 12 23 3 1 2 2 1 1 2 11 10 3 3 3 1 2 10 7 9 6 4 20 20 4 12 2 2 2 2 4 6 3 1 30 3 3 7 4 0 2 3 1 0 3 5 32 31 1 1 2 4 9 4 8 3 1 2 2 2 1 3 10 22 23 5 4 2 21 3 10 2 34 20 8 38 17 6 78 20 6 4 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 3 4 4 3 9 9 4 9 34 26 45 14 3 2 2 2 2 1 2 2 2 2 1 1 1 2 2 2 7 4 6 12 29 82 68 32 12 4 6 7 3 1 2 2 2 1 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 91 s 1H | 80 80 d 1H J 38 | 79 78 dd 1H J 14 88 | 76 75 ddd 1H J 13 74 86 | 75 75 dd 1H J 16 80 | 73 73 s 1H | 73 73 ddd 1H J 16 75 90 | 68 68 d 1H J 38 | 35 34 dt 1H J 85 170 | 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.
CCn1c(-c2nonc2N)nc2cncc(/C=C/c3ccc(OC)cc3)c21
ir: 2 1 2 2 2 2 3 7 6 17 13 21 17 7 6 5 1 4 14 7 6 10 30 3 2 3 2 2 3 7 7 5 6 2 4 2 2 1 2 5 2 2 1 0 0 1 2 2 1 2 3 3 10 13 6 5 2 2 4 2 2 1 3 3 3 3 3 1 1 6 1 1 4 3 7 7 3 4 6 2 2 5 4 1 2 3 5 2 2 1 1 1 1 1 0 0 1 1 1 3 8 6 14 2 3 10 5 1 4 1 1 18 15 2 2 3 1 1 1 3 7 5 1 2 2 2 4 2 3 2 2 3 5 2 2 3 11 1 0 1 1 0 1 1 1 1 1 4 3 5 11 3 23 7 2 5 2 2 19 7 10 1 1 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 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 12 9 11 18 8 5 2 1 1 1 1 0 1 1 0 0 1 1 1 1 1 13 3 1 1 1 0 0 0 0 1 1 1 2 100 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 88 d 1H J 16 | 87 87 d 1H J 17 | 78 77 d 1H J 160 | 74 73 m 2H | 72 71 m 1H | 69 69 m 2H | 64 64 s 2H | 44 43 q 2H J 56 | 38 38 s 3H | 15 14 t 3H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCc1ccc(O)c(CCC(=O)OC)n1
ir: 3 4 6 4 2 7 7 6 4 8 3 2 5 15 9 11 9 8 12 6 8 6 10 5 2 3 3 4 2 1 1 1 1 1 1 4 6 4 3 4 10 6 3 1 2 2 2 1 1 3 2 2 13 36 20 4 1 1 1 1 2 3 6 7 2 2 1 2 7 2 2 1 1 1 1 1 1 1 1 0 1 2 2 4 3 1 1 2 3 3 3 7 23 3 6 6 13 12 11 13 13 7 3 2 2 10 14 9 11 7 3 3 5 5 5 4 14 11 11 9 23 12 2 5 3 3 5 4 3 2 2 5 2 5 2 3 7 5 6 13 6 2 11 23 39 11 6 1 3 2 20 21 2 1 0 0 1 8 6 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 1 1 0 0 0 0 0 1 1 0 0 1 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 1 3 2 4 2 5 2 1 3 2 3 5 26 15 13 20 14 15 6 19 100 40 18 31 7 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; 1HNMR: 80 80 s 1H | 70 70 dt 1H J 9 87 | 67 67 d 1H J 88 | 37 36 d 6H J 20 | 31 30 dd 2H J 80 86 | 29 28 m 4H | 24 23 t 2H J 82 | 19 18 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(C(C)C)n1
ir: 1 1 1 3 4 1 1 1 2 1 2 1 1 0 0 1 0 1 1 1 2 3 4 7 7 8 2 3 1 0 1 1 2 2 10 7 9 5 2 8 14 41 29 5 2 2 2 0 1 2 2 3 1 1 1 0 3 3 4 8 4 1 1 1 1 0 1 1 1 1 3 1 1 5 20 7 12 3 5 3 1 1 3 1 1 1 6 1 1 1 1 2 8 6 1 1 1 1 1 2 2 2 3 1 3 5 0 5 6 3 1 2 2 6 12 3 4 5 4 1 1 2 1 1 5 12 5 3 2 2 9 17 6 6 1 1 1 0 1 2 10 57 6 1 1 8 17 5 6 10 8 37 10 3 1 0 1 13 100 6 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 1 0 0 0 1 0 1 1 1 1 2 5 2 3 3 2 4 6 8 7 13 7 2 1 1 2 1 0 1 2 5 9 2 1 1 1 1 1 1 1 1 1 2 1 4 3 21 33 8 4 1 2 1 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H | 72 72 d 1H J 60 | 36 36 q 1H J 56 | 35 34 hept 1H J 68 | 31 30 s 1H | 26 26 s 2H | 21 20 hept 1H J 57 | 20 19 m 4H | 19 18 m 2H | 17 17 m 4H | 17 16 m 2H | 14 13 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncccc1-c1ccc([C@@H](C)N2C(=O)c3ccccc3C2=O)cc1
ir: 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 1 2 2 3 7 3 4 2 1 1 1 1 1 0 1 1 1 1 2 2 4 2 7 8 27 32 4 2 1 2 3 2 1 1 1 1 0 1 5 7 2 11 6 2 3 2 0 1 3 2 2 1 4 4 1 1 1 1 2 1 1 1 0 1 1 1 1 1 2 1 4 2 1 6 3 1 2 1 0 1 1 2 4 2 2 3 1 1 0 1 0 1 1 1 1 1 1 5 3 3 1 1 2 1 3 3 3 3 2 4 3 2 2 2 8 4 4 13 10 9 2 0 2 12 2 1 1 0 1 9 2 1 1 3 4 1 0 3 8 61 5 8 2 1 4 1 1 0 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 1 2 1 4 8 100 26 3 3 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 dd 1H J 22 42 | 79 79 dd 2H J 31 50 | 79 78 dd 1H J 21 78 | 77 77 dd 2H J 31 51 | 76 76 m 2H | 73 73 m 2H | 71 70 dd 1H J 42 77 | 51 50 m 1H | 40 40 s 2H | 16 15 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=Cc1ccc(OC(C)C)cc1
ir: 21 12 17 27 20 9 11 10 8 10 5 7 3 4 2 5 5 4 2 3 4 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 4 3 3 2 2 1 5 13 4 7 21 29 67 62 19 4 6 4 5 2 4 1 3 10 3 3 7 10 4 3 7 8 3 24 17 31 66 35 65 9 29 18 5 3 4 6 5 3 3 2 2 2 1 1 2 1 9 7 21 8 2 5 4 6 1 7 5 6 19 11 4 8 5 5 2 8 2 6 3 6 2 8 9 8 8 12 8 20 6 8 4 3 3 3 2 4 2 2 6 9 27 34 17 8 4 21 66 20 7 8 15 21 5 1 2 1 1 4 2 2 1 1 1 2 7 10 3 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 4 3 1 3 3 4 1 2 5 3 2 5 6 8 18 23 59 57 100 65 8 12 4 4 2 3 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 dd 1H J 9 159 | 74 74 m 2H | 69 69 m 2H | 64 63 d 1H J 159 | 47 46 hept 1H J 57 | 42 41 q 2H J 61 | 13 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCc1ccnc(C(=O)O)c1
ir: 2 1 1 1 1 2 3 5 3 1 2 2 4 3 2 8 10 13 4 9 100 53 8 3 0 3 2 2 1 1 1 1 1 1 4 1 2 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 3 1 1 1 1 1 1 3 3 1 2 4 7 2 1 11 6 6 8 10 14 18 7 3 5 2 3 5 5 4 1 1 1 1 1 2 11 6 2 1 1 1 1 1 2 2 1 1 1 1 1 1 2 3 1 1 1 2 1 1 1 1 2 1 4 3 2 2 3 2 2 1 2 13 4 1 1 1 2 1 1 1 1 1 1 1 1 1 2 7 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 13 4 1 1 1 1 1 2 1 45 23 8 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; 1HNMR: 86 85 d 1H J 46 | 78 78 dd 1H J 11 21 | 73 72 ddt 1H J 8 19 46 | 27 27 tt 2H J 9 81 | 16 15 m 3H | 9 9 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cccc(NC2CCNCC2)c1
ir: 2 2 1 3 1 5 8 5 3 3 5 3 6 3 2 2 6 10 11 7 4 6 5 3 1 3 3 2 7 5 11 5 5 4 2 1 2 3 3 2 1 1 1 1 2 3 7 26 21 4 5 6 5 6 6 2 3 3 3 2 1 1 1 2 1 2 6 10 12 11 3 2 2 1 2 1 1 3 4 2 2 1 1 1 0 0 1 1 3 6 1 1 1 2 1 1 1 0 1 1 1 0 1 1 2 10 8 6 2 4 9 11 17 7 14 10 19 8 3 4 6 2 3 2 3 5 5 8 19 26 7 3 4 2 4 3 3 3 5 2 2 1 4 15 28 23 2 3 2 0 0 3 2 1 2 13 22 2 1 1 2 17 13 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 6 5 14 11 14 3 2 2 1 1 3 1 2 1 1 2 2 5 7 5 4 10 64 100 32 17 11 22 23 10 6 8 1 1 1 2 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 t 1H J 81 | 69 68 ddd 1H J 12 22 79 | 67 67 t 1H J 21 | 66 65 ddd 1H J 12 22 82 | 43 43 d 1H J 71 | 38 38 dp 1H J 49 73 | 37 36 p 1H J 42 | 30 29 dddd 2H J 22 40 48 141 | 29 28 dddd 2H J 22 41 49 141 | 20 19 dtd 2H J 23 49 137 | 17 17 dtd 2H J 23 49 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(Nc2ccccc2)CCN(C2CCC3CCCc4cccc2c43)CC1
ir: 2 2 2 5 2 10 5 13 7 5 3 3 1 4 17 11 10 5 2 2 3 1 1 3 3 11 14 6 3 9 3 4 2 3 3 3 6 6 6 9 7 29 26 6 5 6 8 10 13 6 3 4 1 2 2 3 1 1 1 0 2 1 2 1 1 3 8 6 11 13 3 1 0 0 1 2 1 1 3 5 2 2 5 15 15 5 4 1 3 8 11 5 7 4 3 3 8 4 3 11 9 3 4 7 5 17 1 3 10 2 2 3 5 6 6 6 4 4 6 2 2 3 2 2 7 6 4 10 5 4 7 4 10 7 18 6 5 8 8 11 16 10 4 11 9 24 9 13 4 1 2 1 4 14 2 2 1 5 1 1 3 23 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 2 3 3 5 5 8 2 0 2 3 3 5 24 27 16 40 27 12 11 4 3 1 0 1 1 1 1 1 0 1 0 1 2 2 1 3 3 5 11 100 24 12 5 4 3 3 2 2 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H | 72 71 dd 1H J 77 88 | 72 71 m 2H | 71 70 ddt 1H J 9 17 77 | 68 68 tt 1H J 12 70 | 67 67 m 2H | 49 49 s 1H | 36 36 td 1H J 7 60 | 30 29 ddd 2H J 31 59 124 | 28 27 m 5H | 24 23 ddd 2H J 31 59 125 | 21 20 m 3H | 21 20 m 1H | 20 17 m 5H | 15 14 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1(c2ccccc2)CN(C(=O)OCc2ccccc2)CC1CO
ir: 16 9 7 10 20 59 65 17 17 8 5 9 4 9 13 6 3 3 3 2 3 2 2 2 2 5 2 3 3 7 5 16 18 3 4 6 3 5 6 15 49 52 8 3 4 3 2 1 2 6 3 12 11 5 5 5 3 15 2 9 17 16 19 21 45 46 6 9 16 15 8 5 5 6 13 4 2 3 18 9 6 4 2 5 3 5 15 37 37 42 32 8 6 9 6 4 5 11 8 2 2 1 2 4 4 4 1 3 2 3 1 7 16 12 47 8 1 4 7 7 3 6 19 19 10 13 18 13 18 14 26 20 24 42 66 42 20 4 2 1 3 7 16 10 12 11 13 7 4 4 52 64 3 15 4 0 1 1 1 0 1 1 1 1 0 1 2 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 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 1 1 1 0 0 1 1 1 5 4 2 1 1 1 3 0 2 3 29 17 21 100 23 24 7 1 2 3 12 8 6 7 4 3 7 42 37 12 14 5 2 3 8 43 63 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 11H | 52 51 s 2H | 42 41 d 1H J 136 | 40 39 d 1H J 138 | 39 38 ddd 1H J 42 59 121 | 38 37 dd 1H J 38 122 | 36 36 ddd 1H J 42 59 121 | 35 35 dd 1H J 37 122 | 30 30 t 1H J 59 | 25 24 s 2H | 24 24 p 1H J 39
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(NC(=O)c2ccco2)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccccc2)c1
ir: 2 1 1 1 2 9 1 2 5 3 8 20 4 3 4 3 3 3 3 2 2 6 26 7 8 5 5 5 2 7 30 9 10 18 8 8 17 6 4 5 7 20 4 3 4 4 5 3 4 5 7 7 5 2 5 4 5 3 4 3 2 2 5 1 9 2 12 16 24 7 2 1 3 3 2 2 2 3 3 1 3 3 8 6 12 5 20 11 9 3 1 2 2 5 3 2 2 3 3 2 1 1 2 3 2 3 3 22 17 2 1 2 26 7 2 2 4 2 6 6 14 6 0 7 38 36 8 4 4 6 3 1 0 2 13 20 5 6 4 17 4 5 8 4 4 8 3 2 7 90 6 3 2 2 3 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 7 4 5 6 31 15 10 9 4 4 2 1 1 1 1 1 1 1 1 1 2 1 2 2 2 7 2 5 17 6 8 100 9 6 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; 1HNMR: 100 99 s 1H | 81 81 d 1H J 16 | 80 79 qt 2H J 13 35 | 77 77 dt 3H J 14 84 | 74 74 m 2H | 73 73 dd 1H J 16 51 | 67 67 dd 1H J 15 51 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2c(F)cccc2C1c1cc2c(cc1O)OCO2
ir: 7 9 13 11 1 10 7 4 2 4 8 7 16 18 8 5 10 20 7 3 3 6 8 7 18 20 24 8 9 12 6 2 4 7 7 8 11 13 7 3 3 7 9 10 3 7 5 3 3 40 16 5 4 5 4 9 5 12 4 2 4 6 4 3 22 38 53 9 23 26 3 2 5 6 3 4 6 24 32 15 5 5 2 2 5 5 4 5 43 54 6 3 5 6 33 6 9 12 2 4 7 10 6 5 14 5 4 4 5 4 1 5 8 4 8 13 7 4 2 4 5 5 3 6 40 73 8 4 7 3 2 6 7 3 1 5 6 3 3 17 22 20 2 6 5 2 3 14 17 4 5 7 15 11 30 27 37 12 56 55 8 2 6 7 4 0 3 6 3 1 3 6 4 1 4 6 3 1 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 6 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 2 4 5 3 2 4 5 2 2 6 6 4 3 5 4 2 2 5 4 2 3 5 5 1 2 5 4 2 3 6 5 2 4 6 5 2 6 8 5 2 4 17 34 27 62 12 7 6 5 14 54 51 8 7 3 2 4 5 3 2 4 5 4 3 5 8 21 97 100 14 5 6 5 6 4 3 5 4 2 3 6 5 2 5 8 5 2 3 5 3 1 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 4 3 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 4 4 2 3 4 3 2 3 5 3 2 3 5 3 1 3 5; 1HNMR: 92 92 d 1H J 44 | 75 75 dt 1H J 10 77 | 74 73 s 1H | 73 72 td 1H J 51 80 | 71 71 ddd 1H J 12 81 101 | 68 67 d 1H J 6 | 65 64 s 1H | 59 59 m 2H | 53 53 d 1H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(C=CC2CSC(=O)NN2)cc1
ir: 9 16 10 23 32 14 7 9 6 7 8 6 4 4 5 3 5 4 5 4 6 15 23 28 8 5 8 5 9 8 7 3 4 8 4 4 4 6 4 2 6 7 5 2 7 11 12 15 8 6 6 7 14 29 25 6 5 8 10 5 17 9 6 5 4 4 2 1 4 12 2 1 3 8 9 11 26 22 15 7 4 3 2 18 11 4 3 3 5 6 2 2 3 3 1 2 3 3 3 4 16 4 3 2 4 12 20 6 6 3 3 9 16 8 1 3 5 5 1 4 4 3 5 7 8 6 3 9 8 18 15 16 9 9 5 8 4 3 2 3 3 2 2 3 3 2 3 5 4 4 4 6 33 71 13 100 21 2 4 4 31 9 3 4 3 8 4 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 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 3 1 1 2 3 1 1 2 3 1 1 3 3 1 2 3 2 1 1 3 3 1 1 3 2 1 2 3 5 3 3 4 4 1 2 5 3 3 9 17 17 21 17 11 2 1 2 4 3 3 4 3 2 2 3 4 5 7 8 25 42 44 42 10 5 15 13 3 2 4 9 30 32 4 5 4 1 2 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 73 73 m 2H | 66 66 m 2H | 66 65 m 1H | 61 60 ddt 1H J 9 50 159 | 50 50 d 1H J 53 | 46 46 dd 1H J 43 54 | 44 44 s 2H | 37 37 dddd 1H J 17 33 50 75 | 32 32 ddd 1H J 9 33 134 | 30 29 ddd 1H J 9 33 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](c1c(Cl)ccc(F)c1Cl)c1c[nH]c2ncc(C3=CCCN(C(N)=O)C3)cc12
ir: 1 1 1 1 1 1 0 1 1 1 3 9 7 10 3 2 1 3 3 2 2 1 2 3 5 4 1 2 6 1 1 1 1 1 5 10 24 8 13 29 4 2 3 1 1 1 1 0 0 2 2 0 10 16 4 6 1 0 1 2 2 1 3 1 2 4 3 1 2 1 2 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 1 5 1 0 4 1 2 2 1 2 1 1 1 1 2 2 2 5 6 2 2 1 1 3 2 4 3 3 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 5 3 2 2 6 1 0 1 1 1 0 4 9 33 15 3 5 4 7 24 100 32 4 2 2 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 2 3 7 5 4 3 12 11 4 4 1 1 1 0 1 1 0 0 1 1 1 1 5 6 0 1 1 2 1 1 4 14 5 4 5 9 95 19 2 1 2 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 18 | 80 80 d 1H J 17 | 74 74 dd 1H J 48 71 | 73 72 dd 1H J 71 102 | 72 71 m 1H | 62 62 ddt 1H J 9 43 51 | 54 54 s 2H | 46 45 m 3H | 38 38 m 2H | 23 22 qt 2H J 10 44 | 18 17 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1c(C)cnn1C
ir: 20 21 6 4 4 6 3 4 11 22 9 12 3 16 31 4 3 2 2 1 1 2 1 2 5 5 9 14 16 6 3 1 1 2 2 1 1 2 1 1 1 1 2 1 5 5 3 2 2 4 3 2 1 1 1 0 1 1 1 1 1 2 15 54 44 26 6 2 3 5 4 6 3 2 2 6 4 2 1 0 1 2 1 2 2 1 0 0 1 1 1 1 3 6 5 6 13 7 6 6 10 12 54 54 2 2 0 1 3 2 1 2 3 3 1 10 11 9 13 14 10 10 13 25 19 19 10 12 13 9 7 16 5 1 2 1 3 4 4 4 4 2 3 62 100 12 3 4 8 11 4 6 7 8 3 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 5 10 2 2 2 9 9 16 6 3 4 4 2 13 53 17 10 3 1 3 2 3 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 72 72 s 1H | 37 37 d 6H J 31 | 37 36 s 2H | 22 22 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(F)c(COc2nsc(NC(=O)NCCCCN3CCN(C)CC3)c2C(N)=O)c(F)c1F
ir: 1 2 1 1 0 0 0 1 4 1 1 5 10 3 1 2 1 0 1 2 5 2 3 9 28 19 4 0 1 1 1 1 0 3 8 4 1 2 1 0 0 1 1 1 1 0 2 8 2 1 4 1 1 2 2 7 17 50 30 4 2 1 1 2 3 2 1 1 3 4 2 4 1 1 1 1 1 1 2 13 11 9 1 0 5 8 0 1 1 1 1 0 1 1 0 0 1 3 1 1 2 10 3 1 1 1 0 1 1 1 1 1 10 6 0 1 3 1 1 2 2 1 0 1 2 2 3 2 1 0 1 0 1 0 0 1 1 2 1 0 1 0 1 1 1 1 1 3 5 1 1 2 2 12 2 2 5 9 11 100 3 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 0 0 1 1 1 2 4 2 1 5 3 1 0 0 0 1 0 0 0 0 0 0 1 1 1 1 2 45 2 0 1 2 1 12 11 3 3 2 1 3 34 6 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 78 77 t 1H J 46 | 73 73 s 2H | 69 68 dd 1H J 43 121 | 56 55 t 2H J 47 | 30 29 td 2H J 46 57 | 26 25 m 10H | 24 23 m 6H | 17 16 m 2H | 15 15 ttd 2H J 12 57 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.