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C[C@@H](Nc1c(C(N)=O)cnn2cc(-c3cccc(CNC(=O)NC4CC4)c3)cc12)C(C)(C)F
ir: 1 1 0 2 2 2 1 1 1 1 1 1 1 7 16 3 3 3 6 11 2 2 6 5 6 7 3 2 1 3 3 2 6 3 2 3 3 5 9 7 33 14 10 5 3 2 8 48 11 21 20 1 4 5 4 3 2 3 2 0 4 6 2 3 5 9 5 2 1 3 2 5 2 1 4 4 4 7 4 4 1 3 2 0 2 1 1 1 1 2 0 6 9 2 2 1 1 1 5 7 4 3 2 2 3 3 1 2 1 1 0 1 1 2 4 3 8 5 0 4 3 8 3 5 4 3 2 4 4 3 5 3 3 3 8 2 15 10 3 3 4 5 6 7 7 10 24 19 3 4 41 7 11 15 12 6 3 13 55 6 100 9 15 3 1 1 1 0 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 2 0 1 1 1 1 1 1 0 1 4 2 6 4 10 5 11 8 6 8 23 6 5 1 2 1 1 1 1 1 3 1 1 3 5 3 1 4 5 16 38 22 15 17 12 5 34 56 2 3 2 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 dd 1H J 35 84 | 88 87 s 1H | 85 84 d 1H J 16 | 76 76 tt 1H J 9 21 | 75 74 m 2H | 74 74 s 2H | 74 73 dddd 1H J 9 18 23 77 | 68 68 d 1H J 18 | 60 60 d 1H J 73 | 58 58 t 1H J 51 | 44 43 dt 2H J 9 51 | 41 40 m 1H | 28 27 dp 1H J 46 75 | 17 17 d 2H J 14 | 17 16 dd 3H J 15 24 | 16 16 d 1H J 14 | 10 9 m 5H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2ccccc2C1c1csc(C2OCCO2)c1
ir: 2 2 2 3 5 7 11 4 6 6 11 26 7 8 5 3 4 2 3 4 3 1 2 6 5 1 2 4 3 5 3 2 1 1 1 3 2 2 2 5 5 4 12 11 4 1 1 2 1 1 4 5 4 2 2 5 4 4 4 5 7 8 5 4 3 2 1 2 1 1 3 3 5 21 15 13 5 7 10 5 2 2 2 2 2 3 4 5 23 12 6 4 3 2 3 2 1 2 2 2 2 2 3 2 1 2 2 1 1 2 3 2 2 3 5 4 10 9 13 12 9 7 7 4 5 3 5 10 2 8 6 3 3 5 7 15 2 4 4 1 1 6 2 2 2 3 1 1 5 23 7 100 3 3 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 2 2 2 2 2 3 4 3 5 18 8 13 13 20 9 14 16 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 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: 74 74 ddd 1H J 7 15 80 | 73 72 td 1H J 18 78 | 72 72 m 2H | 72 71 ddt 1H J 9 18 81 | 71 70 dd 1H J 7 16 | 58 58 d 1H J 8 | 55 55 d 1H J 8 | 42 41 ddd 1H J 38 64 124 | 40 40 m 2H | 39 38 m 2H | 36 35 ddd 1H J 37 62 124 | 30 29 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1ccc2ccc(CC3CO3)cc2o1
ir: 7 4 0 3 7 5 1 8 7 3 1 5 5 3 2 6 8 9 3 6 8 5 3 5 5 2 4 5 5 2 3 8 6 4 6 10 12 7 13 10 6 2 3 9 29 29 16 12 8 5 6 10 14 11 40 39 16 1 5 7 3 1 5 8 3 0 7 14 18 5 11 13 6 7 18 6 5 3 5 6 3 3 6 7 4 7 6 5 3 7 13 23 8 5 6 4 3 6 18 100 6 4 6 4 2 3 6 3 1 3 6 4 15 9 6 5 18 12 9 6 1 4 7 7 7 13 7 4 2 7 6 8 16 45 5 3 2 4 7 15 4 5 6 5 4 32 14 25 12 6 67 11 8 12 8 4 4 59 57 9 5 9 4 9 4 7 3 0 3 6 3 0 3 6 3 0 3 6 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 8 5 3 5 10 6 3 10 9 9 12 10 64 80 46 32 12 5 8 7 6 3 2 4 5 3 2 4 4 2 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 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 4 2 3 4 3 2 3 4 3 2 3 5 3 1 3 5 3 1; 1HNMR: 77 77 d 1H J 95 | 75 75 d 1H J 85 | 71 70 ddt 1H J 9 18 86 | 70 69 dt 1H J 8 17 | 63 62 d 1H J 93 | 31 30 m 1H | 30 30 m 1H | 28 27 m 2H | 26 25 dd 1H J 25 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(-c2nc3ccccc3o2)ccc1NCCO
ir: 12 20 28 20 7 31 19 22 23 41 6 21 41 18 36 21 15 23 30 18 27 31 30 41 19 18 7 15 18 3 7 5 7 4 2 5 7 8 4 4 4 7 33 12 8 5 12 4 3 4 3 4 5 9 12 46 8 2 8 6 2 3 4 7 3 3 5 26 48 9 7 13 5 6 22 3 14 5 5 5 3 4 11 10 16 13 15 77 30 30 12 10 11 11 6 5 4 5 4 4 3 3 3 6 12 24 6 3 3 4 3 5 5 6 4 3 2 5 6 7 41 23 16 12 6 8 8 5 3 9 27 9 9 9 9 20 42 35 4 13 5 4 7 21 4 2 4 5 9 80 73 13 36 25 18 2 5 9 72 24 13 0 4 7 3 4 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 3 2 2 3 3 3 3 4 2 3 3 4 5 7 4 9 9 17 65 47 13 9 9 8 4 29 45 21 15 8 3 5 3 5 5 2 4 19 7 10 8 36 52 92 19 26 20 37 52 100 8 10 4 2 3 4 3 1 2 3 3 2 2 3 2 1 2 3 2 2 2 2 2 1 2 3 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 76 75 m 2H | 75 75 dd 1H J 22 84 | 75 74 ddd 3H J 23 70 128 | 71 70 d 1H J 84 | 62 61 t 1H J 57 | 44 44 s 2H | 42 41 t 1H J 55 | 37 36 dt 2H J 46 56 | 35 34 dt 2H J 45 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)[C@@H]1CC[C@@H](CC(=O)O)CC1
ir: 0 2 3 1 2 3 1 3 1 3 7 10 9 13 21 6 6 8 19 10 10 92 100 24 35 4 5 3 4 1 2 2 2 1 1 2 1 0 1 2 1 2 2 5 2 5 2 3 4 3 2 2 2 0 2 3 1 1 1 2 2 4 4 6 1 1 1 1 0 0 0 1 1 2 2 5 6 17 47 37 12 6 5 2 2 3 7 5 3 1 1 1 1 2 2 3 2 6 5 5 2 3 3 3 2 11 9 5 3 3 2 5 14 6 4 2 1 2 5 3 4 4 3 3 4 3 2 1 5 9 8 7 2 6 3 4 5 3 2 5 4 3 17 20 50 23 6 3 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 2 4 3 3 4 3 3 5 8 10 18 8 6 4 1 0 0 1 0 0 0 1 3 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; 1HNMR: 24 23 m 1H | 22 21 m 1H | 20 19 m 1H | 16 15 m 4H | 14 13 m 2H | 13 12 m 2H | 11 10 dddq 1H J 15 43 68 97 | 9 8 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCCCSN1C(=O)C=CC1=O
ir: 2 2 1 2 1 2 6 4 2 2 2 1 2 2 2 1 1 1 1 2 4 4 2 2 2 6 2 3 4 5 2 2 2 2 2 2 1 2 2 1 2 4 3 2 2 2 2 3 2 4 4 4 66 37 2 6 4 0 2 3 2 1 2 2 3 2 2 5 2 2 6 5 5 3 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 3 13 2 2 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 10 11 7 4 2 4 2 2 4 3 5 5 3 3 2 3 8 2 2 1 2 3 1 1 3 3 3 2 4 6 4 2 2 2 1 1 2 2 1 1 2 2 1 1 4 3 0 9 100 12 5 2 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 3 3 3 3 3 3 4 18 6 3 6 15 6 12 7 25 13 6 20 4 2 3 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 68 s 2H | 59 57 m 1H | 51 51 m 1H | 50 49 ddt 1H J 13 24 172 | 29 28 t 2H J 50 | 21 20 tdt 2H J 14 67 80 | 16 15 p 2H J 51 | 14 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2ncc(C3=CCNCC3)cc2-c2nc(C)nc(N)n2)cn1
ir: 3 3 2 3 1 1 2 2 2 2 3 2 4 4 3 5 4 2 5 9 5 1 1 2 5 14 6 4 3 6 2 5 7 17 9 6 3 4 3 11 11 3 3 5 7 2 4 3 2 1 2 6 7 9 24 39 2 6 6 2 1 2 1 4 2 4 4 1 14 5 13 8 2 2 2 2 1 1 1 1 1 2 1 1 0 1 1 1 2 1 0 1 1 1 1 2 2 1 1 1 1 1 0 0 1 1 1 4 15 2 2 9 4 2 5 21 4 4 2 1 2 3 8 1 1 5 10 12 3 1 1 3 7 1 4 2 1 9 4 3 3 12 1 13 9 6 15 100 27 5 13 2 3 7 4 4 25 19 4 1 0 3 1 1 18 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 1 1 1 1 3 2 2 3 6 11 5 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 4 9 22 13 8 3 2 5 8 21 17 5 3 28 50 4 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 s 1H | 83 83 d 1H J 19 | 82 82 d 1H J 16 | 79 78 d 1H J 16 | 74 74 dd 1H J 20 82 | 68 68 d 1H J 82 | 63 63 s 2H | 61 61 tt 1H J 9 27 | 40 39 s 3H | 37 36 p 1H J 43 | 34 34 ddt 2H J 10 28 45 | 31 30 m 2H | 30 30 ddt 2H J 9 34 55 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cnc2c(c1)N(c1ccccc1)C(=O)C2
ir: 1 2 7 4 6 1 4 4 6 2 2 2 1 1 1 2 2 2 3 2 3 2 1 1 3 3 14 25 28 8 6 10 7 4 7 7 2 1 4 9 95 8 3 3 2 1 1 0 1 1 2 2 0 1 0 1 4 2 1 1 1 1 4 4 7 14 12 20 28 13 3 4 6 6 5 6 4 2 9 2 1 1 3 5 19 2 2 1 5 6 4 1 1 1 0 1 1 2 4 1 1 1 0 14 3 3 1 1 0 1 1 1 1 2 5 4 3 2 3 0 2 1 1 2 1 3 7 10 61 7 1 1 1 1 5 48 18 5 3 3 3 1 4 35 27 6 4 27 16 96 14 11 7 2 8 21 0 2 1 2 6 18 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 0 1 1 1 1 1 1 2 7 10 3 2 1 2 2 3 2 22 9 18 100 37 11 5 4 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 16 | 76 76 d 1H J 16 | 75 75 m 1H | 75 74 m 2H | 74 73 m 2H | 42 41 q 2H J 67 | 38 37 s 2H | 14 13 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(/C(=N\OC(C)=O)c2ccccc2F)c(O)c1Cl
ir: 5 3 2 2 1 2 1 1 2 2 0 1 3 2 2 1 2 3 6 9 6 4 3 2 9 8 9 3 3 1 2 1 2 1 3 2 2 2 4 4 6 18 29 6 11 3 3 2 1 1 2 1 2 6 4 8 2 2 4 3 2 1 1 2 6 3 2 4 2 13 6 3 3 1 4 1 1 1 1 1 1 5 6 3 2 5 45 100 14 3 2 1 2 2 2 4 1 1 1 0 1 1 1 1 3 2 1 0 1 1 0 1 3 3 1 1 1 1 3 3 8 8 12 30 42 4 4 5 27 15 2 1 0 2 6 4 3 14 4 1 1 3 5 4 16 6 4 9 7 5 5 11 12 2 2 1 1 0 1 3 8 6 1 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 2 6 6 4 3 16 31 17 19 5 2 3 2 6 87 54 9 2 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 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 76 75 m 2H | 73 73 td 1H J 14 84 | 73 72 m 2H | 68 68 d 1H J 81 | 39 39 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccc(F)nc2)nc2cc(F)cc(F)c2c1Cl
ir: 1 1 0 3 1 2 1 0 0 1 1 1 2 3 1 3 1 4 0 1 1 2 1 1 1 2 5 3 1 1 1 3 10 19 3 2 24 2 2 2 1 6 2 1 1 0 3 1 1 1 2 4 12 23 20 5 2 5 3 1 1 1 0 1 1 1 3 21 16 13 4 3 1 2 2 2 1 1 1 1 0 0 1 2 1 0 1 1 4 3 2 1 0 1 2 2 1 1 5 2 0 0 1 1 0 0 1 2 7 1 1 0 0 1 8 6 3 3 7 2 2 5 5 6 15 3 2 1 1 2 3 3 10 17 20 4 1 2 5 1 1 1 1 0 17 2 3 3 13 9 2 3 9 1 2 1 1 7 40 2 19 5 1 100 2 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 1 0 0 1 0 1 0 0 1 1 1 1 0 1 2 2 6 4 7 13 37 42 4 3 3 1 1 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 dd 1H J 19 35 | 80 80 ddd 1H J 20 37 84 | 75 75 dd 1H J 22 122 | 72 72 dd 1H J 84 102 | 71 70 td 1H J 22 121 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]ncc(N2CCC(c3ccccc3F)CC2)c1C(F)(F)F
ir: 2 3 2 2 2 1 2 3 1 1 1 2 1 2 1 1 0 2 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 5 1 2 4 1 1 1 1 2 6 14 5 1 2 6 3 1 1 1 2 1 1 2 3 6 100 63 4 1 3 3 9 5 2 17 2 2 2 3 3 1 1 1 4 1 1 19 14 1 3 22 6 2 4 2 1 1 1 3 5 3 4 9 3 7 31 25 0 2 8 20 7 18 2 2 2 1 4 14 3 2 2 2 2 1 1 2 4 1 3 3 2 1 1 1 3 2 1 1 3 9 3 3 13 11 1 1 2 1 3 2 5 13 3 9 34 25 4 1 1 1 1 1 8 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 1 1 1 2 2 4 15 4 11 96 9 3 4 3 1 1 3 6 2 42 49 3 2 2 0 0 1 2 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 s 1H | 73 72 m 3H | 71 70 ddd 1H J 14 80 101 | 36 35 dddd 4H J 57 84 115 414 | 31 30 m 1H | 21 20 ddt 2H J 55 84 128 | 19 18 ddt 2H J 55 82 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CC2=C(Sc3cc(OC)c(Cl)cc3N2)C(=O)N1
ir: 9 5 3 12 8 6 3 4 4 6 4 6 7 4 4 8 7 19 11 8 12 13 15 44 13 8 12 11 8 12 10 6 5 4 5 5 12 17 84 13 16 70 39 5 9 4 7 5 5 5 8 8 5 13 5 6 4 3 4 5 5 10 7 6 4 4 23 71 23 8 12 8 8 8 8 6 10 6 11 6 3 2 4 5 3 3 4 4 3 4 11 5 3 4 4 6 5 5 3 6 36 74 17 8 5 5 8 9 6 6 6 8 10 37 12 7 8 12 15 13 6 10 9 5 2 11 8 10 10 9 12 5 3 5 14 4 3 6 11 9 11 32 11 5 5 10 16 13 4 7 6 4 13 19 19 11 26 76 6 8 6 11 15 4 4 4 4 3 4 5 4 2 3 4 3 2 4 5 3 3 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 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 4 2 4 5 3 2 4 4 3 2 4 5 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 5 4 3 4 5 4 3 6 6 7 5 5 7 5 3 7 19 11 0 22 83 8 7 5 3 4 4 4 4 5 4 4 5 4 4 4 6 7 5 7 8 8 9 40 31 64 63 100 24 13 8 6 4 3 4 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 83 82 s 1H | 74 73 s 1H | 71 71 s 1H | 53 53 d 1H J 79 | 39 38 m 1H | 39 39 s 3H | 28 27 dd 1H J 53 158 | 26 25 dd 1H J 53 158 | 17 16 m 1H | 14 13 m 1H | 9 9 td 3H J 16 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCC(c2c[nH]c3ccc(Cl)cc23)CC1
ir: 0 3 6 2 1 2 8 5 0 2 4 21 22 5 4 2 1 3 7 15 9 13 6 19 30 59 72 4 2 3 3 2 4 4 8 3 5 4 7 7 1 3 2 1 4 3 2 0 2 4 4 7 15 34 25 6 3 22 17 2 3 2 2 2 4 29 42 9 4 4 2 1 2 3 2 2 3 20 6 1 2 2 1 2 2 2 1 2 4 2 11 11 5 3 1 1 5 5 4 21 38 7 5 4 7 16 5 15 3 46 8 7 3 6 9 6 10 8 35 13 4 19 25 13 5 12 4 6 4 3 3 3 2 2 3 6 2 4 4 2 3 88 51 100 33 4 4 5 5 1 5 18 14 33 36 5 4 2 1 3 2 1 18 4 2 1 1 3 2 0 1 3 1 0 2 3 2 1 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 0 2 2 1 2 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 3 1 0 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 5 9 10 8 7 6 2 6 9 5 9 24 45 35 22 19 40 38 38 8 4 5 4 3 3 2 1 2 2 1 1 2 3 2 1 3 3 3 11 31 50 28 4 4 3 1 1 4 3 1 1 2 3 3 7 6 2 1 1 2 1 0 1 2 2 1 2 2 1 0 1 2 1 0 2 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 88 88 d 1H J 73 | 75 75 d 1H J 26 | 74 73 m 2H | 73 72 dd 1H J 26 73 | 31 31 m 1H | 27 26 ddd 2H J 57 84 148 | 26 25 ddd 2H J 57 84 148 | 23 22 ddt 2H J 58 84 136 | 20 19 ddt 2H J 58 84 135
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1
ir: 1 1 1 3 2 1 2 1 4 3 12 4 5 10 34 20 5 2 1 2 3 1 2 2 4 2 2 3 3 10 15 7 9 11 10 12 12 17 15 20 65 7 4 3 3 4 5 1 1 2 2 3 2 7 16 7 5 2 1 1 5 1 9 4 6 6 8 13 7 15 24 10 4 3 2 0 2 5 8 0 2 2 0 2 25 23 23 7 6 3 5 6 3 5 1 1 3 3 7 26 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 0 5 11 8 3 2 1 2 1 2 2 1 2 4 3 5 8 5 2 2 2 1 0 3 9 35 12 14 8 14 36 46 22 8 4 11 8 8 3 1 1 1 1 2 5 100 8 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 2 3 3 9 19 17 74 31 22 22 4 3 5 1 2 2 1 1 0 1 1 1 1 1 2 2 1 4 6 18 12 19 12 13 5 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 89 s 1H | 85 84 d 1H J 20 | 82 81 m 2H | 78 78 m 2H | 78 77 d 1H J 81 | 77 77 s 1H | 77 76 ddt 1H J 15 71 88 | 76 75 dd 1H J 22 121 | 75 74 m 2H | 72 71 ddd 1H J 21 78 100 | 22 21 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(I)cccc1C(F)(F)F
ir: 8 10 2 2 4 2 1 2 4 3 2 3 3 2 1 3 5 4 4 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 10 38 3 3 3 2 1 2 4 2 2 5 84 9 2 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 2 4 10 5 13 21 10 3 2 6 5 4 2 4 3 3 3 3 3 2 2 3 3 8 16 7 21 28 4 3 3 2 3 0 100 33 9 5 10 31 5 5 3 1 3 4 3 2 3 7 30 45 18 3 4 2 2 5 3 2 3 4 3 2 4 5 2 2 4 5 4 6 11 14 22 21 21 4 3 2 5 6 2 2 3 3 1 2 3 3 11 5 3 8 4 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 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 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 3 2 3 5 4 1 3 4 4 2 2 5 3 5 5 10 14 10 24 77 30 14 4 8 2 2 2 3 2 2 3 3 2 2 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 77 dd 1H J 13 71 | 75 74 dp 1H J 13 104 | 72 72 dd 1H J 72 105 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(OC)c1C(=O)N[C@@H]1CCC[C@H]1Nc1nc2ccccc2o1
ir: 1 2 3 3 5 5 16 9 4 7 34 10 11 7 1 4 2 4 11 2 3 2 5 8 3 3 1 1 1 1 1 0 0 1 2 1 2 16 3 2 9 14 16 34 34 14 22 25 57 16 4 3 3 2 4 4 1 2 3 4 1 4 14 13 9 1 2 0 2 1 7 4 5 8 5 9 10 4 1 1 2 4 3 1 0 1 0 1 0 1 2 5 3 2 2 1 4 7 74 4 7 7 5 9 13 23 29 17 7 4 8 14 21 23 9 4 3 8 2 7 2 3 4 6 21 27 18 29 5 4 3 1 2 2 70 75 3 6 5 7 47 33 24 16 5 2 3 5 4 5 4 7 12 3 1 1 1 5 2 1 1 2 59 9 1 1 9 5 1 1 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 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 2 4 16 4 3 6 8 13 9 14 6 13 6 17 25 30 89 26 12 100 41 36 13 21 3 1 2 3 0 1 3 3 1 0 1 4 6 10 15 86 27 6 14 5 32 26 2 2 1 1 1 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 1H | 76 76 dd 1H J 16 74 | 75 74 m 2H | 74 73 t 1H J 83 | 73 72 d 1H J 72 | 69 68 d 2H J 83 | 52 51 d 1H J 61 | 40 39 m 2H | 39 39 s 5H | 20 19 m 2H | 19 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccsc1S(=O)(=O)Cl
ir: 11 6 1 6 12 9 4 22 39 8 3 7 10 5 2 9 12 10 8 21 30 20 1 16 22 11 5 13 10 3 3 9 8 1 3 10 8 2 3 10 8 2 19 56 34 30 6 15 9 2 5 10 6 1 6 12 6 1 7 12 6 2 8 47 20 5 6 10 5 1 8 9 5 3 9 12 4 2 11 9 63 100 11 13 15 59 8 9 3 3 12 18 9 6 9 7 2 4 9 6 1 4 9 6 1 4 10 6 0 5 10 5 0 6 11 5 0 6 11 5 0 6 10 4 1 6 12 6 2 7 13 27 21 21 10 3 2 8 9 4 16 80 9 3 2 8 7 2 3 8 9 11 9 13 8 3 4 9 6 1 4 9 6 1 4 9 5 0 5 10 5 0 5 10 5 0 5 9 4 1 6 9 4 1 6 9 4 1 6 8 3 2 7 8 3 2 7 7 3 3 7 7 3 3 8 7 2 3 8 7 2 4 8 6 2 4 9 6 1 4 9 6 1 5 9 5 1 5 9 5 1 5 9 5 1 6 9 4 1 6 8 4 2 6 8 4 2 6 8 3 2 7 8 3 3 7 7 3 3 7 7 2 3 8 7 3 4 8 7 2 4 8 6 2 4 9 6 1 5 9 6 1 5 11 8 2 7 15 9 11 25 29 6 2 6 8 4 2 6 8 4 2 6 8 4 3 6 8 4 3 7 7 3 3 7 7 3 3 7 7 3 4 7 6 2 4 8 6 2 4 8 6 2 4 8 5 2 5 8 5 1 5 9 5 1 5 8 5 2 5 8 4 2 6 8 4 2 6 8 4 3 6 7 4 3 6 7 3 3 7 7 3 3 7 6 3 4 7 6 3 4 7 6 3 4 7 6 2 4 8 5 2 5 8 5 2 5 8 5 2; 1HNMR: 76 75 d 1H J 57 | 68 68 d 1H J 57 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCO)CC(=O)c1ccccc1
ir: 6 6 8 7 10 11 11 11 22 10 16 21 36 30 53 38 16 8 22 12 10 4 5 7 5 6 5 10 4 9 8 13 33 17 29 14 7 3 21 22 100 36 8 11 12 8 5 3 9 3 4 3 11 12 4 2 4 6 3 2 2 0 7 25 24 6 11 5 26 20 4 0 3 6 3 1 2 3 5 6 6 2 2 2 5 6 8 9 11 9 29 54 49 18 37 31 29 13 4 3 4 2 0 2 3 2 2 2 6 4 3 8 16 14 10 5 12 13 10 18 10 21 33 38 76 55 32 14 19 5 5 6 3 24 17 9 3 4 5 7 13 27 46 58 47 62 25 14 4 2 1 2 2 1 1 2 1 1 1 2 2 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 2 1 0 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 2 2 1 3 5 10 12 9 7 7 3 2 4 5 20 24 19 41 65 54 18 18 29 43 26 8 6 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 76 75 m 1H | 75 75 m 2H | 46 45 t 1H J 59 | 40 40 s 2H | 37 36 q 2H J 61 | 26 25 t 2H J 86 | 19 18 tt 2H J 62 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(-c2nc3c(-c4cc(F)c(CNC(=O)OC(C)(C)C)cc4C)ccnc3[nH]2)c1
ir: 5 6 3 2 3 2 5 1 2 4 4 3 2 3 4 2 2 4 11 10 5 3 7 5 10 5 57 51 28 16 9 20 21 8 7 7 4 5 3 1 2 4 3 7 2 5 3 37 23 3 2 2 2 3 3 2 2 3 1 0 1 2 2 1 3 7 5 17 16 5 7 7 9 12 5 7 3 5 2 2 3 2 2 9 4 3 3 7 3 2 1 1 4 3 5 5 9 4 7 9 1 1 1 1 2 1 1 2 4 10 2 1 3 2 2 1 2 2 1 6 5 5 4 3 5 6 3 3 6 4 9 14 3 2 2 3 33 8 9 40 10 47 13 38 20 6 8 8 11 39 16 10 9 3 3 19 9 10 16 5 2 0 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 2 2 2 2 2 1 4 2 5 7 15 14 23 100 18 8 2 2 4 3 1 2 2 3 2 1 1 2 1 1 2 2 3 3 4 8 9 12 27 41 18 9 5 7 8 2 3 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 d 1H J 48 | 78 78 ddd 1H J 11 22 84 | 78 77 d 1H J 49 | 74 73 m 5H | 69 69 ddd 1H J 11 22 79 | 60 60 t 1H J 67 | 46 46 ddd 2H J 9 36 68 | 39 38 s 3H | 25 24 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=CC(C)(C)Nc2ccc(Br)cc21
ir: 31 8 29 32 19 8 5 7 6 10 15 20 4 16 24 10 10 4 1 4 10 9 13 20 6 3 3 4 4 3 2 5 4 3 3 4 5 4 12 8 12 3 3 5 4 2 2 5 3 2 3 11 29 1 34 10 6 2 3 4 5 3 7 9 3 12 16 8 7 7 6 6 4 5 5 5 5 3 4 4 3 2 3 4 2 2 4 4 4 9 12 10 8 10 8 5 3 4 8 6 13 26 19 26 27 12 6 5 6 4 5 7 4 3 5 3 3 6 6 6 9 11 7 4 3 4 5 6 5 7 12 5 3 4 5 3 6 8 31 84 80 16 7 36 17 5 4 0 1 8 15 100 80 14 22 20 14 7 4 5 5 2 7 24 13 5 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 3 4 4 3 4 5 3 4 5 5 4 6 3 3 5 5 8 22 33 50 75 41 43 6 10 12 5 4 5 8 5 3 5 4 3 2 4 5 4 6 7 10 12 19 77 61 75 18 19 8 5 4 4 4 3 6 8 13 10 6 6 3 2 2 3 3 2 3 4 3 2 3 3 3 2 2 4 3 2 3 4 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2; 1HNMR: 74 74 d 1H J 26 | 72 72 dd 1H J 25 78 | 67 67 d 1H J 79 | 55 54 dp 1H J 10 20 | 42 41 s 1H | 21 20 d 3H J 10 | 13 13 d 6H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(N3CCN(CCc4cccc(N5C[C@@H]6CCCN6C5=O)c4)CC3)cccc2n1
ir: 4 1 1 1 1 2 7 4 2 2 1 3 2 2 1 1 1 3 3 2 2 1 1 1 3 1 1 2 3 11 13 10 12 11 7 5 26 19 4 4 2 4 7 9 4 3 3 18 15 7 47 63 6 0 3 8 7 2 4 5 3 2 6 4 3 4 5 9 14 23 4 4 2 2 2 10 6 2 9 19 28 8 15 5 35 15 4 5 4 5 16 5 5 3 5 5 7 8 9 5 6 10 6 8 8 14 17 5 8 9 6 2 2 3 2 8 8 4 3 3 1 2 1 2 2 3 3 7 4 2 1 3 3 4 13 37 10 8 6 4 6 15 15 4 3 2 2 1 4 5 37 7 9 17 36 17 57 7 4 1 29 0 5 1 8 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 3 2 3 4 3 5 2 2 5 5 6 4 11 29 6 22 100 80 18 8 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 1H J 80 | 79 78 m 1H | 78 77 m 1H | 73 73 ddd 1H J 13 22 77 | 73 72 t 1H J 77 | 72 71 m 2H | 70 70 m 1H | 70 69 ddq 1H J 10 21 78 | 42 42 dd 1H J 14 109 | 42 41 ddh 1H J 16 32 49 | 40 39 dd 1H J 33 110 | 38 37 m 1H | 37 36 m 1H | 34 33 m 4H | 28 28 m 6H | 28 27 m 5H | 20 20 dddd 1H J 28 54 78 113 | 20 19 ddddd 1H J 18 36 55 72 144 | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccccc1NC(=O)c1ccncc1
ir: 2 1 0 2 2 2 1 2 3 4 13 16 7 4 1 2 2 4 4 3 23 2 8 25 3 4 4 3 3 15 17 7 14 8 3 2 5 2 5 3 5 14 29 23 39 13 2 5 13 20 18 5 2 0 2 2 2 0 1 2 3 3 2 20 4 0 2 7 2 15 14 9 26 16 12 6 4 6 2 2 1 0 2 2 2 2 1 2 0 1 2 1 1 1 2 5 3 3 4 4 3 2 2 1 0 2 6 6 1 6 3 10 3 4 8 2 1 4 8 7 3 6 8 11 22 9 4 1 2 1 1 1 0 2 2 4 4 6 7 23 20 15 42 100 13 17 43 9 20 50 45 8 26 28 18 14 35 9 4 1 12 27 2 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 3 3 5 6 11 5 39 40 46 18 12 4 2 3 2 1 1 1 1 1 1 1 2 1 1 1 2 3 2 6 25 20 20 11 5 3 3 2 2 2 1 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 88 87 m 2H | 84 84 dd 1H J 14 79 | 78 78 dd 1H J 16 81 | 77 76 m 2H | 75 75 td 1H J 16 79 | 72 72 td 1H J 15 80 | 27 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)c2c(Nc3ccc(I)cc3F)n(C)c(=O)n(C)c2=O)no1
ir: 3 2 2 2 6 3 9 3 2 3 12 5 3 3 3 5 2 5 2 2 1 1 2 5 1 2 2 2 3 4 3 4 13 6 3 2 2 4 14 22 9 4 5 4 3 7 3 2 2 3 15 30 14 15 7 7 21 5 2 8 1 2 1 1 2 3 5 10 2 2 2 2 5 9 10 5 2 3 3 2 2 2 2 1 1 2 2 2 3 2 2 3 7 2 2 2 2 8 2 1 3 7 3 4 4 2 2 2 2 1 2 2 2 1 3 3 2 15 4 8 6 4 12 18 27 6 2 7 8 4 4 8 4 16 4 3 4 2 2 2 2 2 8 5 1 2 2 3 44 3 5 8 3 11 3 5 3 100 0 6 12 11 12 8 3 1 1 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 2 1 1 2 4 2 3 2 5 6 37 7 12 9 3 2 3 2 1 2 2 2 1 2 2 2 4 2 2 2 3 7 5 10 33 37 19 7 4 2 2 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 35 | 75 74 m 2H | 73 73 m 1H | 68 68 s 1H | 34 34 s 3H | 33 33 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1cc(Cl)cc(Cl)c1)N1C[C@H]2CN(Cc3ccc4[nH]cnc4c3)C[C@H]2C1
ir: 0 4 20 4 1 14 56 7 1 3 5 7 3 8 10 30 3 2 7 1 1 1 3 1 8 2 4 2 1 3 9 1 1 11 2 1 1 3 2 2 1 2 2 1 1 2 6 0 2 5 2 1 5 42 11 12 19 5 1 0 2 4 12 6 4 8 18 16 26 4 3 3 2 1 3 2 3 31 3 11 7 2 1 1 4 5 2 1 2 6 7 9 21 12 3 5 2 7 38 2 6 9 6 13 13 2 3 5 1 2 2 3 6 22 1 4 3 2 4 3 6 10 11 6 5 7 6 5 4 2 1 3 5 17 8 5 3 1 1 4 13 1 2 2 2 1 1 2 1 2 17 10 3 28 5 1 2 9 9 3 1 1 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 1 2 2 4 1 24 11 7 100 25 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 65 6 1 2 2 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 d 1H J 58 | 80 79 d 1H J 58 | 76 75 dd 1H J 12 22 | 74 74 d 1H J 79 | 73 72 qq 3H J 11 24 | 72 72 t 1H J 21 | 53 52 d 2H J 8 | 37 36 m 4H | 35 34 dt 2H J 32 112 | 29 28 dt 2H J 16 111 | 26 25 ddd 2H J 29 111 124 | 18 18 ddddq 2H J 16 33 53 69 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCOCC2)c1=O
ir: 0 2 2 1 1 4 5 2 8 6 3 6 5 6 1 2 7 5 12 2 5 4 6 7 3 16 47 2 2 9 5 1 7 6 4 1 3 5 6 11 6 2 5 3 2 4 5 3 3 10 10 0 5 5 14 32 13 6 2 0 3 2 1 1 2 2 1 1 3 7 4 4 3 5 2 3 2 5 17 2 1 1 2 1 2 2 2 4 3 8 8 12 4 7 5 5 23 2 5 4 2 2 3 1 1 1 1 1 2 2 1 1 1 4 3 5 3 3 2 2 11 1 4 4 5 3 3 4 4 5 5 2 4 1 1 3 8 15 4 7 2 2 9 11 3 3 5 12 17 7 2 5 8 1 1 4 2 1 1 2 14 8 0 1 19 2 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 1 2 3 1 1 1 2 3 4 5 6 10 17 8 4 3 4 3 2 37 100 7 4 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 81 dt 1H J 9 19 | 77 77 dt 1H J 8 17 | 73 72 ddt 2H J 9 35 81 | 71 70 m 2H | 48 48 s 2H | 43 42 q 2H J 71 | 40 39 p 2H J 9 | 37 37 dd 4H J 45 56 | 36 35 dd 4H J 44 57 | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4ccccc4)cc3)nc2c1
ir: 1 3 4 2 2 2 3 5 3 5 9 6 5 9 6 12 9 3 7 3 3 3 12 13 20 5 11 9 20 19 6 5 27 34 10 11 3 30 22 83 7 8 4 11 2 2 2 1 3 3 3 1 1 2 3 16 8 8 5 2 3 2 2 1 2 3 6 8 5 4 3 3 3 5 3 2 2 5 2 2 2 2 3 1 1 1 1 1 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 1 3 3 6 7 2 1 1 1 1 2 4 8 37 5 1 5 6 2 1 9 13 6 4 5 4 2 2 2 2 2 5 2 1 3 16 3 21 25 26 8 23 9 45 1 2 3 2 5 1 8 4 9 12 19 64 53 15 1 3 3 3 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 2 2 2 5 5 4 12 86 13 9 6 3 2 3 2 2 2 2 2 1 2 4 4 5 14 5 6 2 1 1 2 2 7 53 5 4 10 10 100 5 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 m 2H | 80 80 d 1H J 21 | 79 78 m 6H | 77 77 d 1H J 75 | 76 75 m 1H | 75 75 ddt 2H J 14 65 82 | 73 73 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc2c3c(cccc3c1)COC2
ir: 1 2 3 3 2 2 3 2 1 3 3 2 2 2 2 2 2 5 3 2 3 4 3 2 2 3 2 2 2 2 3 5 3 3 3 2 2 2 2 2 2 3 3 1 9 20 22 3 2 1 8 0 25 31 3 2 2 3 3 3 2 3 2 2 6 3 2 2 10 11 10 5 3 7 24 10 3 2 4 30 6 10 33 7 3 2 2 2 3 2 1 2 5 13 22 4 4 3 8 5 3 2 2 3 8 17 6 5 10 6 3 2 2 2 2 2 2 2 2 3 3 5 4 4 13 7 6 5 2 2 2 2 2 2 2 3 8 15 4 4 5 2 2 2 4 5 54 57 17 18 4 3 2 1 2 5 4 2 2 2 2 1 2 3 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 7 4 3 4 3 4 6 5 8 10 44 100 66 17 6 8 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 77 dt 2H J 13 71 | 75 74 m 2H | 73 72 ddt 2H J 8 15 77 | 48 48 d 4H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)SCC1(C(=O)NCC(=O)OCc2ccccc2)Cc2ccccc2C1
ir: 2 1 4 1 1 2 7 2 3 2 4 3 1 1 1 2 0 2 1 2 1 1 2 1 1 2 4 6 5 5 6 2 1 1 3 2 7 22 43 15 19 1 15 5 4 2 2 1 1 2 3 4 5 2 2 1 1 2 1 0 2 1 1 0 1 1 5 2 6 3 3 0 1 1 2 1 1 2 2 1 1 5 1 0 2 23 6 1 4 6 2 6 3 2 1 1 3 6 5 3 1 2 3 0 2 1 0 1 3 1 1 1 3 1 4 9 4 18 20 9 10 17 8 2 3 2 6 9 1 3 3 2 1 2 2 17 3 3 1 8 2 7 100 13 4 3 16 3 4 8 2 2 1 0 1 1 0 0 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 1 1 1 1 1 4 3 4 1 1 1 1 2 3 10 16 15 10 35 29 5 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 5 14 15 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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; 1HNMR: 77 77 t 1H J 64 | 74 73 m 6H | 73 72 m 5H | 51 51 s 2H | 39 39 d 2H J 64 | 32 31 dd 2H J 8 152 | 29 28 m 4H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCCCCCCCCCNc2ccc(C#N)cc2)cc1
ir: 11 9 14 10 9 7 4 5 7 9 15 6 6 9 4 4 4 5 5 8 4 5 4 2 3 2 4 2 3 4 4 1 3 3 4 7 12 34 11 4 6 3 2 2 1 3 2 1 1 4 4 2 7 13 27 36 40 7 8 6 3 3 6 6 4 3 4 0 5 21 5 2 3 2 1 1 2 3 1 1 2 1 1 1 1 2 2 7 4 2 1 1 2 2 1 2 3 8 3 2 7 3 1 4 12 37 13 6 6 5 2 2 3 2 2 3 4 2 5 8 4 9 7 3 6 9 5 4 4 1 1 2 1 2 2 2 4 4 5 10 23 3 2 3 2 5 7 11 100 29 16 8 5 10 2 3 3 1 1 2 1 2 8 8 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 9 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 0 0 1 1 0 1 2 1 1 2 2 2 2 1 4 4 3 2 4 2 1 2 4 5 2 12 11 21 53 31 18 7 4 5 5 3 2 2 2 2 1 2 1 1 1 1 2 3 3 6 8 32 41 79 16 13 4 4 4 1 1 2 2 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 m 2H | 70 70 dt 2H J 9 84 | 68 68 m 2H | 67 67 m 2H | 45 45 t 1H J 47 | 38 38 s 2H | 32 32 m 2H | 27 26 tt 2H J 9 81 | 17 15 m 4H | 14 13 m 2H | 13 12 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCSCC(Cc1ccccc1)C(=O)OCc1ccccc1
ir: 4 2 10 3 8 4 3 2 6 6 2 4 7 3 4 8 3 6 3 1 0 1 6 1 1 1 2 2 1 3 9 13 14 9 3 2 1 3 16 11 24 1 10 5 2 4 3 3 1 1 3 3 1 1 0 1 1 2 2 0 1 1 2 1 0 2 6 3 7 1 4 3 2 5 1 3 1 2 3 2 3 5 2 4 2 4 7 10 6 6 3 2 7 2 2 1 2 14 5 1 1 4 4 7 3 2 3 1 0 2 1 4 3 3 2 2 6 5 3 2 5 4 1 2 3 1 5 1 2 2 3 2 2 3 6 20 2 2 1 1 1 2 6 48 6 0 100 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 2 4 2 1 2 5 7 3 5 7 7 6 55 23 2 4 2 1 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 73 73 m 1H | 73 72 m 1H | 73 72 s 4H | 52 51 m 2H | 31 30 m 2H | 30 29 tt 1H J 68 82 | 29 28 ddd 2H J 47 75 133 | 27 26 m 8H | 11 10 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1(Cc2ccccc2F)CCC2(CC1)OCCO2
ir: 12 10 10 9 7 12 29 14 12 5 4 4 4 3 3 7 18 5 8 20 8 5 0 3 9 3 2 2 2 1 0 2 3 1 1 2 3 2 6 5 39 0 18 100 10 6 3 7 2 1 1 6 7 4 5 11 11 11 16 2 7 5 11 12 11 6 10 5 27 42 6 5 3 3 4 4 15 4 2 3 3 7 12 3 7 19 13 20 29 35 18 27 20 49 10 10 3 6 8 13 27 18 6 9 3 8 12 11 19 8 11 4 7 9 18 19 22 21 14 9 8 20 15 27 20 18 16 13 18 9 8 3 10 5 8 6 35 35 6 6 7 18 9 14 8 9 4 7 43 5 4 1 1 2 2 0 1 2 5 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 3 2 8 8 12 13 6 5 8 5 5 14 38 17 26 82 15 9 6 5 3 2 2 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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; 1HNMR: 73 72 dddd 1H J 18 40 77 86 | 72 72 m 1H | 72 71 m 2H | 39 39 s 3H | 29 29 dd 2H J 8 39 | 23 23 s 5H | 21 20 ddd 2H J 52 89 114 | 19 18 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1CCCNC1)c1ccc(O)c2[nH]c(C3CC4CCC3C4)nc12
ir: 1 6 5 3 4 8 7 2 5 7 6 7 17 6 10 5 5 4 8 7 10 5 8 12 12 37 36 13 9 8 9 10 6 5 11 10 21 76 23 28 11 12 5 6 9 33 60 41 18 7 23 14 13 30 12 19 16 28 5 5 6 10 5 2 3 7 5 1 7 6 5 7 12 8 10 10 2 4 8 14 39 14 7 7 11 7 20 27 30 6 2 1 4 4 2 4 9 8 5 3 7 8 13 6 8 7 15 7 12 26 14 32 19 16 4 24 21 16 2 12 8 9 16 12 10 9 9 15 16 11 9 24 10 9 7 46 45 11 2 5 4 2 7 10 7 18 64 51 11 20 13 7 6 94 4 11 5 2 14 10 3 4 3 4 3 2 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 4 5 4 4 4 4 2 2 5 4 10 8 6 5 6 11 10 8 19 13 12 5 52 23 4 4 3 5 6 8 100 92 13 4 3 5 4 6 9 10 12 54 87 29 11 23 17 29 65 80 28 15 9 6 3 4 4 2 2 10 3 2 2 3 2 1 2 3 3 1 2 3 2 0 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 99 98 s 1H | 90 89 s 1H | 79 78 t 1H J 62 | 77 77 d 1H J 91 | 70 69 d 1H J 91 | 35 34 ddd 1H J 43 62 135 | 32 31 ddd 1H J 43 62 134 | 30 29 ddd 1H J 38 50 128 | 30 29 m 1H | 28 27 m 4H | 23 22 m 1H | 21 19 m 3H | 19 18 m 1H | 17 16 ddddd 5H J 15 33 69 78 132 | 16 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2cc(C(=O)O)ccc2n1
ir: 3 11 4 3 9 3 5 6 11 4 3 3 4 3 7 9 7 5 18 19 60 12 24 100 7 3 4 3 3 4 5 3 3 3 3 3 3 3 3 3 3 3 4 3 4 9 5 7 6 4 3 2 7 5 26 23 9 0 11 2 3 4 3 3 4 5 4 5 4 6 6 5 3 4 6 10 8 8 21 4 8 16 4 4 3 5 6 10 7 5 6 3 4 3 2 3 3 3 2 3 5 3 4 3 3 3 11 4 4 3 7 6 5 4 3 4 12 6 4 3 3 3 2 4 6 4 3 3 3 3 2 3 3 2 2 7 13 6 8 4 5 7 6 6 7 3 3 16 7 7 5 5 10 6 7 8 21 16 6 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 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 6 10 14 18 15 7 5 3 4 3 3 4 19 5 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 85 85 m 1H | 82 82 dd 1H J 22 82 | 81 80 m 2H | 70 69 d 1H J 81 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2n(c3c(N4CCOCC4)cc(Cl)cc13)CCNC2=O
ir: 3 2 0 2 4 4 4 5 4 2 1 3 5 3 2 4 8 3 6 6 16 9 7 18 15 20 6 10 9 7 6 5 11 10 3 3 6 6 5 2 5 8 5 62 50 11 3 6 3 2 9 18 6 3 4 2 3 1 8 14 19 14 5 7 24 44 16 10 8 12 13 4 71 21 8 7 2 0 10 6 1 1 3 3 1 2 13 14 10 1 3 8 4 3 3 14 18 28 4 3 1 2 6 4 1 2 4 19 7 3 4 5 3 3 7 4 7 6 12 10 6 5 5 4 7 4 4 2 1 15 19 4 7 4 7 12 28 5 3 1 1 3 2 1 5 6 3 1 5 4 4 29 21 4 2 2 45 100 19 6 3 7 2 1 2 2 1 1 2 3 1 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 1 4 4 3 3 2 3 2 4 2 12 9 17 10 21 35 3 4 4 2 1 2 3 1 1 2 3 2 1 2 3 1 2 3 5 4 7 11 44 74 53 5 3 2 2 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 78 77 d 1H J 22 | 67 67 d 1H J 22 | 55 54 t 1H J 27 | 42 41 m 2H | 38 38 m 4H | 37 36 m 2H | 34 34 m 4H | 27 27 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)c(-c1cc3c(ncc4cnc(-c5ccccc5)n43)[nH]1)cn2C
ir: 4 3 3 2 3 2 1 2 4 2 2 5 16 5 2 3 5 9 15 5 3 7 9 27 34 3 1 4 3 2 7 5 11 4 5 3 2 1 2 4 5 11 19 9 46 37 15 6 3 1 2 4 6 6 22 5 2 2 3 3 4 1 6 12 30 30 12 10 33 9 10 15 15 12 15 11 2 4 6 7 6 2 2 3 1 1 2 3 2 3 2 6 13 2 2 31 6 3 3 11 6 3 8 3 2 2 2 3 5 17 45 3 0 2 4 2 1 3 5 5 5 4 6 3 4 4 5 4 3 8 40 8 4 8 11 7 5 16 18 4 6 13 4 5 21 5 14 4 23 13 4 4 29 20 40 14 9 6 2 2 2 5 4 12 9 3 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 3 2 1 2 3 2 3 5 5 6 10 28 82 100 18 29 27 19 6 3 4 3 1 2 3 2 1 2 2 2 1 2 4 3 3 3 6 11 47 38 41 9 5 4 3 2 2 3 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 90 90 s 1H | 85 85 s 1H | 80 80 ddt 2H J 15 36 54 | 75 75 m 5H | 75 74 s 1H | 74 74 s 1H | 73 73 d 1H J 80 | 69 69 dd 1H J 27 79 | 38 38 s 3H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(N2CCCC2)cc1Cl
ir: 2 2 3 2 10 3 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 2 1 1 1 1 4 4 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 8 4 4 2 2 1 3 2 3 3 38 27 7 3 3 1 1 4 3 8 24 6 9 21 4 3 9 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 3 5 6 4 1 4 5 5 3 3 5 11 14 7 4 3 2 2 2 4 4 9 14 13 2 2 3 3 5 3 5 9 1 2 1 1 2 1 2 1 1 1 1 2 1 2 2 3 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 3 2 28 11 3 4 2 23 1 2 2 2 2 2 100 5 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 3 2 1 1 1 2 2 3 7 3 13 83 10 7 2 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 d 1H J 82 | 70 70 d 1H J 22 | 68 68 dd 1H J 21 81 | 35 35 m 4H | 22 21 p 4H J 19
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCNC(=O)N1CCc2cc(C(=O)NO)ccc2C1
ir: 2 2 1 2 2 3 2 1 1 3 2 2 1 3 3 3 1 3 2 1 2 2 1 2 1 2 1 2 1 3 1 1 1 1 1 2 5 2 20 48 5 5 10 5 2 3 1 0 1 6 5 1 1 3 1 3 1 3 4 1 1 1 1 1 2 4 1 5 6 5 3 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 4 2 3 4 5 3 10 5 24 35 3 2 1 1 1 1 2 1 1 1 2 1 1 3 6 3 1 5 3 2 2 1 1 3 2 2 4 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 28 8 1 13 14 98 100 16 4 25 13 23 3 2 3 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 1 2 1 1 2 3 1 7 4 4 4 12 6 3 3 2 2 1 2 21 15 3 1 1 1 1 3 5 5 5 4 6 4 5 9 31 27 14 8 2 4 1 0 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 97 96 d 1H J 35 | 93 93 d 1H J 35 | 78 77 m 2H | 73 72 dt 1H J 9 84 | 60 59 t 1H J 54 | 46 46 d 2H J 10 | 38 37 m 2H | 34 34 m 2H | 34 33 m 2H | 33 33 s 3H | 29 29 ddd 2H J 8 41 60 | 19 18 p 2H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(C2COCCS2)cc1Cl
ir: 4 6 6 6 10 5 7 6 5 6 6 5 4 5 6 5 5 8 6 22 7 7 7 4 4 6 7 4 5 6 6 9 11 8 19 22 6 8 6 9 9 8 7 7 16 10 7 4 6 10 11 3 14 47 49 23 8 7 6 8 7 6 6 5 7 9 45 17 7 14 16 4 5 7 5 8 26 19 8 8 9 11 6 5 5 13 9 5 5 7 15 25 23 14 7 9 8 11 8 6 12 12 6 6 8 11 12 21 11 6 6 6 6 8 6 6 7 19 19 7 8 8 7 9 28 25 12 7 5 8 6 6 5 5 5 4 10 23 0 6 6 4 4 6 6 5 13 35 43 8 8 12 11 10 6 6 5 4 5 7 8 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 5 4 5 5 4 4 6 5 4 5 6 5 4 5 6 6 5 6 9 14 10 7 11 8 17 15 11 9 17 33 16 71 100 55 14 11 11 11 7 6 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 74 74 m 2H | 72 72 m 1H | 42 41 m 2H | 40 39 dd 1H J 38 101 | 38 37 m 2H | 31 30 ddd 1H J 24 46 137 | 29 29 ddd 1H J 24 47 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCNCc1ccccc1
ir: 19 28 14 25 25 9 23 21 21 11 7 7 8 6 4 8 11 3 2 12 11 6 4 14 10 4 2 7 9 14 5 12 13 13 7 12 11 11 23 21 30 14 18 22 11 9 13 23 14 26 17 16 16 16 24 16 6 2 9 12 7 1 7 13 12 1 16 33 17 12 17 31 8 5 9 8 4 4 7 11 8 6 14 14 73 34 18 49 42 41 26 9 15 8 10 9 6 8 12 7 2 4 11 6 1 7 14 11 35 57 32 58 46 36 26 22 43 8 27 13 3 10 19 10 4 12 12 7 1 9 22 17 5 51 15 11 7 18 7 6 7 12 16 10 11 12 7 5 4 9 9 2 3 10 7 2 3 7 5 1 3 7 5 1 4 8 5 1 4 8 4 0 4 8 4 0 4 8 3 1 5 7 3 1 5 7 3 1 5 7 3 1 6 6 3 2 6 6 2 2 6 6 2 2 6 6 2 3 7 5 2 3 7 6 1 3 7 5 1 4 7 4 1 4 7 4 0 4 8 4 0 4 7 4 1 4 7 3 1 5 7 3 1 5 7 3 1 5 6 3 2 6 6 3 2 6 6 2 3 6 6 2 3 6 5 2 3 6 6 2 4 7 6 3 4 8 6 3 5 9 6 2 9 15 9 8 26 24 35 24 14 12 10 16 38 24 13 7 10 9 7 3 9 8 24 32 100 81 45 23 21 10 7 5 6 6 3 3 6 5 2 3 6 5 2 3 6 5 2 4 7 5 2 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 1 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 3 5 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 1 4 7 4 1; 1HNMR: 74 72 m 5H | 42 41 p 1H J 54 | 39 39 dt 2H J 9 52 | 37 36 dt 2H J 43 58 | 34 33 t 1H J 57 | 30 29 dt 2H J 42 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(C2(N)CC2)cc1
ir: 3 3 4 3 3 4 5 3 4 4 4 6 3 3 4 3 3 3 3 4 4 3 4 4 7 0 35 6 55 9 5 3 6 5 8 1 5 21 13 9 7 10 7 3 7 6 6 7 4 5 9 11 8 6 27 100 90 64 51 18 17 10 9 3 6 9 6 4 6 34 6 14 35 28 28 4 7 4 5 5 4 4 3 4 10 7 5 6 6 4 4 6 5 6 5 4 4 4 3 4 5 3 2 3 4 3 2 3 4 4 2 4 5 4 2 17 0 34 8 6 11 11 11 33 24 29 9 5 9 6 7 41 78 25 52 36 10 6 4 5 6 3 4 7 7 8 32 29 11 6 16 8 14 7 6 5 4 4 4 5 5 5 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 0 9 2 3 3 3 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 4 3 3 3 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 4 4 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 4 3 3 3 4 3 2 3 4 3 7 9 7 17 3 6 38 40 23 36 27 8 13 11 8 7 8 7 7 8 13 18 29 44 37 37 10 9 14 64 28 42 26 10 7 4 5 10 6 4 4 6 5 4 3 6 4 3 3 5 4 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 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 4; 1HNMR: 76 76 m 2H | 74 74 m 2H | 35 35 s 2H | 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.
Cc1nc(C(N)=O)cn1-c1ccc(Cl)c(Cl)c1
ir: 6 8 5 6 9 2 0 5 6 12 13 18 29 9 12 12 11 13 11 7 5 3 4 4 8 3 5 3 2 1 1 3 4 2 1 2 2 1 3 5 5 2 4 3 2 2 1 2 2 2 2 8 37 33 19 17 3 0 3 3 3 0 2 3 2 1 9 12 13 7 2 4 3 1 3 3 4 4 3 4 2 5 20 18 33 22 19 16 13 5 11 11 10 8 5 4 3 4 3 2 2 1 4 2 2 2 3 2 2 3 5 4 4 4 9 4 4 3 4 6 2 4 3 7 10 10 21 8 14 7 11 4 3 3 3 1 3 22 10 6 13 13 4 2 2 2 3 8 40 8 7 4 14 12 19 28 11 15 4 3 7 2 2 2 1 2 1 2 4 30 10 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 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 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 3 3 4 2 1 2 3 6 3 5 4 4 2 10 11 22 45 42 89 63 100 16 6 4 5 3 1 3 3 2 1 2 3 2 2 13 3 16 1 1 1 1 1 2 1 0 1 6 75 10 2 0 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 81 80 s 1H | 75 75 d 1H J 79 | 75 74 d 1H J 22 | 74 73 dd 1H J 22 81 | 73 72 s 2H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c42)C3=C[C@H]1C
ir: 4 1 1 3 5 3 4 7 16 18 37 11 6 13 15 11 10 3 4 4 2 2 2 5 2 5 2 1 2 1 2 2 1 1 1 1 1 0 1 3 2 0 2 4 3 2 1 1 1 1 2 2 2 4 4 3 2 1 7 3 2 4 5 6 6 5 7 5 5 4 3 5 5 3 3 4 4 3 28 19 14 2 2 3 2 1 1 1 4 5 9 9 9 5 6 3 4 5 8 2 2 2 2 4 2 3 9 2 1 1 1 1 1 1 2 1 1 3 1 1 0 2 2 2 2 2 7 5 3 2 3 2 2 2 2 1 1 1 1 1 1 1 5 8 2 2 1 0 1 1 1 0 1 4 2 1 2 6 1 0 2 1 1 3 2 3 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 2 1 2 1 1 3 3 6 6 17 10 6 5 2 2 1 3 3 48 100 3 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 68 67 d 1H J 77 | 66 66 dt 1H J 8 77 | 62 61 s 1H | 54 53 ddq 1H J 9 20 66 | 52 52 dt 1H J 9 18 | 37 37 ddt 1H J 13 28 56 | 37 37 s 3H | 37 36 s 2H | 33 32 m 1H | 31 30 m 2H | 28 28 m 2H | 24 24 d 3H J 14 | 22 22 dddd 1H J 9 43 70 114 | 20 20 dddd 1H J 9 42 70 114 | 12 12 dd 3H J 9 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)n1-c1ccc(CCC(=O)O)cc1
ir: 2 3 2 2 1 5 2 2 2 2 5 7 7 3 4 2 0 4 6 9 18 100 30 15 6 6 3 2 2 1 1 1 1 1 0 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 11 2 3 7 60 38 11 5 4 7 2 1 2 5 1 2 3 2 2 5 2 1 1 2 2 2 3 4 47 36 1 1 2 3 2 0 5 14 2 1 2 1 1 1 2 2 4 16 8 2 0 1 2 1 0 1 2 4 12 4 2 1 0 1 2 3 4 4 3 8 7 4 4 2 8 13 3 2 1 2 3 3 3 4 16 2 4 2 2 2 4 11 7 88 2 7 3 4 2 11 7 16 15 3 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 3 2 1 4 2 2 1 1 5 10 3 12 24 11 8 14 10 1 2 3 2 2 4 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 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; 1HNMR: 72 72 m 2H | 72 71 dt 2H J 9 79 | 57 56 s 2H | 29 28 tt 2H J 8 87 | 27 26 td 2H J 8 87 | 22 21 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1Cc1ccc(C#N)c(F)c1
ir: 1 1 2 1 1 5 2 4 4 2 3 1 3 1 1 1 1 3 6 3 1 2 3 3 5 5 2 8 5 2 2 4 5 1 6 5 3 5 9 8 3 2 5 3 2 2 4 2 2 4 2 10 7 26 39 22 2 0 2 1 1 0 2 1 2 1 38 100 36 8 8 4 1 2 1 2 1 0 1 1 0 1 1 2 4 1 2 3 3 1 2 2 1 3 8 4 3 3 4 1 2 2 1 1 1 1 1 1 1 1 6 2 2 1 1 5 1 3 3 3 3 1 3 4 4 2 3 2 2 2 1 13 6 1 2 1 2 7 21 4 8 6 1 1 1 1 2 2 14 16 7 2 53 21 6 3 1 1 1 1 2 6 6 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 1 1 1 1 0 1 1 1 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 1 1 2 1 1 3 3 9 4 16 72 31 20 3 4 4 4 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0 0 1 0 0 1 1; 1HNMR: 78 77 d 1H J 84 | 76 76 dd 1H J 48 73 | 74 73 ddd 2H J 26 42 119 | 72 71 m 3H | 70 69 d 1H J 21 | 57 57 d 2H J 9 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1
ir: 2 2 5 2 6 1 1 1 0 2 4 2 2 2 4 1 2 5 6 4 3 3 3 3 5 2 2 3 3 8 4 3 3 1 3 2 1 5 7 14 37 86 16 10 4 13 12 19 10 4 2 1 2 1 2 4 3 5 3 2 1 2 3 2 3 3 5 6 16 14 6 2 1 2 2 2 1 4 1 6 2 3 1 6 5 4 3 2 3 2 1 4 20 8 1 3 3 3 3 3 4 4 4 6 8 2 5 19 4 2 5 4 2 3 2 1 1 2 1 2 1 3 2 4 11 4 2 3 3 2 0 2 2 1 2 38 9 4 3 5 3 3 1 8 15 8 12 27 6 3 4 4 42 13 3 5 44 25 4 3 2 9 16 12 12 1 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 2 1 1 3 2 1 1 1 4 2 2 13 6 17 100 57 3 1 6 1 2 1 1 1 1 1 1 1 2 1 2 2 2 2 1 3 7 11 27 23 14 9 2 3 2 1 0 1 0 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 80 m 3H | 76 75 m 3H | 74 73 ddd 1H J 12 22 80 | 73 72 t 1H J 22 | 72 72 t 1H J 79 | 69 69 ddd 1H J 12 21 77 | 38 38 s 2H | 38 37 td 4H J 27 48 | 36 35 dd 4H J 45 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-c2c(F)ccc(OS(=O)(=O)C(F)(F)F)c2F)n1
ir: 10 19 2 3 19 10 1 5 13 13 3 2 6 4 5 1 2 3 1 2 1 2 1 4 1 2 1 6 5 1 0 1 1 1 3 1 1 1 1 0 3 0 2 1 2 2 1 100 15 23 4 1 2 3 8 28 20 7 1 1 1 1 3 1 2 2 1 2 2 11 39 3 3 2 1 1 3 3 2 15 3 2 2 1 11 58 43 7 18 1 1 1 1 1 1 1 2 30 6 2 1 1 1 1 1 1 3 2 1 1 1 1 1 4 0 1 33 4 2 2 2 1 0 1 1 4 1 1 1 1 2 3 1 0 0 1 3 3 27 12 4 21 17 8 3 5 5 18 5 1 1 5 1 1 1 2 3 6 2 13 2 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 0 1 1 1 1 1 2 5 1 14 92 25 19 4 0 4 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 1H J 12 76 | 79 78 dtd 1H J 12 20 77 | 78 77 t 1H J 76 | 73 72 m 2H | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1(c2ccccc2)CCN[C@H]2CCCC[C@H]21
ir: 4 4 7 3 3 6 4 2 1 2 1 2 2 4 3 1 2 2 0 21 15 29 4 1 2 2 4 4 6 8 38 15 10 5 2 2 1 6 12 10 62 11 16 18 8 9 4 4 14 13 3 5 4 5 4 6 3 3 3 3 4 4 4 8 18 26 26 9 8 7 15 4 2 4 4 4 10 18 7 19 51 42 16 36 15 9 7 3 2 3 5 14 14 6 5 5 4 4 3 1 1 1 2 2 1 5 15 23 8 7 13 13 8 8 8 11 6 25 98 43 20 4 6 6 9 8 9 14 23 29 13 18 15 11 5 24 23 6 4 1 2 2 3 4 18 39 10 1 1 2 1 0 1 9 6 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 3 2 3 6 7 2 1 5 5 5 2 14 16 35 74 19 4 4 6 4 3 6 18 8 3 5 2 1 3 2 3 4 10 36 100 12 4 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2H | 71 70 tt 1H J 14 64 | 36 36 dt 1H J 38 64 | 35 35 s 1H | 32 31 dddd 1H J 19 39 48 66 | 31 30 ddt 1H J 35 60 134 | 29 28 ddt 1H J 37 62 136 | 22 21 ddd 1H J 35 62 146 | 20 19 ddd 1H J 34 60 145 | 19 17 m 3H | 17 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(-n2cccn2)nc1Cl)N1Cc2cccn2Cc2ccccc21
ir: 3 2 1 1 4 4 5 1 36 12 3 2 2 1 1 1 1 1 0 1 3 1 1 1 1 1 6 2 1 1 2 3 3 1 1 6 38 13 11 64 33 29 48 44 11 12 4 0 1 5 2 2 2 39 56 9 7 3 2 2 1 1 1 1 1 1 1 1 2 5 2 1 4 19 5 2 1 9 2 1 7 1 1 3 7 1 1 1 2 6 8 10 15 20 2 2 2 2 1 1 1 2 2 1 2 1 1 4 1 1 1 1 3 1 1 2 2 1 1 1 4 2 2 9 5 2 7 16 40 6 4 10 3 2 2 2 0 8 9 2 5 10 9 7 23 38 20 37 12 19 9 14 100 28 7 3 2 1 1 4 8 8 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 2 2 1 1 2 2 2 1 3 9 9 30 56 53 34 41 31 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 d 1H J 86 | 81 81 d 1H J 88 | 80 80 d 1H J 39 | 77 76 d 1H J 20 | 73 72 m 3H | 71 70 td 1H J 18 72 | 68 67 ddt 1H J 9 18 49 | 66 65 dd 1H J 16 38 | 64 63 ddt 1H J 9 18 71 | 61 60 dd 1H J 48 71 | 52 51 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)c2sc(NC3CCN(C(C)=O)CC3)nc2N)cc1F
ir: 9 7 6 13 16 4 2 5 8 6 5 6 5 5 5 8 8 8 3 7 8 13 8 17 11 12 8 11 11 4 8 12 32 30 17 10 18 16 17 8 8 18 8 10 20 10 7 11 6 5 6 7 3 12 50 65 18 5 7 8 9 4 4 20 8 7 9 10 18 17 9 7 5 6 4 5 7 5 9 9 5 5 8 4 2 2 6 10 5 9 7 6 3 1 2 2 7 2 4 4 5 13 10 8 10 9 9 7 7 18 15 6 5 2 4 4 7 2 4 7 4 16 15 10 5 22 24 10 2 10 7 6 0 11 34 59 32 8 11 3 4 100 68 45 52 35 20 74 38 13 19 8 5 5 4 5 1 2 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 1 0 0 0 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 2 2 3 5 2 2 2 2 6 5 8 16 16 3 19 20 21 16 14 10 4 2 1 2 1 2 1 2 1 0 2 4 1 1 56 28 9 5 13 49 21 11 10 8 26 25 4 3 4 2 2 2 1 2 1 2 4 2 2 1 1 1 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 s 2H | 77 76 dd 1H J 22 121 | 76 76 dd 1H J 22 95 | 71 70 dd 1H J 47 95 | 62 62 d 1H J 64 | 40 39 dp 1H J 43 62 | 39 39 s 2H | 37 36 ddd 2H J 56 83 128 | 34 33 ddd 2H J 56 83 128 | 22 21 dddd 2H J 43 56 84 128 | 21 21 s 2H | 20 19 dddd 2H J 42 55 82 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc2nnc(CNC(=O)OC(C)(C)C)n2n1
ir: 15 15 14 7 10 5 0 8 19 11 6 10 11 4 2 10 8 4 13 28 11 4 4 12 15 13 29 66 21 39 12 12 14 5 8 14 10 8 12 25 8 4 4 6 5 1 3 7 5 0 3 8 5 3 6 15 8 18 24 40 35 18 11 8 6 2 4 8 4 3 12 33 16 4 6 6 4 2 6 9 3 3 6 10 6 6 7 6 2 2 7 6 4 9 14 7 4 17 22 18 4 5 7 11 9 4 7 4 1 5 12 7 1 11 12 12 4 10 20 12 11 8 11 8 57 31 13 8 12 34 13 12 7 9 21 66 7 8 11 5 7 17 62 79 36 12 7 10 65 90 94 15 17 8 8 2 4 11 9 2 4 7 7 14 8 11 5 1 3 7 4 0 4 7 3 0 4 7 3 1 4 6 3 1 4 6 3 1 4 6 2 1 5 6 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 5 1 3 6 4 1 3 6 4 1 3 6 4 0 3 6 4 0 3 6 4 0 4 6 3 1 4 6 4 1 4 6 3 1 5 6 3 1 5 5 2 2 5 5 2 2 5 5 2 2 6 5 2 3 6 5 2 3 6 5 3 6 7 6 2 4 7 7 4 6 9 15 11 14 16 43 26 15 25 18 30 40 27 11 23 13 8 4 2 6 7 3 2 8 7 3 2 6 6 3 4 26 76 100 32 15 13 4 4 5 5 2 3 6 5 2 3 6 4 2 4 6 4 2 3 5 4 2 4 6 4 1 3 6 3 1 4 6 3 1 4 6 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1; 1HNMR: 79 79 d 1H J 79 | 76 76 dd 1H J 13 79 | 68 68 ddd 1H J 13 102 157 | 66 65 t 1H J 46 | 56 56 dd 1H J 14 157 | 55 54 dd 1H J 13 102 | 48 48 d 2H J 46 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN(CCCC)C1=Cc2ccccc2CC1
ir: 6 8 6 5 6 3 2 9 4 2 2 10 6 12 3 17 4 14 2 2 1 4 14 4 4 3 5 1 2 2 5 1 1 3 5 1 2 5 6 0 7 64 60 25 21 1 5 4 3 1 2 2 2 0 1 2 3 1 3 3 3 0 1 3 7 3 24 14 7 7 10 22 9 14 7 12 4 2 1 2 1 1 3 7 4 3 7 26 15 8 5 3 9 6 4 6 10 3 9 9 12 3 3 4 1 2 3 3 3 7 16 9 8 15 28 9 5 14 7 8 8 7 3 3 3 3 3 8 5 4 3 2 9 9 4 11 29 69 8 4 3 14 14 5 2 1 2 1 3 3 1 2 2 8 14 9 3 1 1 2 1 1 4 48 2 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 5 4 3 3 5 6 5 3 3 5 5 3 8 13 46 36 26 100 33 13 5 3 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 3H J 11 32 | 71 70 dddd 1H J 9 18 33 73 | 55 54 t 1H J 9 | 32 31 t 4H J 67 | 30 29 m 2H | 28 27 m 2H | 15 14 m 4H | 14 13 m 4H | 10 9 t 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(-c2ccc(OCC3CCN(CC4(C(F)(F)F)CCC4)CC3)cc2)cc1
ir: 18 10 2 3 3 6 6 6 6 3 5 9 4 9 9 7 21 3 3 2 2 1 2 0 4 1 1 1 1 1 1 0 0 1 3 3 16 6 2 3 2 2 2 1 3 2 2 1 1 1 3 4 18 20 23 29 16 10 5 3 3 4 3 2 37 14 15 4 3 16 3 1 4 8 6 5 7 4 1 4 8 13 11 26 100 33 8 7 12 9 2 3 13 10 5 6 2 3 8 32 41 9 16 19 17 23 48 11 9 7 2 4 3 1 3 2 4 2 11 7 9 7 14 12 8 5 3 4 3 1 1 1 3 3 3 5 4 2 3 3 0 3 3 5 50 5 2 2 3 4 9 8 11 1 1 2 2 0 0 1 1 0 0 1 5 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 2 11 2 1 1 2 4 2 4 3 1 2 8 5 1 15 57 48 50 33 20 4 3 2 1 2 2 1 1 0 1 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 78 77 m 2H | 76 76 m 2H | 69 69 m 2H | 40 40 d 2H J 51 | 33 32 s 2H | 30 29 m 4H | 29 28 ddd 2H J 51 77 119 | 21 20 tt 1H J 51 60 | 21 20 m 2H | 20 19 dddd 2H J 50 60 77 126 | 18 16 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1=CC2C(=CC(=O)OC(C)(C)C)CC2C1
ir: 5 5 29 19 2 7 10 5 3 25 26 3 2 6 9 7 1 7 7 3 2 5 7 14 85 92 32 6 5 6 3 2 2 3 4 1 4 7 12 2 2 4 3 1 3 7 8 2 2 4 4 2 6 8 5 3 6 6 4 0 6 7 8 14 32 29 12 1 4 5 4 5 4 5 3 2 4 5 6 2 5 7 7 4 17 32 6 3 4 4 2 3 13 20 39 12 21 24 17 3 6 16 3 3 4 3 3 6 45 31 1 5 5 9 10 13 10 22 15 51 68 28 8 8 21 13 15 10 18 26 28 21 7 9 3 4 5 2 1 3 3 1 2 4 4 15 57 61 3 4 3 3 3 5 30 58 10 3 2 5 3 0 2 4 2 0 2 4 2 0 2 4 3 1 2 4 2 0 2 4 2 1 2 4 1 1 2 3 1 0 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 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 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 2 2 3 3 1 1 4 4 2 4 6 6 8 6 10 4 4 12 7 9 8 10 36 29 15 100 53 86 91 21 6 5 5 4 3 2 2 3 3 2 2 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 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; 1HNMR: 57 56 dt 1H J 9 18 | 56 56 dp 1H J 13 51 | 33 33 ttd 1H J 15 24 52 | 27 26 ddd 1H J 8 52 139 | 24 23 m 2H | 22 20 m 5H | 15 15 s 7H | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2nc[nH]c2cc1[N+](=O)[O-]
ir: 16 11 14 6 1 10 12 7 1 8 13 10 1 7 29 70 64 17 10 5 5 13 10 4 2 7 8 3 3 7 7 2 3 8 7 4 5 15 11 7 8 9 6 2 4 8 6 3 16 20 11 1 5 9 5 0 5 9 5 0 5 9 5 1 8 16 12 9 14 18 17 8 10 10 4 4 9 9 4 2 7 8 3 2 7 7 2 3 8 7 9 15 10 8 2 4 19 20 42 20 53 6 2 4 8 6 5 37 57 6 2 5 8 5 1 6 9 7 2 7 9 10 19 7 12 8 6 7 9 5 2 8 25 16 3 7 8 3 2 13 17 13 4 31 26 5 4 7 7 5 7 12 13 9 14 23 11 17 15 8 7 4 5 8 8 2 5 8 5 1 5 9 5 1 5 8 4 1 5 8 4 2 5 8 4 2 6 7 3 2 6 7 3 2 6 7 3 3 6 7 3 3 7 6 2 3 7 6 2 3 7 6 2 4 7 5 2 4 8 5 2 4 8 5 1 4 8 5 1 5 8 4 1 5 8 4 2 5 8 4 2 5 7 4 2 6 7 4 2 6 7 3 3 6 7 3 3 7 6 3 3 7 6 3 4 7 6 2 4 8 9 5 4 8 6 2 5 8 6 2 5 8 9 6 10 11 11 100 24 7 6 4 6 7 5 4 6 7 5 3 6 7 4 3 5 6 4 3 7 7 6 7 16 47 16 5 15 10 4 3 8 6 3 3 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 2 5 7 4 3 6 7 4 3 6 6 3 3 6 6 3 3 6 6 3 4 6 6 3 4 6 5 3 4 7 5 3 4 7 5 2 4 7 5 2 4 7 5 2 5 7; 1HNMR: 82 82 s 1H | 80 80 d 1H J 60 | 78 78 d 1H J 8 | 27 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CN
ir: 1 1 0 1 1 0 1 1 1 1 2 2 1 1 0 1 1 2 1 1 4 10 5 6 5 2 1 0 1 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 1 2 2 4 5 3 2 3 1 3 3 3 1 2 1 2 3 2 2 3 1 1 2 4 3 3 3 2 5 3 4 4 3 4 3 6 6 2 1 1 1 1 1 3 2 2 1 2 5 1 1 1 0 0 7 4 4 1 1 1 1 0 0 0 0 0 0 1 2 8 1 1 1 1 2 2 2 1 1 1 3 2 6 3 3 2 1 4 7 4 5 3 0 1 2 2 1 2 2 4 2 2 1 2 1 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 0 1 1 3 1 2 18 5 1 1 0 1 1 2 4 19 26 5 2 3 5 3 3 2 2 3 3 5 11 100 5 5 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; 1HNMR: 77 77 dp 1H J 9 18 | 77 76 ddt 1H J 13 35 112 | 75 74 dt 1H J 9 23 | 72 72 m 2H | 69 69 d 1H J 83 | 40 40 td 2H J 8 63 | 39 39 s 2H | 36 35 d 2H J 9 | 16 15 t 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC2CCOC2=O)cc1
ir: 1 12 25 20 7 8 11 6 6 36 48 49 69 18 10 7 2 7 10 3 2 10 9 4 18 11 9 8 22 27 17 6 12 11 9 1 2 11 8 0 3 21 39 43 16 15 11 4 7 12 10 4 8 25 12 2 6 11 6 1 8 16 16 2 30 32 18 11 22 16 5 5 14 13 7 9 10 10 5 3 11 36 3 5 27 25 5 6 29 33 4 4 12 56 13 7 22 15 3 7 11 7 1 4 9 6 1 6 10 8 11 13 14 9 1 8 12 12 19 22 12 6 3 10 30 28 5 9 10 4 2 6 9 4 2 7 8 3 3 8 9 7 3 9 21 100 28 25 9 5 4 9 8 4 3 8 6 1 4 8 9 2 4 9 5 0 4 9 5 0 4 9 4 0 5 9 4 0 5 9 4 1 5 8 3 1 6 8 3 1 6 8 3 2 7 7 3 2 7 7 3 3 7 7 2 3 7 6 2 3 8 6 1 3 8 6 1 4 8 5 1 4 8 5 1 4 9 5 0 5 9 4 0 5 8 4 1 5 8 4 1 5 8 3 2 6 7 3 2 6 7 3 2 6 7 3 3 7 7 3 3 7 6 2 3 7 6 2 3 8 6 2 4 8 7 3 6 10 6 6 8 10 9 5 21 11 42 25 14 13 7 3 8 9 5 3 7 8 4 2 6 7 4 2 6 7 3 2 6 7 3 3 6 6 3 3 7 6 2 3 7 6 2 3 7 6 2 4 7 5 2 4 8 5 2 4 8 5 1 4 8 5 1 5 8 4 1 5 8 4 2 5 7 4 2 5 7 4 2 6 7 3 2 6 7 3 3 6 6 3 3 6 6 3 3 7 6 3 3 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 8 5 2 5 8; 1HNMR: 76 76 m 2H | 75 74 m 2H | 54 53 t 1H J 57 | 44 43 ddd 1H J 33 51 110 | 42 42 ddd 1H J 35 53 110 | 26 25 dtd 1H J 33 54 132 | 24 24 d 3H J 8 | 24 23 dtd 1H J 35 55 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(-c2nc(-c3cc(C(=O)O)c(C)[nH]c3=O)cs2)ccn1
ir: 2 13 6 4 6 3 4 2 2 3 6 3 3 16 23 4 1 2 3 2 1 4 6 19 100 21 7 7 3 2 6 29 9 6 4 4 2 3 3 1 2 3 2 0 1 5 6 25 15 37 84 9 3 0 2 2 6 1 1 1 1 2 1 2 4 4 4 20 10 6 11 13 6 9 11 31 15 32 76 11 8 1 3 1 1 2 2 22 2 2 2 6 4 5 11 2 2 1 1 3 1 1 1 2 11 11 1 2 4 9 14 3 4 2 4 2 3 2 4 2 3 2 3 9 8 6 1 2 3 2 7 4 2 1 1 2 3 5 4 10 8 1 2 2 3 6 29 7 22 43 9 2 3 3 2 6 93 4 5 6 28 2 2 4 1 1 3 3 12 2 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 5 2 1 1 0 1 2 2 1 2 2 2 8 14 4 5 16 18 18 2 0 2 2 1 1 2 8 4 1 1 2 1 1 1 1 1 1 2 2 38 22 19 27 3 1 2 2 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 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: 85 85 s 1H | 82 82 d 1H J 44 | 79 79 s 1H | 76 76 dd 1H J 21 45 | 73 73 d 1H J 22 | 43 43 q 2H J 67 | 26 25 s 3H | 14 14 t 4H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(CC#N)cc1
ir: 9 4 3 5 4 6 4 10 9 6 3 18 12 5 4 4 4 1 0 2 4 3 3 9 67 28 4 2 3 1 1 3 3 1 4 4 4 1 1 5 12 2 3 5 10 3 2 4 6 0 5 5 18 19 17 24 11 16 7 22 11 2 3 4 10 2 2 3 2 9 3 3 1 1 2 5 3 1 2 3 1 1 2 2 1 1 2 3 1 2 5 4 5 38 69 6 5 3 7 5 4 9 28 7 1 3 3 2 0 2 4 2 0 5 5 3 2 6 8 10 14 15 5 7 9 8 19 6 4 5 5 3 3 3 3 1 1 3 3 2 2 7 11 49 34 26 19 100 84 15 4 1 5 5 2 1 2 2 2 1 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 2 3 2 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 2 3 3 3 3 5 8 2 4 4 4 3 9 37 18 14 75 82 27 5 7 10 3 1 2 3 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 73 72 dt 2H J 8 70 | 72 71 dp 2H J 9 68 | 37 37 t 2H J 9 | 37 36 s 3H | 36 36 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(N(Cc2ccsc2)C2CCNCC2)cn1
ir: 2 2 2 4 4 1 0 2 5 3 3 3 6 5 4 6 9 10 7 2 1 2 4 5 2 3 14 13 5 6 5 7 10 8 20 17 9 3 2 1 4 13 6 33 36 17 16 16 5 2 6 10 11 5 25 14 22 19 10 9 2 5 3 2 2 1 8 9 6 9 10 9 7 11 21 13 10 6 2 2 2 2 2 1 2 5 2 8 10 5 4 4 4 7 5 11 5 10 7 5 0 1 3 2 3 9 3 2 1 2 3 3 2 5 9 19 28 34 5 5 2 4 7 8 3 5 4 5 33 30 18 12 54 18 21 8 12 9 3 4 3 2 1 1 2 2 3 6 19 38 10 2 10 22 2 1 1 1 1 1 2 9 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 3 3 3 5 8 9 10 10 13 17 60 43 7 0 4 5 3 2 3 4 3 5 5 4 2 4 16 100 89 11 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 d 1H J 16 | 72 71 m 3H | 72 72 s 2H | 70 70 ddt 1H J 9 18 52 | 44 44 t 2H J 9 | 39 38 p 1H J 59 | 37 36 p 1H J 42 | 30 29 dddd 2H J 29 44 57 130 | 28 27 dddd 2H J 28 42 57 134 | 21 20 dtd 2H J 28 58 128 | 18 17 dtd 2H J 27 57 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=S)c1cc(-c2ccccc2)n(C)c1
ir: 1 1 1 1 2 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 25 13 5 4 3 2 24 13 16 3 6 5 2 10 6 19 1 28 4 4 3 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 2 4 3 5 11 14 4 11 5 4 3 9 16 14 13 2 4 8 3 1 1 1 1 1 1 11 11 1 1 1 1 2 2 7 2 0 1 2 1 0 2 5 7 3 8 6 2 2 1 1 2 1 5 16 31 3 10 7 11 7 4 1 3 1 2 2 1 1 3 4 44 26 25 30 11 18 8 2 1 1 3 11 18 7 3 2 6 2 1 2 7 10 4 2 1 1 8 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 0 1 1 0 1 0 2 2 1 1 1 2 1 1 2 2 1 2 3 2 3 17 14 15 36 100 29 24 15 18 10 5 1 2 2 4 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 m 2H | 74 74 d 1H J 18 | 74 73 m 3H | 71 71 d 1H J 16 | 40 40 s 2H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(SC)nc1C(=O)c1cccc(C=O)c1
ir: 2 4 4 1 1 1 1 6 2 2 6 4 0 2 2 1 1 3 1 1 1 0 1 12 2 1 1 2 6 3 8 16 2 6 12 10 100 34 5 5 55 18 21 8 7 16 6 3 11 3 2 1 1 1 2 4 2 7 6 4 5 2 3 1 1 0 1 0 1 2 1 1 3 4 1 1 2 4 11 1 2 2 1 1 1 1 1 2 4 1 1 6 1 1 1 2 9 1 1 1 1 4 11 6 7 1 2 1 0 1 2 2 0 11 70 15 5 4 12 4 2 2 2 2 5 36 9 18 68 4 2 1 1 0 0 1 1 3 39 38 3 14 2 0 2 52 7 4 2 0 5 12 31 2 2 1 5 4 70 9 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 1 1 1 1 1 1 1 1 1 2 2 5 7 1 9 53 6 2 1 2 1 1 1 0 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 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 82 81 t 1H J 22 | 81 81 m 1H | 80 80 ddd 1H J 12 22 75 | 78 77 t 1H J 77 | 43 43 q 2H J 64 | 26 25 s 3H | 14 14 t 4H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C(=O)NC(C)C)cc1S(=O)(=O)NC(C)(C)C
ir: 10 2 5 4 1 2 5 6 8 5 4 5 13 2 2 3 4 5 3 4 3 8 10 3 2 1 2 2 1 2 1 1 1 1 4 10 4 3 6 7 23 56 12 6 15 29 6 6 2 6 8 10 5 9 23 21 3 3 1 0 3 2 3 2 4 13 9 42 22 5 2 0 2 4 4 3 2 2 2 1 1 6 2 3 89 7 29 9 3 3 3 5 10 5 4 4 5 7 4 2 2 1 1 6 1 3 4 3 62 9 1 8 8 7 6 18 45 18 41 24 4 6 16 3 4 3 0 8 7 6 6 4 6 3 3 5 21 5 1 2 1 4 9 83 4 13 50 12 17 5 3 6 7 1 2 2 1 0 1 1 1 1 1 5 1 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 2 5 4 4 16 6 6 11 9 3 2 1 2 2 0 0 1 2 1 0 1 3 1 2 3 5 5 3 34 100 59 23 16 13 4 8 1 1 2 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 22 | 82 81 d 1H J 86 | 79 78 dd 1H J 21 85 | 74 74 d 1H J 77 | 64 64 s 1H | 41 40 dp 1H J 57 79 | 39 38 s 3H | 12 12 d 7H J 57 | 10 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)cc(OCCOC)c1
ir: 7 4 4 6 8 3 8 6 6 21 9 4 3 8 6 3 7 3 8 13 5 8 13 20 5 11 11 4 7 9 6 20 32 17 26 22 53 25 11 13 100 10 8 7 8 6 6 1 3 5 2 3 8 7 12 15 9 3 2 4 3 4 8 6 7 10 63 25 89 50 9 15 11 2 6 1 2 3 3 0 1 1 0 2 2 3 1 0 2 2 1 2 8 17 6 17 8 17 7 4 4 2 1 2 2 1 1 1 3 3 2 3 6 5 5 3 7 6 5 9 9 15 21 35 37 46 11 11 6 7 2 2 2 2 1 2 2 2 1 2 4 34 14 45 24 71 76 75 28 32 7 12 15 11 5 2 1 0 3 13 11 1 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 5 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 0 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 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 2 2 5 4 4 3 2 1 2 3 4 15 11 13 29 70 37 10 5 5 2 1 1 0 1 2 1 1 1 2 2 2 3 6 4 6 5 11 25 72 82 93 9 5 5 2 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1; 1HNMR: 79 78 t 1H J 59 | 77 76 t 1H J 22 | 74 74 dd 1H J 22 84 | 73 73 dt 1H J 9 84 | 73 72 t 1H J 59 | 72 72 t 1H J 22 | 72 71 d 1H J 22 | 70 69 t 1H J 21 | 47 46 dd 2H J 9 58 | 46 45 s 2H | 42 41 m 4H | 39 39 d 2H J 60 | 37 36 t 2H J 50 | 34 34 s 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CN(CC(=O)OCC)C(=O)c1cc(N)cc(N)c1
ir: 13 11 8 4 5 4 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 0 6 1 1 1 1 1 0 1 1 1 1 1 1 2 2 7 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 0 0 1 2 1 1 3 4 6 3 3 2 2 1 1 2 2 1 0 1 19 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 5 1 1 1 1 1 1 0 1 2 3 2 1 1 1 1 2 1 3 5 1 1 2 5 5 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 4 8 3 2 1 2 1 2 1 3 11 24 9 7 2 1 1 1 0 19 5 1 1 1 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 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 2 1 1 1 2 3 2 2 6 2 1 1 1 1 1 0 0 0 1 0 0 1 1 1 0 2 44 2 2 1 1 0 0 1 1 0 0 3 100 6 3 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 68 68 d 2H J 22 | 59 59 t 1H J 21 | 51 51 s 3H | 42 42 q 4H J 66 | 42 41 s 3H | 13 12 t 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(Cc1cccc(Br)c1)CS(=O)(=O)Cc1ccccc1
ir: 2 4 7 18 4 6 8 9 16 17 15 8 7 8 9 6 11 20 17 18 31 47 30 13 10 8 5 6 11 14 14 12 6 7 4 3 7 5 34 16 5 10 11 9 26 1 29 20 3 6 3 0 2 4 2 0 2 3 2 1 2 3 1 1 3 6 6 8 18 40 12 10 4 5 6 9 25 37 100 41 17 10 5 5 9 46 47 6 11 10 8 2 2 4 4 7 13 16 9 9 3 3 3 2 4 3 2 22 19 13 4 7 3 2 2 3 7 7 4 6 7 4 6 5 9 7 5 22 16 11 7 5 4 5 5 9 4 3 5 9 7 9 8 72 49 11 9 7 2 3 2 9 10 4 3 3 3 1 2 4 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 2 1 2 2 2 1 2 2 1 2 1 1 2 2 2 3 14 17 6 2 3 5 6 3 3 25 25 32 77 41 20 6 3 5 3 4 6 4 44 51 1 3 3 1 0 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 97 96 s 1H | 74 73 m 7H | 72 72 m 1H | 72 71 ddq 1H J 8 17 71 | 43 42 m 2H | 34 33 dd 1H J 101 142 | 33 32 tt 1H J 92 101 | 32 31 m 2H | 29 28 ddt 1H J 9 91 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CNc1ncccc1N
ir: 3 12 14 20 14 12 19 12 7 16 12 20 15 19 28 23 14 14 10 15 6 9 8 6 5 5 10 7 6 8 9 29 23 33 11 9 13 0 30 16 20 12 8 5 4 12 5 5 6 10 6 5 4 3 4 4 6 4 4 4 5 12 7 7 4 3 4 4 3 3 5 5 4 3 4 4 5 6 9 8 4 3 4 5 3 3 4 5 7 15 6 3 4 7 4 4 3 4 4 3 3 3 4 3 3 3 4 4 4 5 5 3 2 4 4 3 4 3 4 5 4 5 11 12 16 12 6 5 10 15 11 5 3 5 7 5 9 14 49 14 16 6 4 6 13 22 7 4 11 23 16 53 7 22 10 35 45 17 9 20 10 15 6 4 3 4 3 3 3 3 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 4 3 3 4 4 3 3 4 4 5 4 6 4 4 10 8 11 5 4 6 4 4 4 4 4 3 5 4 4 3 5 10 8 30 19 42 14 14 20 31 50 13 87 9 5 30 100 13 4 6 4 5 4 3 4 4 4 3 4 4 3 3 4 3 3 4 4 3 3 3 3 3 2 3 4 3 3 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 80 80 dd 1H J 21 47 | 72 72 t 1H J 60 | 72 71 dd 1H J 21 80 | 70 70 dd 1H J 47 80 | 69 69 s 2H | 46 45 s 2H | 42 41 d 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C1CC1)N1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nc3cc(Cl)cnc32)C1
ir: 3 5 3 3 4 2 3 10 3 7 3 2 12 2 2 2 2 2 2 5 11 42 57 15 2 5 6 2 4 4 10 2 3 8 4 5 11 28 7 49 9 7 4 2 6 4 5 2 7 6 6 5 5 12 21 53 26 0 4 4 4 1 5 6 7 6 6 27 16 12 3 4 2 4 2 2 2 2 2 2 3 3 2 2 3 8 15 7 9 5 3 4 17 11 18 9 4 3 4 3 2 3 6 15 2 11 21 22 28 12 63 3 8 6 1 4 11 2 1 4 29 9 10 6 4 9 4 11 15 8 16 8 12 41 18 5 5 5 4 18 10 66 5 3 7 31 31 28 64 42 6 8 16 5 21 25 3 2 2 3 3 6 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 4 4 3 6 5 4 3 5 24 17 6 14 11 17 100 35 24 18 7 5 3 4 4 3 3 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 83 83 d 1H J 16 | 80 79 d 1H J 16 | 79 78 m 2H | 78 77 m 2H | 42 42 m 1H | 40 39 ddd 1H J 8 70 172 | 37 37 m 1H | 37 36 dddd 1H J 18 42 60 120 | 35 34 m 2H | 23 22 m 1H | 21 20 m 2H | 19 18 m 1H | 11 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)c(Cl)c1)C(F)(F)F
ir: 17 7 15 6 3 5 4 3 2 7 24 24 18 16 9 14 4 4 2 3 6 8 7 62 47 20 15 7 7 10 6 1 11 11 6 2 4 4 9 7 12 91 100 30 6 0 1 12 9 8 13 4 3 0 1 5 1 0 10 15 10 11 28 13 5 3 6 57 29 15 4 4 6 9 16 13 2 2 3 7 1 3 7 8 28 87 44 10 7 8 2 2 4 2 7 5 11 19 22 7 10 11 18 55 27 8 1 8 13 5 2 2 1 1 0 1 3 3 2 4 4 8 4 1 1 4 26 12 8 26 6 7 7 11 15 8 11 35 2 4 3 29 14 12 4 2 2 2 3 8 6 22 20 32 76 17 11 1 2 3 4 8 2 2 1 15 2 2 2 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 1 1 1 1 1 2 2 3 2 4 4 6 20 31 58 44 20 32 6 4 2 2 2 3 1 1 1 1 1 1 2 2 2 5 5 8 16 21 36 60 100 19 6 5 6 3 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 97 s 1H | 80 80 d 1H J 70 | 80 80 m 1H | 78 78 d 1H J 90 | 78 77 d 1H J 69 | 77 77 s 1H | 74 74 m 2H | 73 73 dd 1H J 22 90 | 73 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(-c3cccnc3F)c2cc1OC
ir: 2 2 1 2 4 4 4 6 3 3 1 2 2 2 2 2 3 3 4 8 12 12 2 3 9 7 3 6 9 3 4 4 4 3 3 11 100 63 12 5 10 7 3 0 2 5 2 0 3 20 37 20 6 1 2 2 2 4 8 4 2 4 10 10 6 3 3 5 5 14 5 3 4 8 4 3 2 2 1 6 11 3 5 22 24 12 5 6 3 2 1 2 2 3 1 3 2 3 53 14 3 2 4 2 2 2 1 2 9 20 1 2 2 2 1 2 2 3 4 2 3 2 3 3 2 3 4 34 7 17 4 2 1 1 2 1 1 4 12 7 8 40 15 8 5 16 9 4 3 1 2 7 3 17 20 31 66 1 83 3 2 3 2 2 2 2 7 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 2 2 1 1 1 2 2 1 1 2 2 1 3 6 7 0 14 77 58 12 3 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 94 94 s 1H | 84 84 ddd 1H J 20 37 51 | 82 81 ddd 1H J 22 38 97 | 76 76 s 1H | 75 74 dd 1H J 52 96 | 72 71 s 1H | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(C)c1NNC(=O)OCCCl
ir: 22 26 42 14 12 17 5 8 6 7 10 5 16 8 6 4 3 7 5 18 24 9 13 21 34 48 37 11 28 46 26 15 13 29 26 33 18 9 25 18 5 2 3 6 5 3 6 3 4 8 5 3 6 4 19 39 7 8 3 4 3 3 7 12 3 7 12 2 4 4 5 4 2 2 2 1 1 1 1 1 5 6 7 4 3 2 2 2 2 3 5 4 1 2 2 2 4 8 2 3 3 6 4 8 7 24 12 17 3 6 1 3 2 3 2 8 6 5 2 3 4 6 5 22 23 32 30 15 23 18 32 11 7 4 3 1 3 15 23 73 67 43 18 13 14 19 8 76 58 65 17 2 2 6 4 5 9 4 3 1 2 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 2 2 3 2 3 3 4 5 3 2 3 2 4 5 15 9 3 5 6 9 14 10 10 4 2 4 5 3 4 2 5 5 1 3 3 2 2 3 5 16 18 26 69 100 41 20 8 9 9 2 1 2 1 2 1 1 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 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 0; 1HNMR: 84 84 d 1H J 57 | 81 81 d 1H J 57 | 69 69 s 1H | 44 44 t 2H J 23 | 38 38 t 2H J 22 | 22 22 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=S)C1(c2ccc3ccccc3n2)CCCS1
ir: 4 2 5 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 5 3 1 0 2 5 4 3 2 2 2 1 2 3 7 30 6 5 6 9 48 36 7 6 5 4 33 66 6 5 3 6 14 4 5 4 3 4 1 2 2 1 2 3 5 3 3 17 6 1 2 2 1 1 1 1 2 4 2 1 2 1 3 6 7 2 2 1 2 1 9 2 2 2 2 4 7 25 6 1 10 5 3 2 4 11 4 3 5 6 5 3 10 8 3 2 2 2 3 1 2 2 3 3 2 2 2 8 25 9 5 2 1 2 1 2 2 6 3 3 3 13 16 4 3 2 4 4 8 32 2 1 2 2 2 1 1 1 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 5 5 3 4 3 3 10 13 18 15 10 100 36 21 5 1 3 4 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 1H J 73 | 81 80 m 1H | 79 79 m 1H | 78 77 m 2H | 76 75 m 1H | 34 33 ddd 1H J 43 61 135 | 33 32 ddd 1H J 42 60 136 | 27 27 s 2H | 25 24 m 2H | 23 22 dtt 1H J 46 64 128 | 22 21 ddd 1H J 48 66 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCBr
ir: 8 4 1 5 8 5 2 6 8 4 3 7 13 13 28 11 7 4 3 6 7 3 2 6 6 3 2 6 6 2 3 6 6 2 3 19 18 4 5 7 8 5 10 13 7 2 6 17 11 1 4 8 5 1 4 8 5 2 7 11 14 13 14 11 7 9 32 33 5 16 10 8 5 2 81 34 5 3 8 7 3 2 7 7 3 3 7 6 3 5 7 7 2 4 9 11 55 19 13 9 2 8 11 25 53 7 7 6 3 7 8 6 2 6 12 7 6 41 26 24 42 18 18 11 4 7 6 6 4 12 9 4 4 11 24 24 4 7 7 4 3 5 6 3 3 6 5 3 4 6 6 3 4 7 5 4 6 67 39 0 3 8 5 1 4 8 5 1 4 8 5 1 4 8 4 2 5 7 4 2 5 7 4 2 5 6 4 2 5 6 3 2 5 6 3 3 6 6 3 3 6 6 3 3 6 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 7 5 2 4 7 4 2 5 7 4 2 4 7 4 2 5 7 4 2 5 6 4 2 5 6 4 3 5 6 3 3 5 6 3 3 6 6 3 3 6 6 3 4 7 6 3 4 8 6 7 5 12 6 4 8 14 10 6 7 12 11 10 18 45 52 100 96 19 8 6 8 7 6 3 6 7 4 3 7 8 4 3 5 6 4 3 5 6 3 3 5 6 3 3 5 5 3 3 6 5 3 3 6 5 3 4 6 5 3 4 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 5 6 4 3 5 6 4 3 5 6 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 4 2 4 6 4 2; 1HNMR: 55 55 tp 1H J 16 33 | 40 40 dh 2H J 10 31 | 17 17 q 6H J 12
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@H]1C[C@@H]1C(=O)c1cc(Cl)c2c(c1)CCCO2
ir: 5 6 30 8 9 4 5 8 4 5 9 10 12 11 4 5 15 13 32 57 100 45 68 23 29 11 11 7 4 3 2 7 4 4 4 3 9 6 7 5 7 4 19 43 20 6 4 3 3 3 2 3 2 2 2 2 2 3 3 3 2 3 10 5 2 16 12 4 12 3 2 0 3 10 7 31 32 39 20 5 26 12 9 7 11 6 15 12 17 10 4 4 3 2 1 2 15 5 6 15 3 3 18 2 3 3 4 4 4 4 10 7 9 10 11 2 1 1 2 1 1 1 1 4 9 4 6 2 8 3 2 3 2 10 4 8 10 45 9 4 9 48 9 15 28 10 7 20 11 5 11 7 6 3 3 2 1 3 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 3 2 1 3 2 2 5 10 23 32 29 14 15 4 4 8 3 2 4 13 54 55 26 5 4 6 2 0 1 2 1 0 2 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 78 78 d 1H J 20 | 77 76 dd 1H J 10 21 | 42 42 m 2H | 31 30 ddd 1H J 67 77 106 | 29 28 m 2H | 21 20 ddd 1H J 66 76 104 | 20 20 dddd 2H J 47 55 73 87 | 20 19 td 1H J 66 78 | 17 16 td 1H J 66 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1C(N)=O
ir: 1 1 2 1 1 1 1 1 3 2 1 2 3 8 1 3 3 4 3 8 3 14 8 3 4 1 2 7 7 1 3 2 12 4 4 1 30 17 3 1 1 0 1 3 3 2 1 0 1 0 1 1 0 0 0 0 0 0 2 1 1 0 0 1 4 1 1 1 1 2 3 2 1 0 1 2 12 5 0 1 1 1 0 1 1 1 2 2 1 1 1 1 1 1 1 0 1 1 0 1 6 1 0 0 0 0 0 1 1 1 2 6 1 1 0 1 1 1 0 1 1 0 1 1 3 3 1 1 0 1 1 2 1 1 1 8 1 0 0 0 0 0 8 1 1 1 0 0 1 5 7 2 1 1 1 3 5 100 16 1 4 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 2 2 1 1 1 1 2 1 1 2 6 4 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 2 24 1 0 0 1 0 1 1 1 0 0 4 16 25 28 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H | 79 78 s 2H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCNC(=O)/C=C\C(=O)O
ir: 1 0 0 0 1 1 4 1 0 1 1 1 3 4 1 0 2 2 1 1 2 3 89 11 2 2 2 1 8 4 10 22 61 5 6 18 4 1 1 2 3 1 1 1 1 1 1 1 1 1 1 0 0 1 2 2 1 1 3 14 49 8 7 2 1 0 1 1 2 0 1 1 1 1 2 0 7 4 1 3 27 0 2 3 1 0 2 2 9 3 2 1 1 2 10 1 0 0 1 1 0 1 1 2 8 3 6 3 5 3 1 1 1 8 2 2 2 2 2 4 4 3 1 2 2 1 2 3 1 3 1 4 0 2 3 2 1 1 2 2 1 2 1 1 1 2 6 7 33 26 10 3 2 2 1 0 0 1 1 0 0 1 0 2 1 1 0 0 0 1 0 0 0 2 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 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 3 5 2 1 1 1 1 1 1 3 5 12 4 7 5 3 1 1 1 0 0 1 3 9 100 28 1 1 1 0 0 0 0 1 0 0 1 1 1 1 3 3 16 16 5 2 2 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 t 1H J 50 | 62 61 m 2H | 32 32 m 2H | 16 15 tt 2H J 56 75 | 13 12 m 19H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F
ir: 35 48 4 7 6 4 10 4 8 15 5 3 0 4 10 88 3 9 16 2 2 12 14 4 5 9 14 16 17 30 80 25 13 10 13 3 5 12 24 28 35 25 8 46 6 11 9 7 4 5 3 1 3 6 25 26 36 7 6 2 26 45 8 3 3 6 1 15 7 5 2 1 3 5 15 2 3 4 3 1 5 43 3 1 4 4 1 4 6 8 7 3 7 4 2 5 13 7 22 6 8 27 58 17 4 4 1 3 15 59 4 3 5 2 1 51 7 11 11 13 6 7 9 3 4 3 8 6 8 6 4 11 12 8 21 32 7 4 4 6 11 33 27 23 9 10 42 18 9 51 7 38 8 10 100 10 8 5 100 3 3 22 45 8 4 0 3 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 4 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 3 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 4 3 4 4 3 1 2 4 3 1 5 7 7 8 35 15 55 69 81 21 5 4 5 6 4 2 3 4 2 0 5 4 2 1 4 6 6 3 18 9 39 27 37 76 18 28 22 6 3 2 3 4 1 2 3 3 1 2 3 2 1 2 4 3 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 94 93 d 1H J 38 | 83 83 d 1H J 19 | 80 79 d 1H J 83 | 78 78 dd 1H J 20 84 | 75 74 m 2H | 71 70 dd 1H J 47 73 | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CC2CSCC1N2C
ir: 15 7 7 4 8 8 29 8 11 18 2 5 4 6 4 4 4 3 3 9 4 4 5 4 6 6 17 6 6 3 3 4 5 3 4 4 3 5 3 3 4 6 4 4 4 4 3 4 4 3 5 5 13 12 5 5 4 4 3 4 3 3 4 4 3 3 6 5 4 14 29 18 6 5 4 7 4 3 4 5 21 7 5 7 0 82 1 4 4 6 5 3 4 4 3 4 6 10 8 7 5 6 3 4 4 4 3 7 14 5 4 4 6 6 5 4 5 5 4 7 5 4 5 4 6 6 7 4 4 3 3 4 4 3 3 4 4 5 16 18 8 5 4 3 3 3 3 3 3 3 3 3 3 3 3 6 100 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 5 5 5 6 4 4 5 4 14 13 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 39 38 ddq 1H J 11 36 63 | 37 37 s 2H | 37 36 ttd 1H J 15 51 64 | 31 31 dd 1H J 49 119 | 30 30 ddd 1H J 10 61 141 | 29 28 ddd 2H J 50 122 174 | 28 27 ddd 1H J 10 61 141 | 26 25 dd 1H J 51 123 | 24 24 t 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1
ir: 1 3 2 8 0 3 5 3 1 3 4 3 5 4 5 2 2 5 10 5 9 10 18 22 4 5 7 9 6 10 5 3 9 12 16 7 5 31 17 9 4 1 2 3 3 2 2 2 2 2 2 2 2 3 3 5 14 13 2 4 4 3 2 3 5 8 10 8 7 10 7 5 4 4 3 2 3 3 25 5 5 4 1 5 4 3 2 3 3 3 2 2 3 3 3 4 8 15 16 3 5 18 57 9 9 11 1 4 7 4 3 39 4 3 3 3 10 7 3 5 5 9 3 7 6 21 5 7 5 4 2 4 6 5 12 5 4 4 7 4 10 21 15 5 4 4 3 4 4 44 49 6 7 5 3 4 15 9 3 5 3 2 5 3 3 4 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 2 4 3 2 2 3 2 3 3 3 3 2 3 4 5 6 10 15 42 100 35 8 10 2 3 6 3 3 50 61 4 4 3 2 4 5 3 3 3 3 4 3 6 9 3 4 58 32 5 5 2 2 4 3 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 84 84 s 1H | 80 80 s 1H | 79 78 m 2H | 77 77 m 2H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC1CCn2c1c(C(=O)c1ccc3ccccc3c1)c1c(Br)cc(F)cc12
ir: 2 2 2 1 2 2 4 4 1 2 7 19 3 2 2 1 1 2 2 13 1 2 3 2 2 1 1 1 2 3 5 1 1 2 6 1 1 1 2 5 4 9 21 30 3 8 7 2 3 8 3 3 2 2 9 4 1 1 3 1 3 8 2 4 9 13 11 18 4 5 5 1 1 2 2 8 3 2 5 4 1 1 1 1 2 4 1 1 1 1 1 1 1 2 3 4 11 6 7 3 2 3 4 14 11 5 2 9 6 3 1 2 3 7 1 4 4 4 1 5 10 6 8 9 9 4 1 1 1 1 2 2 2 6 10 9 47 13 2 3 3 2 12 12 43 3 5 2 3 3 25 19 3 1 15 3 3 1 2 0 1 2 1 2 1 0 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 5 3 4 2 3 2 3 7 17 3 12 100 26 13 4 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 dt 1H J 12 20 | 80 79 m 3H | 79 79 dd 1H J 15 83 | 77 76 ddd 1H J 11 67 79 | 76 75 ddd 1H J 14 69 84 | 75 74 dd 1H J 22 121 | 72 71 dd 1H J 22 121 | 43 42 ddd 1H J 35 53 141 | 42 41 ddd 1H J 35 53 139 | 36 35 s 2H | 33 32 tt 1H J 53 68 | 29 29 dd 1H J 68 158 | 27 26 dd 1H J 68 156 | 24 23 dtd 1H J 35 53 121 | 22 21 dtd 1H J 35 54 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(-c2ccnn2C2CCCCO2)cn1
ir: 8 5 1 2 5 17 1 6 6 3 3 8 10 1 0 1 3 9 7 1 1 4 2 1 1 1 1 3 1 3 3 3 31 4 4 19 63 10 2 3 2 1 1 2 2 1 1 2 12 4 7 17 32 100 21 9 3 3 13 3 1 6 6 2 1 2 1 4 1 9 13 8 2 1 2 20 3 1 2 1 1 1 4 2 10 12 7 3 6 9 2 2 5 10 7 3 11 5 2 2 1 1 1 3 14 2 7 2 0 12 9 12 5 4 4 17 21 5 7 6 4 6 7 11 5 4 5 4 11 15 68 20 5 3 3 2 8 1 1 1 0 1 1 0 0 3 4 8 31 32 4 5 7 2 7 3 2 1 1 1 1 1 2 13 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 3 4 4 2 2 2 1 5 3 46 18 6 7 4 45 10 14 3 3 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 96 96 s 1H | 95 95 d 1H J 19 | 80 80 d 1H J 75 | 79 79 dd 1H J 18 75 | 76 76 d 1H J 37 | 65 64 d 1H J 37 | 59 59 t 1H J 24 | 39 38 ddd 1H J 32 50 104 | 38 37 ddd 1H J 33 49 104 | 24 23 dddd 1H J 26 58 81 142 | 21 19 m 2H | 18 17 ddddd 1H J 48 56 69 81 126 | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cccc2nc(-c3ccc(-c4ccncc4)cc3F)oc12
ir: 0 0 0 0 1 1 1 1 2 2 3 3 5 7 7 11 15 7 4 7 4 3 5 5 2 1 2 1 1 1 1 1 4 8 8 7 5 1 2 4 19 29 10 5 4 1 1 2 1 5 4 0 1 1 5 4 7 0 1 1 1 1 4 2 1 1 3 2 5 5 3 13 11 11 10 2 3 3 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 0 1 1 2 2 2 2 0 0 0 0 0 1 0 1 5 26 10 5 3 1 1 2 4 2 2 6 2 0 5 10 6 2 2 4 6 8 8 3 4 2 2 1 0 0 1 7 15 8 5 24 6 5 7 9 4 3 14 28 11 4 6 5 100 51 65 7 5 2 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 0 2 3 4 13 17 32 38 8 5 1 1 2 1 0 1 1 0 0 1 1 0 0 4 6 1 0 0 0 1 0 1 1 0 0 4 37 67 12 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; 1HNMR: 87 87 m 2H | 80 79 m 2H | 78 77 dd 1H J 15 91 | 76 76 m 2H | 75 75 m 2H | 75 74 dd 1H J 22 121 | 73 73 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
ir: 5 2 2 2 2 2 2 2 2 2 4 3 3 2 2 2 3 2 2 2 4 4 3 5 4 2 2 2 2 2 3 2 5 14 16 3 2 2 2 3 2 2 2 2 2 2 2 2 4 10 2 3 2 1 2 3 2 1 2 3 2 1 2 3 4 1 3 7 34 31 4 1 3 3 5 3 3 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 9 39 3 5 22 45 4 3 1 7 12 2 1 2 3 2 0 5 100 77 9 3 2 2 2 3 7 15 7 8 1 5 3 2 1 2 2 2 2 2 2 2 2 2 2 5 2 5 3 1 1 3 2 3 4 9 2 1 2 3 2 1 2 2 2 8 8 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 2 3 2 1 3 12 10 6 18 47 6 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 95 95 t 1H J 10 | 84 84 s 1H | 78 78 p 1H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C(C)n2ccc(=O)c3c(N)ncnc32)cc(Cl)c(C)c1-c1ccc(C(=O)N(C)C)nc1
ir: 3 1 4 3 3 5 2 3 5 1 1 1 3 2 3 2 3 3 2 2 2 4 3 3 2 1 2 2 2 4 5 9 1 2 4 2 4 2 2 4 11 2 7 6 9 13 4 2 1 2 9 12 9 2 2 4 7 1 1 1 2 2 1 1 1 1 1 1 1 5 2 2 1 1 2 1 1 4 1 1 2 2 1 1 1 1 2 1 0 2 2 1 2 2 1 1 2 4 3 1 1 1 1 4 1 7 2 2 1 1 1 0 1 1 1 1 1 1 2 2 4 2 1 1 1 4 6 6 8 2 3 2 1 2 2 3 2 1 1 1 1 1 1 1 1 4 4 3 2 2 3 11 40 17 5 4 16 16 2 2 1 100 14 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 0 2 4 2 2 3 2 4 9 4 5 2 1 1 1 1 1 0 1 0 0 1 1 2 11 1 1 1 1 0 0 1 1 1 1 0 5 44 5 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; 1HNMR: 88 87 d 1H J 20 | 84 83 s 1H | 80 79 dd 1H J 18 88 | 79 78 d 1H J 82 | 78 78 dd 1H J 19 83 | 73 72 d 1H J 8 | 71 71 s 2H | 67 67 d 1H J 86 | 56 56 m 1H | 40 39 s 3H | 31 31 s 5H | 24 24 s 3H | 16 15 d 4H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)NC2(C1=O)c1cc(Br)ccc1OC1CC(O)CCC12
ir: 8 3 5 5 8 4 1 3 8 25 53 14 0 7 6 2 2 2 4 3 2 2 2 2 4 3 2 2 2 3 5 2 2 6 8 9 14 7 5 43 30 100 8 1 4 4 4 1 2 10 2 0 11 33 8 7 5 3 2 3 5 3 3 2 14 9 13 5 3 2 2 7 5 3 3 7 6 5 3 2 4 5 17 5 11 6 7 14 37 17 8 8 4 4 4 3 4 5 7 9 4 9 2 3 3 2 3 4 4 5 19 8 5 5 2 5 11 17 3 12 13 42 17 5 6 5 4 2 5 8 3 3 4 13 18 7 2 3 2 1 1 4 10 54 5 2 2 3 8 26 12 4 6 4 2 3 3 7 65 15 4 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 3 3 5 5 4 4 5 4 5 5 8 5 3 9 18 14 17 15 16 16 4 2 6 7 43 93 8 1 3 2 2 2 3 2 5 3 3 4 2 9 12 14 26 30 5 1 3 3 3 3 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 93 93 s 1H | 75 75 d 1H J 21 | 75 74 dd 1H J 22 84 | 69 68 d 1H J 83 | 48 47 dt 1H J 55 66 | 39 38 tq 1H J 47 58 | 32 32 s 2H | 32 31 q 1H J 63 | 28 28 d 1H J 48 | 23 22 dt 1H J 56 139 | 21 19 m 2H | 18 17 dddd 1H J 47 62 88 134 | 17 16 ddt 1H J 62 88 141 | 16 15 dddd 1H J 48 62 87 133
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1ccc(C#Cc2ccc(F)cc2)cc1
ir: 6 10 13 4 5 5 4 4 6 24 11 5 8 8 7 7 3 4 5 4 4 4 5 4 4 5 4 4 6 5 5 5 4 4 3 2 4 4 5 8 16 11 19 22 5 5 7 5 10 12 3 3 4 4 4 9 13 6 5 6 3 7 7 8 10 12 5 4 4 7 4 4 3 5 6 8 8 19 29 17 39 16 24 19 26 9 51 13 15 8 2 6 5 3 3 4 4 3 3 4 3 8 4 3 3 3 3 3 3 4 4 12 5 4 5 6 6 50 35 19 8 5 3 5 3 3 4 3 2 3 5 4 1 4 9 2 49 15 4 7 5 2 3 37 37 4 13 2 5 15 10 13 7 3 3 3 3 2 2 3 3 2 3 4 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 3 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 3 2 2 2 2 2 3 3 3 3 3 2 3 3 4 3 3 4 4 11 36 16 22 5 4 7 4 2 3 5 2 1 3 6 2 0 5 10 4 100 98 2 8 9 20 62 71 17 3 4 6 6 3 3 4 3 2 3 4 3 2 2 4 3 2 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 92 92 s 1H | 82 82 m 1H | 82 81 m 1H | 79 79 m 2H | 77 76 m 2H | 76 76 m 2H | 75 74 m 2H | 69 68 m 2H | 64 64 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSSc1ccc(C(O)C(F)(F)F)cc1
ir: 7 10 5 3 4 5 3 2 0 2 3 3 2 6 13 10 6 6 4 0 1 1 1 1 0 1 1 0 1 1 1 2 6 5 4 3 1 4 8 8 16 3 2 0 1 2 3 1 9 17 3 7 7 22 36 26 14 2 4 2 1 2 1 1 1 1 1 1 5 17 3 3 2 1 3 1 2 1 2 2 10 11 4 11 9 32 100 28 53 24 9 28 22 3 3 3 3 11 29 12 12 15 18 13 3 1 1 2 2 4 4 4 9 3 4 5 3 7 5 2 8 4 2 2 3 1 2 3 3 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 7 11 24 5 2 1 2 4 4 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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 3 4 5 3 7 6 9 19 3 10 41 20 6 5 5 4 4 13 29 24 12 4 4 2 2 1 2 1 2 2 3 2 1 2 1 1 1 1 2 2 1 1 0 1 1 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 0 0 0 0 0 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 m 2H | 74 73 m 2H | 53 51 m 1H | 42 41 m 1H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1(C(=O)OCC)CC(=O)C1
ir: 19 11 6 14 15 28 4 17 35 29 33 44 95 100 51 20 16 11 9 7 7 3 2 7 6 3 2 6 7 2 5 22 9 2 3 7 5 1 2 6 4 2 3 14 8 3 3 7 4 3 4 8 5 0 4 6 5 0 3 6 6 6 5 7 5 2 7 8 10 10 13 11 12 7 10 7 4 2 5 6 2 2 5 5 2 3 5 9 16 14 68 26 3 7 13 7 25 8 7 5 2 3 7 4 1 5 8 15 50 32 13 13 12 12 31 19 9 11 10 10 2 4 6 3 2 5 6 4 3 11 8 4 3 4 6 6 16 10 35 28 18 18 20 15 41 30 25 73 15 8 5 2 3 6 4 1 2 5 4 1 2 5 3 1 3 5 3 0 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 2 2 5 5 4 4 9 4 2 5 7 10 21 6 6 5 8 8 21 31 18 38 28 6 2 4 6 3 1 3 5 2 1 4 4 2 1 4 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 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 42 41 q 4H J 60 | 34 34 s 3H | 13 12 t 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NCC1CCN(c2ccc(NC(=O)Nc3ccc(OC4CCCC4)cc3)cc2)C1
ir: 6 4 1 2 2 2 2 3 3 1 1 3 7 5 3 2 3 1 1 2 3 1 3 3 17 18 26 6 8 3 0 3 2 1 1 1 1 2 1 2 3 4 16 7 4 3 2 3 2 2 3 5 3 2 3 37 16 3 7 5 2 4 5 5 2 3 1 2 1 6 6 4 2 2 3 6 3 0 1 1 0 0 1 1 0 1 2 2 0 1 3 4 4 5 3 4 3 2 3 2 1 1 4 4 83 8 2 2 1 4 2 3 1 3 6 2 1 2 3 2 2 5 4 2 2 5 2 2 3 3 2 1 1 1 1 1 0 1 2 1 1 1 4 3 7 20 12 2 4 15 11 1 7 18 100 10 2 0 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 1 1 2 1 0 1 3 2 1 1 2 1 1 3 2 7 5 19 22 9 5 3 2 2 1 2 2 1 0 1 2 1 0 2 1 1 0 1 2 2 3 10 39 24 15 4 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 87 87 s 1H | 85 84 s 1H | 76 76 m 2H | 76 75 m 2H | 69 68 m 4H | 48 48 t 1H J 68 | 47 46 p 1H J 37 | 41 41 q 2H J 63 | 38 37 ddd 1H J 7 35 123 | 36 35 m 1H | 35 34 ddd 1H J 52 70 122 | 34 33 m 2H | 31 30 ddd 1H J 41 69 128 | 22 21 ddd 1H J 36 42 78 | 20 18 m 5H | 18 16 m 5H | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc2cc[nH]c2cc1N
ir: 14 14 20 15 22 16 16 7 5 4 4 7 10 8 6 8 7 4 6 7 24 27 61 9 2 3 3 2 1 2 2 3 3 2 3 2 6 7 5 4 6 4 2 3 2 4 2 2 2 3 2 2 2 2 2 2 2 2 2 1 2 3 2 3 3 7 13 8 7 2 2 2 2 2 3 2 2 3 2 4 11 11 5 2 2 1 3 2 2 2 2 2 3 2 2 1 2 2 1 2 2 6 5 5 4 5 2 2 1 2 3 2 2 2 2 2 3 2 5 2 4 3 3 2 2 2 2 2 1 2 2 2 2 3 2 2 3 3 9 8 10 10 11 5 14 10 2 3 3 4 4 2 2 4 12 6 15 22 45 19 5 0 2 6 3 6 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 2 2 2 2 2 2 1 2 2 3 3 4 6 5 15 4 18 8 8 9 6 2 2 2 1 1 1 1 2 1 2 2 2 3 24 18 9 4 2 6 15 8 10 15 2 9 100 96 8 4 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 3 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; 1HNMR: 90 90 d 1H J 68 | 78 77 dd 1H J 33 67 | 77 77 d 1H J 24 | 67 67 s 1H | 64 63 dd 1H J 21 33 | 45 45 s 2H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCc1cc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)c(Cl)cn1
ir: 10 7 23 10 35 16 12 15 19 15 4 9 46 25 11 18 10 13 7 33 34 43 67 33 14 13 30 10 7 6 4 6 9 5 4 7 12 15 5 12 4 5 6 7 5 3 4 7 4 3 6 8 5 2 52 0 5 13 5 5 6 12 9 5 7 10 7 11 9 61 26 10 9 7 10 9 14 15 35 63 12 17 31 21 17 16 14 14 14 11 9 7 40 11 21 8 15 10 18 7 4 4 5 5 4 4 7 6 3 4 5 6 5 8 13 6 10 8 9 8 9 7 9 15 6 10 5 9 4 5 7 9 6 4 7 12 29 6 6 6 9 28 31 95 27 59 25 5 11 32 6 3 11 15 5 3 3 5 4 4 58 10 5 3 4 3 3 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 3 3 5 4 4 5 7 5 4 5 6 8 7 6 7 14 19 61 75 33 40 14 8 8 3 5 10 35 100 8 6 4 5 4 4 3 4 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 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 3 3 3 3 3 3 3; 1HNMR: 84 84 s 1H | 78 78 m 2H | 76 76 m 2H | 74 74 dddd 1H J 6 22 30 120 | 73 72 ddd 1H J 47 89 101 | 72 72 q 1H J 10 | 72 71 dddd 1H J 22 36 88 101 | 60 59 m 1H | 31 30 m 2H | 28 27 t 2H J 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NNc1nc2ccccc2n2cccc12)c1ccc2[nH]ccc2c1
ir: 3 4 13 5 8 6 5 2 2 3 2 3 5 4 5 2 7 4 8 9 7 25 9 5 13 13 12 7 10 4 8 7 5 11 9 3 4 13 7 4 10 31 100 77 45 20 9 10 9 0 2 3 3 5 4 3 2 0 2 3 2 0 1 1 1 1 1 2 2 3 0 10 1 1 6 6 3 3 2 5 1 2 2 2 2 2 2 3 2 3 5 1 1 6 1 1 1 2 2 2 2 2 35 9 0 1 2 3 2 1 2 1 3 1 2 4 1 3 7 14 3 15 4 3 2 4 4 11 14 15 12 9 6 9 4 2 2 26 65 13 5 7 6 16 3 45 25 29 9 8 9 15 5 2 7 5 11 10 2 1 3 2 3 3 17 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 4 14 18 30 15 19 44 9 3 2 2 1 1 1 2 2 1 2 2 2 3 4 3 5 7 12 62 43 63 11 10 6 3 3 3 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 90 90 d 1H J 68 | 84 84 t 1H J 19 | 83 82 d 1H J 57 | 82 81 dd 1H J 18 49 | 81 80 dd 1H J 13 74 | 80 80 dd 1H J 14 57 | 79 78 dd 1H J 15 75 | 76 76 ddd 1H J 12 58 70 | 75 75 m 2H | 74 74 d 1H J 77 | 72 72 dd 1H J 31 66 | 70 70 dd 1H J 49 62 | 67 67 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)CCNC(=O)/C=C/c1ccccc1Sc1ccc(Cl)cc1
ir: 2 7 6 4 5 6 13 14 8 11 7 8 6 2 1 3 6 1 3 2 4 9 38 13 4 2 1 2 2 1 3 1 7 39 15 10 3 11 40 14 3 15 94 44 4 3 2 2 4 2 2 1 3 2 52 14 3 1 3 3 3 3 2 2 3 2 3 8 16 12 10 6 3 1 4 6 4 5 7 6 12 37 15 4 7 14 32 49 100 34 18 7 26 12 3 3 3 2 2 3 3 3 5 2 4 6 4 2 3 2 2 2 1 7 14 8 2 2 4 3 4 15 5 8 4 3 6 8 17 8 7 5 4 8 8 4 34 12 1 2 3 5 13 3 4 71 76 75 22 4 4 9 9 1 3 2 3 2 1 1 1 0 1 2 1 5 4 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 2 3 3 3 3 4 3 2 2 3 3 6 13 38 38 74 86 32 14 10 9 4 3 11 59 14 3 3 1 3 1 1 2 2 2 3 2 6 5 73 16 18 7 3 3 3 1 2 2 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 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 m 1H | 77 76 m 1H | 75 73 m 7H | 65 64 d 1H J 161 | 57 57 t 1H J 53 | 39 38 hd 1H J 49 63 | 34 33 m 1H | 33 32 m 1H | 29 29 d 1H J 49 | 18 17 dq 1H J 61 141 | 16 15 dq 1H J 61 139 | 12 12 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)COc1ccc(O)c(C(N)=O)c1
ir: 2 2 1 1 1 1 2 1 2 4 4 12 12 7 3 7 17 10 6 14 9 5 14 9 3 11 3 2 3 4 4 16 24 27 16 6 3 1 3 4 3 1 27 100 28 7 4 2 1 1 1 1 2 16 22 7 3 2 2 2 1 1 1 1 1 1 9 9 6 4 4 1 2 9 4 2 1 0 1 1 3 5 1 2 1 1 2 3 2 21 23 15 6 3 2 2 2 2 1 1 2 3 3 10 11 7 2 5 2 1 1 0 1 3 12 10 6 2 6 4 4 5 4 3 2 3 5 7 5 1 2 1 0 1 1 1 1 1 1 3 5 10 26 8 4 2 24 38 6 2 13 4 2 2 3 4 1 2 25 5 2 1 1 2 1 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 2 1 2 4 7 4 11 20 18 12 16 29 55 10 3 2 1 2 1 1 1 1 0 1 3 8 0 0 0 0 1 1 0 0 1 1 2 26 52 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 s 2H | 74 73 d 1H J 26 | 70 69 d 1H J 94 | 68 68 dd 1H J 27 94 | 48 48 s 2H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)OCc1snnc1C
ir: 59 82 65 29 28 26 11 22 37 26 14 20 16 13 14 10 11 4 7 19 4 1 3 2 5 2 10 9 2 2 4 3 6 6 4 5 6 4 1 2 2 1 3 2 3 3 3 6 3 4 2 3 1 2 4 9 3 2 4 4 4 2 18 6 5 4 6 13 20 10 17 10 5 7 8 20 14 3 1 3 2 1 1 1 1 1 1 1 5 5 1 3 5 9 3 3 2 2 1 1 1 1 2 1 3 4 1 7 8 8 22 100 68 33 86 87 11 23 25 6 7 7 11 6 1 11 20 11 11 9 10 2 1 1 3 1 2 4 22 42 10 5 19 12 18 40 82 75 12 5 2 4 1 1 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 2 5 3 19 8 3 6 7 10 9 8 4 3 6 6 12 46 35 25 9 2 5 4 2 3 2 2 2 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 2H | 42 42 q 2H J 65 | 26 25 s 3H | 13 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)N1CCc2ccc3c(c2CC1)C(O)(c1cccnc1)C(F)(F)C3
ir: 4 4 5 4 5 4 3 6 5 3 3 3 4 3 7 3 3 2 3 2 2 2 2 2 2 2 2 2 3 2 2 3 5 5 11 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 5 13 3 3 3 5 3 3 3 2 7 5 3 2 3 3 3 3 9 3 2 2 3 2 4 2 3 3 8 5 4 3 2 3 7 48 8 3 9 3 3 3 3 2 5 3 2 3 3 3 3 3 3 4 2 2 2 2 2 5 3 16 7 6 3 4 3 4 4 9 2 4 4 3 6 6 4 2 2 2 3 2 2 4 2 3 3 4 6 3 3 2 2 2 2 2 3 2 5 10 3 3 5 2 2 2 2 5 9 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 2 5 4 7 4 3 3 4 2 3 4 9 3 7 15 13 3 3 5 2 0 10 100 19 7 2 0 3 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 85 85 t 1H J 16 | 85 85 ddd 1H J 15 22 37 | 77 76 dt 1H J 19 66 | 73 73 dd 1H J 37 67 | 70 70 s 2H | 44 44 t 1H J 35 | 41 40 q 2H J 65 | 37 36 t 2H J 63 | 36 36 t 2H J 66 | 35 34 m 1H | 33 32 m 1H | 31 30 dt 1H J 63 154 | 30 29 dt 3H J 64 247 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)n(Cc3ccccc3)c2c1
ir: 4 3 2 6 11 7 5 3 6 3 6 2 3 4 9 13 7 3 4 5 10 4 46 24 7 3 14 6 4 4 8 59 4 4 2 9 15 6 6 5 21 6 26 11 3 1 2 4 6 2 2 5 17 17 7 25 22 7 3 2 2 2 6 4 5 2 5 12 11 14 3 3 3 2 4 24 4 8 82 15 4 4 15 11 4 2 2 3 2 10 5 3 4 2 2 2 3 4 6 2 2 2 11 10 2 2 2 2 1 2 2 7 9 4 6 5 12 21 4 6 5 7 6 5 7 8 3 2 2 5 13 6 4 3 5 33 4 3 3 3 6 17 12 32 7 12 33 12 9 9 3 5 4 7 19 3 3 4 35 5 2 2 2 2 4 2 2 2 1 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 2 3 3 2 4 3 2 3 3 3 6 18 9 9 66 100 9 5 2 5 4 3 0 20 19 4 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 87 86 dd 1H J 17 40 | 81 81 m 1H | 79 78 dd 1H J 14 67 | 78 77 d 1H J 79 | 77 76 m 2H | 73 72 m 3H | 73 73 s 3H | 58 58 s 2H | 29 28 qdd 1H J 16 35 54 | 20 19 m 2H | 17 16 m 4H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(C(=O)N(C)CC(=O)N(C)C)nc12
ir: 1 1 2 2 1 2 1 2 2 2 1 3 29 2 4 2 9 3 2 2 26 6 2 3 3 2 5 2 2 2 32 4 6 8 3 3 6 4 6 2 4 17 7 8 17 100 34 11 4 2 4 3 2 2 1 1 1 1 1 1 2 1 1 1 1 1 3 6 4 2 1 1 1 2 5 2 1 2 1 2 2 2 5 2 2 11 3 2 1 1 1 2 3 1 1 3 1 1 1 4 4 11 7 13 3 3 5 3 2 1 2 4 2 2 4 10 4 13 9 5 6 7 3 4 6 3 2 4 2 8 2 2 2 5 7 4 2 1 1 1 1 1 5 2 1 1 2 6 9 3 11 3 2 10 4 0 2 13 11 34 3 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 6 4 2 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 8 15 34 23 10 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 s 1H | 86 85 s 1H | 83 82 d 1H J 18 | 79 79 d 1H J 18 | 71 71 s 1H | 47 47 p 1H J 57 | 41 40 s 2H | 32 31 s 3H | 29 29 s 6H | 13 13 d 7H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(CNCc1ccc(Cl)nc1Cl)c1cccnc1
ir: 3 3 1 9 2 5 4 4 2 5 2 2 5 8 2 2 2 2 1 2 2 1 1 2 2 2 4 4 6 3 4 8 7 15 85 14 3 1 1 7 13 17 11 4 3 2 5 4 11 14 15 19 19 72 14 6 8 0 12 5 27 62 14 5 4 3 3 3 3 6 37 13 7 1 11 4 1 3 10 4 4 8 5 4 2 3 9 30 83 5 2 8 18 3 3 6 4 2 4 2 1 1 2 1 1 3 3 2 1 5 8 12 100 15 16 9 14 12 21 8 7 4 10 4 4 7 35 44 7 3 4 4 61 16 8 32 5 4 2 5 4 3 3 1 5 5 4 3 10 55 7 2 3 20 2 1 3 23 14 9 2 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 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 1 4 5 15 49 14 6 4 3 2 3 2 66 16 1 2 2 2 2 3 3 2 13 18 74 13 3 3 4 1 1 2 2 1 0 2 2 0 1 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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: 86 86 td 1H J 6 18 | 86 85 dt 1H J 18 48 | 79 78 m 1H | 74 74 m 2H | 72 71 d 1H J 80 | 54 53 d 1H J 57 | 50 49 ddd 1H J 45 52 57 | 46 45 p 1H J 64 | 42 40 m 2H | 33 32 ddd 1H J 47 66 135 | 30 30 ddd 1H J 48 66 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)O2
ir: 0 1 1 1 0 1 1 0 0 1 1 1 0 1 2 1 1 2 7 4 1 2 1 2 1 1 1 1 1 1 1 1 2 7 2 2 1 1 1 0 0 1 2 0 0 2 1 1 5 1 1 1 3 5 7 34 19 4 3 1 1 5 6 1 1 2 1 2 7 3 2 1 1 2 1 2 1 1 1 1 1 1 0 1 1 1 4 1 1 2 2 2 1 2 3 1 2 1 1 1 1 5 3 2 3 1 2 1 1 1 1 1 2 4 4 1 3 4 5 4 5 2 4 2 1 3 7 2 7 7 4 5 5 4 1 1 1 1 1 1 1 0 1 1 1 1 9 14 9 1 6 5 1 3 4 7 1 1 1 1 3 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 3 1 1 1 1 1 3 2 1 0 2 3 6 4 12 11 4 100 32 7 4 2 2 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 73 72 m 5H | 72 72 m 2H | 71 71 d 1H J 9 | 69 68 d 1H J 8 | 68 67 d 1H J 8 | 32 31 pd 1H J 10 67 | 29 29 s 2H | 15 14 s 5H | 14 13 m 15H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1ccc2cccnc2c1-c1cc(F)cc(F)c1
ir: 4 3 1 1 5 4 1 2 1 2 4 2 2 1 1 4 3 2 1 1 0 2 2 3 1 1 1 0 0 1 2 4 2 4 9 7 2 1 1 4 16 2 1 1 1 0 1 1 1 1 4 14 10 2 16 4 1 2 9 6 12 1 2 11 7 17 22 88 15 8 5 4 5 2 3 3 2 4 2 1 4 2 1 1 3 5 15 17 33 15 41 40 8 5 6 6 2 3 12 1 2 2 2 3 1 1 3 28 1 1 1 2 2 0 0 3 5 3 5 1 3 2 1 8 12 11 6 4 3 2 1 1 1 1 2 8 14 3 7 2 1 2 2 3 21 3 5 9 1 2 2 1 1 1 8 2 29 2 47 2 15 5 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 3 3 2 3 0 1 2 2 0 1 2 3 1 4 18 16 13 22 100 76 33 6 0 5 7 29 93 10 4 3 1 4 3 1 0 1 2 2 2 4 2 2 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 dd 1H J 16 40 | 82 82 dd 1H J 17 83 | 78 77 d 1H J 90 | 75 74 dd 1H J 39 83 | 73 73 m 1H | 71 71 m 2H | 69 68 tt 1H J 21 121 | 53 52 m 1H | 37 37 d 1H J 49 | 15 15 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.