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1 value
COC(=O)c1ccc(N)c(OC(F)F)c1
ir: 0 5 3 5 4 13 41 24 7 7 8 10 4 4 0 5 6 2 4 2 1 2 2 2 3 2 1 1 1 1 1 1 1 1 0 6 16 15 4 1 2 2 1 2 1 1 1 1 1 2 1 1 1 3 18 32 4 2 1 3 11 3 2 2 2 1 1 2 7 6 2 1 2 15 38 35 11 23 6 1 3 1 0 1 1 1 0 0 1 1 1 0 6 16 4 1 0 6 2 1 0 1 1 19 3 1 1 1 1 0 1 0 2 1 3 14 57 9 6 4 9 5 9 5 5 4 1 3 2 1 0 1 0 0 0 0 0 0 0 0 1 1 1 0 1 22 66 4 1 1 1 3 2 17 31 13 33 32 9 5 1 0 1 8 29 4 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 0 1 0 1 0 2 2 2 2 1 2 2 5 3 3 8 16 11 3 2 2 3 0 1 1 0 0 1 1 1 1 1 2 5 34 81 2 1 1 1 1 0 0 1 1 7 49 100 10 3 1 1 1 1 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dd 1H J 20 84 | 76 75 d 1H J 21 | 68 67 m 1H | 66 66 s 0H | 40 40 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2c(c1)Cc1cc(CNC3CCCCCC3)ccc1-2
ir: 0 2 4 2 2 1 1 1 0 1 2 1 1 1 1 1 1 2 3 1 2 3 1 1 2 2 9 11 8 2 2 1 2 2 6 7 9 12 13 5 45 30 29 100 4 5 5 3 8 3 2 2 4 6 9 9 8 6 3 3 5 12 3 7 2 2 3 5 7 2 10 4 3 12 8 7 3 3 1 1 2 3 6 7 11 3 2 4 7 3 1 1 1 1 1 4 2 4 3 2 5 20 3 1 2 4 3 9 5 8 5 8 14 21 18 17 18 19 21 13 8 4 3 7 10 18 25 11 5 4 7 12 28 24 10 30 24 18 27 5 5 8 4 3 2 1 1 2 3 3 31 3 1 1 2 2 1 2 3 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 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 6 4 4 5 2 2 3 5 3 11 9 17 29 42 29 8 5 3 2 1 3 3 3 2 2 2 2 3 2 3 9 19 49 38 40 17 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 77 77 m 1H | 77 76 d 1H J 86 | 76 75 dd 1H J 14 73 | 74 73 m 2H | 73 72 m 2H | 40 40 d 1H J 20 | 40 40 s 1H | 39 38 dt 2H J 9 54 | 29 29 dt 1H J 54 77 | 27 26 dp 1H J 55 75 | 16 12 m 13H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1CCc1cnc(Nc3cccc(-n4ccnc4)c3)nc1-2
ir: 2 2 2 1 3 2 4 4 1 2 2 1 1 4 5 2 1 3 2 1 1 2 2 3 3 3 4 4 11 9 2 2 8 8 10 3 2 2 3 3 6 6 2 1 3 8 17 30 27 15 3 1 1 1 1 2 2 2 1 0 1 8 3 2 3 4 8 7 4 5 1 1 3 2 1 1 1 1 1 2 2 9 2 2 2 5 1 1 2 5 8 8 6 6 4 12 18 10 3 3 4 4 11 9 4 4 2 9 3 2 5 1 3 5 2 2 3 3 5 3 2 4 1 3 4 3 1 3 2 2 1 6 3 1 1 1 1 7 6 5 7 3 6 5 2 1 2 2 6 1 1 1 1 4 6 2 10 12 7 5 1 1 3 26 1 4 1 1 1 0 1 1 1 0 2 1 1 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 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 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 3 2 2 2 2 2 9 13 8 14 100 31 59 27 7 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 22 19 5 4 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 89 89 s 1H | 84 83 m 2H | 80 80 dd 1H J 17 38 | 79 79 t 1H J 22 | 78 77 dd 1H J 16 38 | 74 73 m 2H | 73 72 m 2H | 71 71 ddd 1H J 13 22 73 | 69 68 dd 1H J 11 81 | 37 37 s 2H | 32 29 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC(F)(F)F)NNc1nncc(NC2CCC(c3ccccc3)CC2)c1Cl
ir: 7 13 5 8 4 6 5 11 6 26 18 15 6 2 6 4 8 11 26 34 4 10 8 5 4 9 3 8 7 11 11 12 5 8 5 6 8 5 4 10 14 41 12 4 5 4 3 2 2 3 2 0 5 2 2 1 1 2 2 1 2 2 2 1 3 2 2 3 2 3 3 1 1 1 2 1 3 3 3 1 4 3 4 1 1 4 1 2 2 8 1 1 1 1 1 1 1 2 2 1 4 7 5 4 7 12 4 4 2 2 7 5 6 2 2 3 5 2 2 3 7 2 3 6 6 4 8 4 14 8 6 22 11 8 5 8 1 3 2 3 3 9 19 3 5 9 18 31 6 0 8 25 4 2 2 6 4 2 1 7 3 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 2 2 3 2 1 2 1 2 1 4 10 6 6 18 6 7 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 8 37 29 52 100 15 3 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 m 2H | 73 73 m 2H | 73 72 m 3H | 68 68 d 1H J 82 | 38 37 dp 1H J 48 82 | 29 28 q 2H J 135 | 28 27 tt 1H J 57 70 | 21 19 m 4H | 17 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1(c2ccccc2)CCC(CNC(=O)Oc2ccccc2)CC1
ir: 10 7 8 6 6 4 2 4 2 1 2 3 5 1 5 2 1 1 1 1 2 2 4 3 5 23 22 28 10 13 5 11 47 13 11 5 3 5 7 9 21 69 23 11 14 2 4 2 2 0 1 1 1 2 1 5 11 6 3 2 1 1 1 2 4 3 2 7 17 19 3 1 3 3 1 2 4 8 7 3 3 2 0 1 1 0 1 2 6 1 1 1 2 1 4 5 3 3 3 3 1 3 7 4 2 5 5 5 7 2 8 3 5 3 6 3 8 5 6 9 6 4 6 3 3 4 2 2 5 17 13 15 9 7 12 38 8 4 3 3 7 8 33 12 39 50 54 12 7 22 7 19 29 9 6 3 1 0 1 9 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 2 3 5 2 3 2 4 6 5 9 24 16 36 100 24 10 10 6 2 2 1 1 1 1 1 1 1 2 2 1 0 1 1 1 2 5 8 33 26 8 3 3 3 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 1H | 75 74 m 2H | 73 72 m 7H | 52 51 t 1H J 63 | 32 31 dd 2H J 40 62 | 23 23 s 5H | 22 21 ddd 2H J 58 83 130 | 21 20 m 3H | 18 17 ddt 2H J 59 86 143 | 16 15 ddt 2H J 58 84 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(CCc2ccc3c(c2)CCOC3=O)CC1
ir: 8 14 21 31 19 12 4 5 9 10 14 9 18 10 5 4 4 3 7 5 4 10 7 3 5 6 6 9 5 41 21 7 4 3 2 3 2 4 7 5 13 100 4 3 5 3 2 2 1 2 2 1 1 2 6 25 9 4 3 2 2 5 6 3 3 4 2 11 4 8 14 2 2 2 3 6 25 3 3 2 0 8 67 42 17 6 3 5 3 7 8 4 6 3 1 2 5 5 1 4 7 14 10 6 14 34 3 2 3 2 1 2 7 14 7 7 14 11 29 18 32 21 49 49 13 4 2 6 8 22 44 19 8 7 6 23 6 9 7 3 2 2 2 2 2 2 2 3 9 5 8 37 24 8 15 5 3 1 1 2 1 2 21 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 3 4 5 3 3 5 4 5 3 3 3 3 3 5 15 41 16 9 65 12 9 4 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 78 77 d 1H J 85 | 71 70 m 2H | 44 44 m 2H | 33 33 m 4H | 30 29 td 2H J 8 50 | 28 28 m 2H | 27 27 td 2H J 8 59 | 27 26 m 4H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCCn1cc(C=O)c2ccccc21
ir: 17 23 5 9 4 3 4 3 1 11 8 6 4 16 11 4 1 18 4 2 3 2 4 1 3 4 17 20 39 56 16 10 4 6 9 1 9 13 4 4 8 18 41 37 7 6 2 6 7 4 4 1 3 4 5 4 2 3 2 1 3 8 8 7 12 17 9 2 7 5 2 1 4 4 10 12 5 3 3 1 2 2 1 2 2 2 1 1 2 2 1 2 4 3 3 4 6 5 7 12 10 6 8 22 36 13 2 4 3 8 9 25 23 6 2 6 10 10 7 7 15 13 17 20 18 60 19 11 6 11 14 8 3 9 8 7 4 3 5 10 3 4 10 35 61 46 21 13 9 100 12 54 36 1 2 6 3 4 8 4 3 2 3 3 2 0 1 3 2 0 2 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 4 6 3 4 10 4 3 2 3 2 3 4 7 8 23 46 20 4 50 28 8 12 13 3 4 2 1 2 3 4 2 3 2 1 1 2 2 1 1 4 10 28 36 81 25 10 3 3 3 1 1 2 2 1 2 2 2 1 1 2 1 1 2 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 82 82 m 1H | 75 75 d 1H J 10 | 75 74 m 1H | 73 73 m 2H | 51 51 t 1H J 41 | 41 40 td 2H J 9 56 | 32 32 td 2H J 42 53 | 20 19 p 2H J 54 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(N2CCC[C@H]2COC(=O)c2ccccc2)CC1
ir: 8 7 8 6 9 18 8 7 8 13 24 11 30 16 7 3 4 4 2 2 1 2 2 2 3 3 3 4 6 25 41 5 10 4 3 3 2 4 2 6 14 29 6 4 2 2 2 2 1 1 1 1 1 2 2 3 2 4 3 3 4 5 3 3 3 4 4 5 8 10 8 4 5 3 3 2 3 3 8 3 6 3 2 3 4 5 6 10 8 7 8 4 3 3 3 4 3 4 5 2 2 2 4 6 5 6 3 5 3 8 5 14 14 4 2 9 39 32 8 6 9 11 19 37 13 7 8 5 6 9 11 4 13 8 12 5 16 5 17 5 3 5 8 6 7 16 36 31 5 5 20 100 1 4 3 0 1 2 1 0 2 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 5 3 7 3 3 2 2 3 8 20 26 14 16 15 39 9 9 4 3 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 m 2H | 76 75 m 1H | 75 74 m 2H | 45 44 dd 1H J 53 106 | 42 42 dd 1H J 51 105 | 37 36 ddd 2H J 57 84 121 | 34 33 ddd 2H J 57 84 121 | 33 32 m 1H | 30 29 p 1H J 57 | 29 27 m 2H | 20 18 m 4H | 18 16 m 2H | 16 15 ddt 2H J 57 84 117 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N1CC[C@H](Oc2ncnc3c2nc(SC)n3C)C1
ir: 8 7 6 7 9 12 19 14 8 7 6 7 7 6 6 7 8 13 9 13 34 19 13 9 8 7 7 9 7 8 10 21 14 9 9 9 7 7 8 10 19 12 7 10 49 38 6 10 12 6 7 9 7 6 7 8 7 7 10 10 7 7 7 9 18 7 7 8 7 6 7 9 9 6 10 8 7 6 7 7 7 24 7 7 6 6 8 14 6 6 7 8 6 7 8 7 6 6 8 12 6 6 10 11 10 18 9 22 31 16 15 10 11 15 15 15 11 15 11 10 6 10 10 17 58 53 23 16 13 11 9 6 6 8 9 22 8 9 9 14 6 8 7 7 6 8 8 55 6 12 7 4 5 11 9 100 81 0 5 9 7 5 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 7 6 6 6 7 6 6 7 7 6 7 7 7 7 8 7 7 8 8 8 9 8 9 11 12 9 10 14 17 22 7 7 7 7 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6; 1HNMR: 85 85 s 1H | 54 53 m 1H | 40 39 ddd 1H J 9 17 117 | 38 38 s 3H | 37 37 m 1H | 37 36 dddd 1H J 17 54 71 127 | 35 34 m 1H | 26 26 s 3H | 24 24 dddd 1H J 30 55 72 128 | 23 23 q 2H J 80 | 22 21 m 1H | 11 11 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cnn2cc(Cl)cc(OCc3ccccc3)c12
ir: 3 2 1 1 1 3 1 2 1 1 2 1 1 1 1 4 3 1 1 1 0 0 1 1 1 2 1 1 2 2 3 3 0 1 2 1 1 2 4 2 9 2 1 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 1 0 1 1 1 3 7 1 1 2 1 1 3 4 1 1 2 1 1 1 0 1 1 1 4 3 5 8 7 6 3 10 2 4 2 1 3 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 4 1 0 0 0 0 0 1 2 2 1 0 0 1 1 1 4 2 0 0 0 0 1 6 4 3 6 2 1 0 0 0 0 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 1 0 1 1 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 3 2 6 7 6 7 2 6 3 5 9 100 30 2 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 13 | 80 80 t 1H J 8 | 74 73 m 4H | 73 73 m 1H | 70 69 d 1H J 13 | 52 51 d 2H J 8 | 49 49 dd 2H J 9 59 | 38 38 t 1H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
ir: 1 3 7 7 5 5 5 4 9 7 14 11 8 2 3 2 1 2 2 4 9 3 2 4 3 2 3 3 7 12 10 24 25 8 14 21 15 8 13 18 21 13 10 11 5 2 3 1 5 3 4 2 1 2 4 2 3 6 7 2 1 2 2 1 1 1 2 3 5 3 2 2 1 4 1 3 3 4 6 4 1 0 1 1 1 2 4 1 2 3 1 1 3 2 1 2 4 2 1 2 2 3 2 5 10 17 5 18 7 1 3 2 0 2 4 4 1 7 24 40 32 32 13 14 6 3 5 8 4 11 6 11 9 6 12 16 13 5 5 10 11 4 4 8 8 4 3 1 2 4 17 100 5 3 2 1 0 2 1 1 0 1 1 3 2 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 2 4 3 4 4 1 1 3 5 3 5 19 18 33 41 15 5 6 4 2 1 1 2 1 2 2 2 1 2 3 3 5 10 37 37 32 14 5 1 1 1 1 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 72 dddd 5H J 15 27 51 80 | 37 36 ddd 2H J 62 90 130 | 34 33 ddd 2H J 63 90 130 | 30 29 m 2H | 20 19 dddd 2H J 42 62 90 130 | 19 19 dd 1H J 71 81 | 19 18 m 1H | 18 17 dddd 2H J 42 62 90 130 | 15 14 m 1H | 15 14 s 9H | 13 12 ddd 1H J 55 71 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccccc2)n(Cc2ccccc2)c2cccc(-c3ccc(OCC(=O)O)cc3)c12
ir: 1 1 1 1 1 3 5 3 7 5 12 6 9 11 5 4 3 5 13 9 13 51 8 11 4 5 4 2 2 5 2 7 2 4 4 4 8 4 9 13 5 3 17 3 3 5 2 14 5 1 1 2 4 5 13 5 28 7 2 1 1 2 1 2 3 6 5 6 6 2 2 1 2 3 2 3 9 15 35 58 23 7 6 7 3 1 3 2 2 2 4 2 2 1 2 1 2 2 5 4 3 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 2 2 3 4 3 3 4 3 4 3 3 4 3 3 3 2 3 11 10 2 3 4 5 5 11 22 31 3 9 12 11 8 3 3 9 10 3 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 2 3 3 16 11 28 100 32 6 8 4 2 0 2 4 18 29 23 8 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 80 dd 1H J 12 72 | 76 76 dd 1H J 12 65 | 75 74 m 2H | 74 73 m 3H | 73 72 m 9H | 70 70 m 2H | 57 57 d 2H J 7 | 47 46 s 2H | 27 27 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Nc2ncn(Cc3cc(F)c(F)c(F)c3)n2)ccc1-n1cnc(C)c1
ir: 8 5 2 7 1 3 3 4 1 5 3 16 16 7 24 33 6 16 6 3 4 5 10 2 2 5 4 2 2 1 1 1 2 1 3 24 53 13 8 15 17 6 20 5 3 12 27 9 2 3 1 2 4 10 33 45 9 6 4 3 4 14 6 3 14 19 28 26 51 27 13 8 6 1 6 5 4 2 3 3 3 5 3 4 2 5 12 15 10 10 16 10 4 22 44 19 17 38 12 23 10 3 7 5 6 11 35 5 39 11 5 3 4 3 5 4 7 12 15 7 4 9 9 13 16 9 7 8 4 3 2 2 4 2 2 1 3 1 1 1 2 8 4 22 7 2 1 5 4 1 7 45 8 4 14 32 12 4 2 4 12 2 2 19 17 1 1 1 1 1 0 1 0 0 1 0 1 1 1 1 0 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 2 3 4 5 2 1 2 2 3 3 6 5 9 12 9 8 10 16 17 71 100 67 90 44 5 4 9 4 3 5 4 1 2 2 2 1 1 1 1 1 3 3 4 7 64 34 9 6 5 6 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H | 81 81 t 1H J 9 | 79 79 d 1H J 16 | 77 76 d 1H J 80 | 75 74 m 1H | 74 73 ddt 2H J 8 31 123 | 73 72 dd 1H J 22 81 | 68 68 d 1H J 22 | 54 54 q 2H J 9 | 39 39 s 2H | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1CC[C@H]2[C@H](CNC(=O)c3ccc(OC)cc3)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C
ir: 1 2 2 2 2 1 1 1 2 2 1 2 2 2 2 1 2 3 3 7 3 5 2 3 1 1 1 1 1 5 7 3 1 1 1 0 2 4 7 16 10 9 4 2 1 1 1 1 1 1 1 1 2 2 5 7 9 2 3 2 2 2 2 1 2 0 2 1 1 1 4 2 5 5 1 0 3 2 2 3 1 2 2 3 7 24 4 13 14 14 19 12 4 1 3 2 2 1 1 1 1 1 2 2 1 1 2 1 1 1 3 1 2 4 3 1 2 2 0 2 3 2 3 1 2 1 2 5 1 1 7 2 3 2 5 4 2 6 5 1 3 4 7 53 6 5 15 8 5 2 5 9 1 2 4 2 2 2 0 0 0 0 1 4 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 1 1 1 2 5 3 3 3 2 2 3 5 3 5 4 2 13 14 10 14 6 5 5 1 8 9 55 100 37 2 3 4 2 1 2 3 2 4 4 4 3 4 5 7 15 8 5 2 2 1 2 2 2 1 2 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; 1HNMR: 78 78 m 2H | 75 74 t 1H J 47 | 70 69 m 2H | 47 47 dt 1H J 9 20 | 46 45 dt 1H J 9 20 | 38 37 m 4H | 36 35 ddd 1H J 51 64 115 | 34 33 dt 1H J 47 125 | 32 31 m 2H | 23 22 m 1H | 22 21 m 1H | 19 18 m 2H | 18 12 m 16H | 10 10 s 2H | 9 9 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1Oc1ccc(F)cc1NC(=O)Nc1nccs1
ir: 5 4 2 3 6 6 5 3 2 2 6 2 2 2 4 5 4 6 2 3 1 6 3 1 4 4 5 5 6 4 5 2 4 5 6 5 6 3 3 4 8 8 28 65 14 9 4 1 2 6 5 14 4 3 7 7 3 3 2 5 4 2 7 2 2 3 9 18 31 2 4 3 1 5 9 6 3 2 1 1 3 5 3 2 6 40 5 7 9 2 1 1 1 1 2 3 11 3 2 8 13 9 1 4 7 13 10 9 1 1 1 1 5 3 1 1 2 2 2 2 2 2 1 3 3 2 3 4 6 21 14 4 3 2 3 4 7 2 10 6 3 4 4 7 6 11 29 8 4 11 21 6 8 47 5 2 2 3 0 0 1 7 8 10 2 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 2 2 1 0 1 1 1 1 1 1 1 2 2 3 4 13 7 19 100 31 39 8 3 4 3 2 1 1 1 1 1 1 1 0 1 1 2 2 4 5 4 5 18 33 17 2 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H | 79 79 m 1H | 76 75 m 3H | 74 73 m 1H | 72 71 m 2H | 70 69 m 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C2=CCCC(C)(C)C23CCC1C3
ir: 1 1 2 1 1 1 2 1 1 1 4 1 2 5 2 3 7 1 1 1 1 1 2 1 0 1 3 4 3 1 1 0 5 1 6 7 6 0 0 1 0 0 0 1 1 3 18 36 7 1 1 7 3 12 6 1 2 4 5 1 11 2 8 7 17 11 12 12 15 15 29 11 6 7 5 1 1 1 1 0 1 1 0 2 4 5 3 1 2 2 3 6 7 6 5 9 4 4 2 2 2 4 1 12 13 7 6 6 8 3 11 13 43 21 21 28 32 24 19 22 17 15 37 15 15 18 13 10 5 18 19 45 44 22 6 3 5 2 4 4 3 2 1 1 1 1 1 0 1 1 1 1 0 1 1 0 8 8 5 1 1 1 1 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 7 12 6 7 15 27 18 31 25 19 12 15 34 64 100 71 34 38 7 8 1 3 2 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 54 54 tt 1H J 9 40 | 20 19 m 2H | 19 18 dqq 1H J 15 41 54 | 18 17 m 3H | 17 16 dddd 1H J 9 45 68 128 | 16 14 m 4H | 12 11 d 3H J 15 | 11 11 d 3H J 14 | 10 10 s 2H | 10 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCc2nc(C)n(C3CCN(C(C)C[C@H](N)c4ccccc4)CC3)c2C1
ir: 1 1 3 2 1 2 3 3 5 7 8 4 3 2 4 2 7 4 7 3 4 6 23 4 3 11 7 2 2 1 2 8 6 2 0 2 2 3 2 4 3 17 8 2 1 1 1 2 2 1 2 1 4 2 3 4 4 4 30 23 10 4 3 18 5 2 4 3 20 13 20 1 4 8 3 9 21 15 4 2 4 2 7 3 12 12 4 3 3 12 16 6 4 1 1 2 3 2 7 6 3 3 1 2 5 5 3 4 4 7 11 3 3 5 3 3 5 7 9 4 6 4 4 11 6 17 9 3 2 8 11 16 16 42 4 27 55 3 6 9 20 16 7 18 25 2 7 6 23 20 3 3 3 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 5 2 2 3 3 3 2 4 4 5 13 26 4 9 27 12 9 3 2 2 3 2 2 2 3 2 8 4 15 22 11 14 8 4 0 7 100 43 6 3 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 0 1 0 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 m 3H | 73 73 s 3H | 46 45 s 2H | 43 42 p 1H J 40 | 40 39 m 1H | 38 38 m 2H | 29 28 ddd 2H J 41 68 112 | 28 26 m 5H | 24 23 d 2H J 60 | 23 22 s 2H | 22 21 m 2H | 21 21 s 2H | 21 19 m 3H | 18 17 ddd 1H J 59 75 141 | 11 11 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(NC(=O)CCc1ccccc1)[PH](=O)O
ir: 9 5 0 5 8 5 1 5 10 4 2 6 8 6 4 16 9 4 3 7 8 4 3 11 10 11 19 19 13 11 35 30 15 4 4 11 11 13 26 23 48 44 12 13 44 15 19 25 30 13 8 14 7 0 7 12 7 1 8 10 5 1 6 10 8 4 6 8 9 3 6 13 11 17 14 11 56 10 12 10 12 4 7 7 2 3 7 6 6 3 7 7 2 7 13 8 4 8 13 15 6 28 27 59 42 10 11 8 3 7 20 9 6 12 10 9 4 16 16 9 12 12 10 7 3 6 8 4 3 11 14 8 6 7 9 14 5 7 6 3 3 10 12 21 18 100 51 18 12 9 8 3 5 8 6 2 4 7 6 2 4 7 5 1 4 8 5 1 4 8 4 1 4 8 4 1 4 7 4 1 5 7 4 2 5 7 3 2 5 7 3 2 5 6 3 2 6 6 3 3 6 6 2 3 6 6 2 3 6 5 2 3 7 5 2 3 7 5 2 4 7 5 1 4 7 4 1 4 8 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 7 3 2 6 7 4 3 6 8 13 3 6 6 3 3 6 6 3 3 6 6 2 4 7 6 3 5 8 6 3 8 8 7 3 5 10 7 3 6 17 20 10 14 31 19 16 42 43 20 5 7 8 4 3 5 7 4 2 6 7 4 3 10 10 13 24 21 16 21 17 14 8 4 4 7 7 3 4 6 5 3 4 6 5 2 4 6 5 2 4 7 5 2 4 7 4 2 4 7 4 2 4 6 4 2 5 6 4 2 5 6 4 2 5 6 3 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; 1HNMR: 74 74 d 1H J 97 | 73 72 m 3H | 72 71 ddt 2H J 8 15 75 | 39 38 m 1H | 29 28 m 2H | 26 25 m 2H | 21 20 m 1H | 11 10 ddd 6H J 15 67 230
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCC1(CCO)c2ccccc2CCc2ccccc21
ir: 3 5 6 3 3 3 4 4 3 3 3 4 2 1 1 0 2 1 1 0 0 1 3 1 2 1 1 0 0 1 1 0 0 1 1 0 0 2 2 1 3 2 43 13 2 8 3 4 3 1 1 2 2 3 2 2 0 1 0 1 2 1 2 4 3 3 2 1 2 0 1 1 1 1 3 2 1 2 2 1 1 1 2 1 2 6 6 19 13 29 11 21 17 7 2 9 3 3 3 4 1 1 2 6 1 1 1 1 1 0 1 1 1 1 1 2 1 2 4 1 2 2 2 1 1 1 1 1 1 0 1 3 1 3 5 4 3 6 9 6 3 3 2 5 1 0 1 1 1 1 10 19 2 6 1 1 9 0 1 1 0 1 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 3 1 1 1 1 2 6 8 3 9 32 34 8 3 5 3 1 100 8 3 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 4H | 72 72 td 2H J 18 69 | 71 70 ddt 2H J 8 18 69 | 38 37 q 2H J 58 | 31 30 m 4H | 28 27 t 2H J 62 | 24 23 s 5H | 22 22 t 1H J 58 | 22 21 dt 4H J 61 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CCC(=O)N1CCOCC1)Cc1ccccc1
ir: 5 7 8 18 5 4 7 3 6 3 2 3 3 20 9 3 7 16 34 12 3 2 2 5 2 5 3 5 4 27 14 18 16 8 3 0 3 6 7 2 90 41 5 6 5 5 7 5 5 2 1 3 5 1 13 4 5 2 2 3 5 11 4 3 4 3 6 4 6 9 6 5 21 21 6 8 11 11 13 2 1 1 1 1 1 1 1 1 3 11 5 2 9 2 6 4 6 9 16 3 6 6 2 4 3 5 4 16 13 12 5 8 16 22 17 21 16 20 14 14 11 7 11 10 10 9 15 8 3 5 3 4 5 3 10 9 8 6 10 10 4 15 21 26 89 7 8 29 19 3 2 4 5 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 3 1 2 5 10 8 7 8 6 3 7 15 6 19 42 21 11 100 13 4 2 4 2 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1; 1HNMR: 73 72 m 1H | 73 72 s 4H | 42 41 m 2H | 36 36 dd 4H J 44 57 | 35 35 dd 4H J 44 57 | 31 30 ddt 1H J 9 84 137 | 29 27 m 2H | 25 24 dt 1H J 88 144 | 24 23 dt 1H J 89 144 | 21 20 dtd 1H J 83 89 136 | 19 18 m 1H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)C(C)(C)CCl)cc1OC
ir: 1 2 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 5 4 2 1 2 2 1 6 2 4 3 3 1 1 1 3 6 9 9 32 17 13 9 3 5 2 1 1 4 4 7 2 1 2 3 2 33 34 11 8 1 1 2 5 20 12 8 32 13 32 14 7 7 10 3 2 3 4 2 1 1 1 1 1 1 0 1 1 2 3 10 4 10 15 12 4 3 2 2 1 1 1 2 3 0 2 2 1 0 0 1 1 3 0 2 1 2 3 21 7 4 11 17 16 20 22 12 16 6 5 7 8 6 7 2 1 1 1 2 3 2 9 19 15 100 10 16 3 2 0 1 6 33 14 6 0 6 2 1 1 0 1 1 0 2 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 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 0 1 3 2 1 0 1 1 2 1 3 1 2 2 7 12 29 7 22 36 24 31 10 3 5 3 1 1 2 1 1 1 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 75 75 dd 1H J 20 82 | 73 73 d 1H J 20 | 70 70 d 1H J 82 | 39 38 d 7H J 86 | 37 37 s 2H | 13 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nccc(C(c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1
ir: 0 1 4 3 1 1 1 1 1 1 2 2 3 1 1 1 0 1 2 1 3 2 2 2 1 2 2 7 1 7 3 4 4 6 20 33 6 3 3 5 2 1 1 2 3 1 1 3 9 5 6 100 8 5 2 1 4 4 4 2 3 3 6 6 7 2 2 1 2 4 5 3 7 5 2 1 4 1 2 2 3 4 1 1 1 1 1 1 4 2 1 2 1 1 0 1 2 4 9 2 2 2 1 1 1 1 1 1 2 3 5 29 31 7 6 3 5 2 2 2 3 3 4 3 3 6 3 3 4 4 2 3 7 10 1 1 2 0 1 12 12 49 3 1 1 1 2 7 13 1 1 2 4 6 3 5 31 6 2 14 7 3 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 5 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 2 1 1 1 2 1 0 2 3 3 2 4 9 6 66 13 4 5 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 dt 2H J 17 48 | 85 84 td 2H J 7 18 | 84 84 d 1H J 38 | 77 77 m 1H | 76 75 m 5H | 73 73 dd 1H J 7 38 | 73 72 dd 2H J 48 80 | 52 51 m 1H | 50 50 m 1H | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1c(N)ccc2c(=O)n(-c3ccc(Cl)cc3)c(C(C)C)nc12
ir: 11 16 6 5 4 3 11 20 13 6 5 5 8 3 4 3 2 1 0 5 9 3 2 2 3 1 1 2 2 1 1 2 1 1 2 1 2 1 3 9 9 4 3 2 5 14 9 2 6 37 88 6 4 3 7 28 9 3 2 2 1 1 1 1 1 1 2 2 5 3 4 6 4 1 10 6 22 9 8 3 6 2 1 3 5 7 6 7 4 1 1 1 1 1 4 1 1 1 1 1 1 1 1 8 10 1 1 1 2 4 14 2 1 3 2 2 2 1 2 2 2 3 3 3 2 3 1 10 7 2 3 1 0 1 1 0 0 1 3 3 4 6 5 5 1 11 4 18 5 3 2 11 70 6 4 66 100 60 32 4 2 34 72 13 2 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 1 1 1 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 1 1 2 1 0 1 1 1 2 1 2 2 2 7 7 8 9 18 29 27 3 3 4 7 5 2 0 1 1 0 1 1 1 1 9 8 14 13 2 1 1 1 1 1 1 1 1 3 48 46 8 1 1 1 1 0 0 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 d 1H J 81 | 75 74 m 2H | 74 73 m 2H | 68 68 d 1H J 81 | 48 48 s 2H | 33 33 s 1H | 28 27 dt 1H J 68 135 | 12 11 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NCC1CCCO1
ir: 5 8 4 2 3 3 3 1 3 5 3 37 25 3 6 5 4 8 4 9 3 3 2 1 2 3 3 1 2 56 38 16 5 7 25 25 15 43 14 28 21 19 58 29 16 6 8 6 18 21 7 15 8 7 5 3 2 2 2 1 3 3 10 6 4 8 8 4 8 6 7 2 2 5 6 5 3 9 16 4 3 2 4 4 4 8 2 3 4 2 1 1 2 2 1 3 5 6 2 25 2 7 11 6 3 2 2 5 16 6 8 19 11 8 13 9 3 4 3 3 4 10 6 3 6 7 5 4 12 15 29 3 2 4 8 20 4 4 5 31 7 5 7 18 34 100 92 34 9 6 75 11 36 10 4 11 4 4 4 41 12 39 6 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 4 4 5 3 3 2 3 3 5 17 38 12 19 32 62 25 11 3 2 3 2 2 2 3 2 2 1 2 3 3 3 2 3 6 6 19 21 31 65 87 14 27 11 7 5 3 4 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; 1HNMR: 79 78 dd 1H J 13 70 | 76 75 dd 1H J 20 75 | 75 74 m 5H | 72 72 td 1H J 13 74 | 71 70 t 1H J 60 | 70 69 td 1H J 21 71 | 41 41 ddd 1H J 26 34 60 | 39 38 s 2H | 38 38 ddd 1H J 33 51 109 | 37 36 ddd 1H J 31 49 108 | 36 35 ddd 1H J 26 59 132 | 33 32 ddd 1H J 26 59 134 | 21 19 m 2H | 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)c1ccc(C(=O)O)cc1Cl
ir: 1 1 1 1 1 5 3 1 3 1 1 2 3 2 2 2 3 5 2 5 4 6 100 10 11 5 10 2 2 2 1 1 1 1 1 2 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 6 2 1 1 1 1 1 1 1 1 1 3 3 10 2 3 3 1 0 2 3 1 3 39 0 2 3 5 1 2 2 2 2 5 2 1 1 2 4 11 1 1 1 1 1 1 2 8 1 1 1 1 1 1 1 1 1 1 1 0 5 20 2 4 2 4 1 2 2 2 2 1 8 3 2 1 1 1 2 23 2 2 2 1 1 1 3 9 9 2 2 2 3 2 2 1 2 9 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 4 5 5 14 7 3 2 1 1 1 1 1 13 30 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 20 | 79 79 dd 1H J 20 86 | 79 78 d 1H J 86 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(C)(C)NC(=O)c1cc(Cl)cnc1Nc1ccccc1
ir: 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 5 3 3 6 2 2 2 4 3 2 3 3 3 2 2 3 2 2 3 4 8 2 4 17 26 100 17 3 3 5 2 0 2 3 2 0 2 3 2 1 2 2 2 1 2 2 5 2 2 2 2 2 3 2 4 2 2 4 2 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 5 2 2 2 1 3 2 2 1 2 2 3 3 3 2 2 2 2 2 2 2 2 4 4 2 2 2 4 2 2 2 2 2 6 3 16 6 21 4 3 2 2 2 3 4 3 8 6 7 3 2 2 4 10 3 23 5 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 4 4 4 10 6 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 3 10 20 16 5 7 5 4 2 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 98 98 s 1H | 82 82 d 1H J 18 | 81 81 d 1H J 16 | 77 76 m 2H | 73 73 m 2H | 71 71 s 1H | 69 68 tt 1H J 12 69 | 23 23 s 1H | 17 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCNc1nc(NCCC)nc(N(C)OC)n1
ir: 2 3 2 3 4 5 5 2 2 1 1 1 2 3 1 1 1 1 2 1 2 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 10 15 9 5 1 1 1 1 1 0 1 1 0 1 0 0 0 0 1 1 1 1 1 1 0 0 1 0 1 1 0 0 1 1 1 1 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 0 0 1 1 1 1 4 5 2 3 3 1 1 1 0 1 1 1 1 2 1 1 2 2 1 1 1 0 0 1 1 0 0 0 1 1 1 2 15 1 0 1 1 2 1 2 4 2 4 100 6 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 5 55 10 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 56 55 t 1H J 33 | 55 54 t 1H J 46 | 42 42 dq 2H J 25 33 | 38 37 s 2H | 37 36 s 2H | 36 35 td 2H J 46 62 | 18 18 t 3H J 25 | 18 17 qt 2H J 62 71 | 10 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC(CNC(=S)C(F)F)CN1c1ccc(C2CCC(O)C(O)C2)c(F)c1
ir: 5 9 16 11 8 11 7 11 11 7 1 3 3 6 1 3 3 3 2 2 3 1 2 3 3 1 3 5 14 9 11 8 14 5 6 4 2 2 2 3 5 3 2 7 4 4 2 3 2 0 3 4 2 3 12 16 2 1 1 2 2 2 2 3 3 2 13 26 10 3 3 4 7 15 9 3 4 4 10 5 3 2 27 4 5 8 16 18 29 27 14 13 10 4 5 4 6 5 3 3 0 2 2 3 5 10 9 14 4 8 5 7 2 2 3 2 2 4 3 3 3 7 9 2 2 5 7 3 2 10 4 7 1 2 2 1 1 2 2 1 1 6 6 14 34 29 30 6 3 4 17 21 6 8 14 1 1 2 1 0 1 3 13 4 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 2 2 2 1 2 3 3 2 2 6 3 3 3 3 4 5 5 8 7 5 11 21 14 6 5 4 4 5 14 100 17 7 4 2 1 1 1 1 1 1 3 3 6 11 30 24 12 14 4 3 2 2 4 3 2 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 97 96 tt 1H J 26 54 | 75 74 dd 1H J 21 121 | 73 72 m 2H | 65 65 s 0H | 56 55 tt 1H J 26 37 | 42 42 dd 1H J 26 129 | 41 41 ddd 1H J 37 56 134 | 40 38 m 3H | 36 36 dtd 1H J 46 54 61 | 35 35 d 1H J 49 | 34 34 d 1H J 46 | 32 31 m 1H | 23 21 m 2H | 20 19 m 2H | 18 17 dddd 1H J 59 66 93 132 | 17 16 dddd 1H J 53 66 92 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1=N[C@@]2(c3cccs3)CN(c3ncc(F)cn3)C[C@H]2CS1)c1ccccc1
ir: 2 1 2 1 1 1 1 2 3 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 4 3 3 2 1 1 2 5 3 3 2 11 16 11 6 15 6 11 1 2 2 1 1 1 2 4 2 2 18 9 4 3 3 1 1 1 2 2 0 1 1 1 0 2 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 2 1 2 2 6 1 1 1 2 1 1 1 1 1 1 1 1 5 1 1 1 2 4 4 2 2 1 2 2 4 2 1 1 1 13 4 7 3 11 5 5 10 1 0 5 10 11 6 100 3 5 3 7 6 6 3 2 6 2 1 3 1 3 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 3 1 1 1 1 1 1 3 5 2 4 30 8 6 12 2 2 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 1 1 3 14 5 5 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 96 95 s 1H | 84 83 d 2H J 139 | 79 78 m 2H | 76 75 m 3H | 74 73 dd 1H J 17 38 | 71 71 dd 1H J 16 57 | 71 70 dd 1H J 38 57 | 46 46 d 1H J 144 | 45 44 dd 1H J 18 145 | 40 39 dd 1H J 32 144 | 39 38 dd 1H J 51 145 | 34 33 dd 1H J 24 132 | 28 27 dd 1H J 49 132 | 25 24 tdt 1H J 20 31 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ccn(-c3ccc(C#N)c(NC4CCC(O)CC4)c3)c2c1
ir: 3 3 3 4 10 15 28 7 14 6 9 3 3 6 3 6 11 3 2 2 6 14 5 3 3 6 10 6 6 14 21 17 5 5 2 3 5 4 4 7 3 5 12 4 2 2 1 2 2 3 2 1 3 24 79 8 11 2 3 1 1 0 3 6 6 9 18 13 17 8 6 2 3 2 4 2 2 5 2 1 2 2 3 3 4 9 17 8 34 13 8 6 5 3 6 5 2 3 4 2 20 6 3 5 9 2 3 2 5 2 3 7 4 5 3 8 2 3 3 4 7 3 7 6 5 3 3 6 9 2 2 12 4 5 8 26 13 2 3 4 1 2 3 6 7 11 85 10 4 12 15 5 6 18 11 37 13 4 1 1 1 0 1 7 13 2 1 1 0 0 0 0 0 0 0 1 0 1 0 1 0 0 51 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 0 1 0 0 1 1 1 1 1 1 1 1 1 4 9 4 5 8 2 3 5 7 3 5 4 13 6 7 16 28 66 26 21 9 16 20 35 74 17 8 8 3 3 4 3 1 3 3 7 4 10 14 100 31 16 14 23 6 11 8 4 4 2 6 3 2 2 2 1 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 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; 1HNMR: 78 78 dd 1H J 11 79 | 77 76 d 1H J 68 | 75 75 d 1H J 49 | 74 73 dd 1H J 22 68 | 71 70 d 1H J 22 | 70 69 d 1H J 22 | 69 69 dd 1H J 21 79 | 68 68 m 1H | 50 49 d 1H J 75 | 38 38 s 2H | 38 37 pd 1H J 46 57 | 37 36 dp 1H J 50 73 | 29 28 d 1H J 46 | 19 18 m 4H | 16 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OCC(C)(C)c2cc(C#N)ccc2O1
ir: 4 6 4 5 1 6 9 12 2 3 3 6 1 16 5 3 1 2 3 3 1 2 2 7 3 2 2 2 1 6 16 3 13 17 3 1 8 6 3 6 4 19 4 0 1 3 2 0 2 8 2 0 2 7 10 13 5 4 2 3 4 4 23 2 7 14 7 37 8 4 8 16 4 3 1 1 2 2 2 4 4 3 1 1 3 3 10 2 2 3 1 1 4 15 4 7 18 29 16 7 11 5 6 11 6 4 3 8 5 4 2 4 3 2 1 2 4 5 12 8 7 6 9 5 5 6 18 18 36 14 18 18 13 4 3 3 2 2 1 3 2 5 4 46 5 1 1 3 4 57 3 4 3 2 8 8 2 1 1 3 2 5 5 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 5 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 0 1 2 2 0 1 3 2 0 1 3 1 0 2 3 1 1 2 3 1 0 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 1 2 5 6 6 3 4 3 1 3 6 3 2 6 7 9 20 46 28 8 100 46 3 4 6 5 2 3 2 3 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 m 3H | 70 70 d 1H J 66 | 38 38 s 2H | 16 16 s 6H | 14 14 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1cccc(-c2ccc(CO)cc2)c1
ir: 0 2 3 2 1 11 2 1 1 2 1 0 1 1 2 1 1 1 1 0 2 1 13 4 3 8 1 1 1 1 1 2 2 3 10 1 3 1 1 1 1 0 1 4 8 3 4 20 7 2 2 5 5 2 5 23 5 7 1 1 1 1 1 2 1 1 1 2 10 11 4 6 5 3 1 1 1 2 2 2 3 3 5 4 20 38 21 9 33 9 2 3 4 2 1 1 1 1 3 6 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 7 4 2 4 5 2 12 5 3 3 2 1 3 2 1 0 1 1 0 7 11 0 6 40 3 1 2 2 1 2 20 7 2 0 2 6 1 2 5 1 1 2 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 2 2 2 5 2 5 8 1 5 5 6 6 34 86 18 9 8 7 3 10 9 100 11 2 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 3 2 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 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: 76 75 m 2H | 75 75 ddd 1H J 13 22 79 | 75 74 m 2H | 74 73 dt 2H J 9 84 | 73 72 ddq 1H J 10 22 77 | 60 59 ddt 1H J 75 97 172 | 52 51 m 1H | 51 50 m 1H | 46 45 dt 2H J 9 57 | 34 33 dtt 2H J 8 16 75 | 28 27 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nccc(-c2cc(NC3CCNCC3)c3cc(OC)ccc3c2)n1
ir: 10 23 4 18 13 17 7 4 4 3 6 7 2 11 8 6 5 5 7 14 4 6 4 3 4 5 3 8 5 10 4 2 1 2 1 1 1 7 1 1 1 2 11 2 2 3 1 1 4 5 8 0 19 74 46 9 9 0 3 4 3 1 2 4 5 14 10 21 27 12 3 3 3 4 5 3 10 8 3 1 2 1 1 1 1 3 2 1 1 1 1 1 1 2 4 2 2 8 2 1 1 1 1 1 1 1 2 5 10 8 3 2 6 10 21 14 20 10 4 5 3 2 4 4 6 5 6 5 9 11 1 2 2 2 5 7 8 13 13 8 6 4 8 16 41 7 5 8 11 60 6 5 3 1 5 100 12 9 3 4 3 1 1 2 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 4 8 15 27 14 11 4 1 1 2 1 1 1 2 1 0 2 3 1 2 6 10 87 46 9 7 16 19 30 22 15 4 2 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0; 1HNMR: 84 83 d 1H J 48 | 81 80 t 1H J 21 | 78 77 dd 1H J 21 85 | 73 73 m 2H | 72 72 d 1H J 29 | 70 70 dd 1H J 27 86 | 60 59 q 1H J 47 | 50 49 d 1H J 73 | 39 38 m 4H | 37 36 p 1H J 42 | 30 29 m 5H | 29 28 dddd 2H J 22 41 49 141 | 20 19 dtd 2H J 23 49 137 | 17 17 dtd 2H J 23 49 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cc(S(C)(=O)=O)cc(S(=O)(=O)NC2CCCCc3c(OCC(=O)O)cccc32)c1
ir: 12 18 7 10 4 4 4 4 4 6 9 27 12 6 6 4 4 8 8 3 4 4 5 4 3 3 5 5 5 4 4 8 51 14 6 5 48 8 9 16 14 6 15 23 23 15 13 22 17 27 7 18 6 6 7 8 22 15 10 4 4 4 5 4 17 20 50 63 7 7 8 6 5 2 4 7 4 4 8 9 8 6 7 11 0 94 13 7 9 23 49 14 9 21 25 6 7 4 7 13 13 16 32 25 27 15 41 7 6 9 9 11 8 5 5 5 6 7 8 9 10 13 12 6 4 6 26 20 12 6 4 4 6 4 4 5 3 4 6 8 26 4 4 4 15 7 4 4 3 3 3 3 3 3 3 3 4 7 6 4 3 3 3 3 3 3 2 2 3 3 3 2 2 3 3 2 2 2 2 2 3 3 2 3 2 3 3 2 3 2 2 2 2 2 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 2 3 2 2 3 3 3 3 2 2 2 3 3 3 3 3 2 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 5 9 3 3 4 5 4 4 4 4 3 5 4 9 20 18 18 22 24 18 9 7 7 72 100 18 12 4 3 4 4 3 2 3 3 3 3 3 4 16 5 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 85 85 d 2H J 21 | 85 85 t 1H J 22 | 72 72 t 1H J 81 | 70 70 dt 1H J 9 82 | 68 68 dd 1H J 11 81 | 62 61 d 1H J 104 | 47 46 s 2H | 43 42 m 1H | 32 32 s 5H | 30 28 m 2H | 23 22 dtd 1H J 69 85 130 | 20 19 dddd 1H J 70 82 90 130 | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1CCN1CCN(c2cccc(F)n2)CC1
ir: 5 7 3 2 5 12 2 2 2 2 2 1 1 2 2 2 2 2 3 2 4 2 2 1 1 1 2 2 6 5 3 3 11 6 4 9 3 3 3 38 92 16 7 5 8 34 100 24 4 5 4 3 2 3 3 1 3 3 2 2 2 6 3 6 6 11 5 9 7 5 7 1 3 3 3 3 3 4 11 6 20 6 8 6 19 3 2 2 3 3 1 1 2 2 1 1 2 3 2 4 7 4 5 7 4 4 2 3 3 2 2 7 5 3 1 2 3 6 4 5 24 11 5 4 4 6 13 7 6 5 8 8 71 9 2 5 7 4 10 14 20 14 3 5 6 4 2 2 2 1 2 3 3 5 32 30 17 32 26 8 4 1 2 3 2 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 2 5 6 3 15 56 10 4 2 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 78 dd 2H J 31 50 | 77 77 dd 2H J 31 51 | 75 74 ddd 1H J 49 69 79 | 70 70 ddd 1H J 13 79 103 | 68 68 dd 1H J 11 69 | 40 39 t 2H J 38 | 36 36 m 4H | 29 29 t 2H J 38 | 28 27 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(Cl)nc(SCc2ccccc2)n1
ir: 2 2 2 2 2 2 3 11 3 2 3 3 2 2 2 1 1 2 4 2 1 2 2 2 2 2 2 2 2 2 17 2 2 3 8 23 100 13 7 4 3 3 35 4 5 2 3 7 3 28 2 2 2 2 2 2 2 1 2 2 2 1 3 13 46 40 10 2 8 5 2 1 2 2 2 2 2 9 1 1 2 2 1 1 2 2 1 4 24 2 3 2 1 2 3 2 2 6 2 5 2 2 1 1 2 7 2 2 2 3 5 7 6 2 1 2 2 2 1 2 2 3 3 7 4 2 1 2 2 2 2 2 2 2 13 18 3 2 82 0 17 4 12 36 3 4 4 3 3 4 3 57 5 4 77 0 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 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 2 2 2 1 1 2 2 1 2 4 3 3 2 2 2 1 2 5 5 6 37 100 24 8 2 1 7 8 3 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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: 74 74 dq 2H J 10 75 | 74 73 m 2H | 73 72 m 1H | 71 71 s 1H | 44 44 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1CCC(O)(c2ccccc2)CC1c1ccccc1
ir: 19 9 11 7 6 7 13 13 19 6 8 12 5 25 10 4 5 5 6 3 9 5 5 12 4 5 4 4 8 15 15 25 6 7 5 3 5 7 22 12 57 32 7 7 5 4 4 5 4 4 8 5 4 3 3 4 4 4 5 5 5 3 5 5 6 10 6 10 6 21 5 7 5 5 4 3 5 6 15 8 7 26 64 9 6 5 6 7 5 72 3 5 15 6 9 5 7 6 10 7 6 9 4 4 4 3 4 4 4 7 4 11 31 34 11 6 4 5 5 4 6 8 6 5 7 6 6 7 5 5 8 11 14 14 26 77 32 14 6 6 5 7 14 65 13 10 5 9 6 0 9 43 7 12 5 1 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 2 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 4 4 5 3 6 6 6 6 6 6 4 6 6 6 6 12 16 13 31 100 60 28 10 6 5 8 11 31 25 7 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 74 72 m 15H | 71 70 tt 1H J 15 64 | 51 51 s 2H | 49 49 t 1H J 68 | 40 39 ddd 1H J 39 66 126 | 38 37 ddd 1H J 38 66 126 | 30 29 s 1H | 27 26 dd 1H J 68 139 | 25 24 ddd 1H J 38 66 137 | 24 23 dd 1H J 67 140 | 22 21 ddd 1H J 38 66 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O
ir: 9 7 4 7 3 30 8 14 26 32 11 19 6 7 10 35 2 2 1 1 1 0 1 1 3 18 11 11 5 3 5 5 19 2 2 1 5 15 10 16 88 91 18 16 12 1 2 4 6 2 3 16 100 68 5 4 5 11 3 1 3 5 9 26 21 3 4 3 3 14 11 3 6 2 2 3 7 18 10 3 13 42 13 23 82 11 10 50 25 8 3 5 10 38 33 9 9 2 5 3 8 7 6 4 1 3 6 4 5 8 7 4 3 8 7 9 8 3 9 12 15 8 4 9 14 9 38 10 4 8 7 4 1 4 6 3 14 18 28 10 2 4 5 2 75 14 10 28 78 8 6 37 6 3 2 8 11 4 1 1 8 19 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 1 2 1 2 4 6 3 7 5 8 9 5 17 14 25 87 99 51 42 17 9 4 6 2 2 1 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 dd 1H J 16 85 | 76 76 m 2H | 75 74 m 1H | 74 73 m 3H | 72 71 dd 1H J 14 75 | 43 42 ddd 1H J 95 103 137 | 42 41 m 3H | 41 40 t 1H J 72 | 24 23 m 1H | 24 24 s 3H | 24 24 s 1H | 22 21 m 1H | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12
ir: 1 1 2 1 0 5 3 2 1 2 3 4 1 2 3 2 2 3 7 1 1 2 7 9 2 2 2 2 4 3 1 1 1 2 2 3 3 4 7 2 3 4 6 12 13 15 50 5 2 4 8 3 2 5 15 10 4 3 2 0 1 2 2 1 4 3 2 1 3 3 2 1 2 8 2 9 3 4 2 1 7 2 2 1 2 2 3 1 2 2 3 1 2 6 7 2 3 4 4 1 10 2 3 3 5 6 4 7 6 3 4 4 3 2 2 4 4 3 3 9 31 2 2 2 3 5 2 2 3 3 6 4 4 6 5 12 7 8 5 4 5 3 33 4 6 2 7 46 8 5 25 23 13 1 2 3 2 4 5 3 3 1 11 2 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 3 3 2 1 2 2 2 2 3 15 10 16 29 100 46 18 12 1 3 4 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 83 m 1H | 83 82 m 1H | 81 81 dd 1H J 18 79 | 80 79 dt 1H J 14 82 | 79 79 dt 1H J 18 73 | 78 78 dd 1H J 13 80 | 77 77 d 1H J 86 | 76 75 m 5H | 71 70 d 1H J 86 | 40 39 t 2H J 57 | 18 18 tt 2H J 57 72 | 15 14 m 4H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(F)c(N2CCOCC2)c(C)c1N
ir: 14 41 16 10 5 7 7 4 5 3 2 2 3 4 1 3 3 2 1 3 2 1 3 4 4 1 9 11 7 4 1 4 4 1 3 3 6 4 6 9 4 2 2 3 2 1 9 2 3 1 2 4 2 1 3 4 2 1 4 8 5 7 5 10 9 6 2 3 2 3 3 4 10 25 3 4 2 1 2 2 0 0 2 2 1 7 42 10 4 4 3 2 1 2 2 2 7 6 3 2 1 2 14 8 0 2 2 3 5 2 2 2 1 3 3 2 1 2 3 2 1 3 4 3 3 4 3 1 1 1 2 1 3 2 3 1 1 1 2 1 1 3 4 1 1 2 2 3 2 2 2 1 11 9 2 11 100 27 10 2 4 12 2 1 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 1 1 2 2 2 3 4 5 7 9 17 4 1 3 6 2 0 1 2 1 0 1 1 1 0 1 2 1 3 14 3 1 1 1 1 1 1 1 1 1 8 91 80 5 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 66 66 d 1H J 119 | 41 41 s 2H | 38 38 m 4H | 34 33 m 5H | 22 22 s 3H | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=CC2=CC[C@@H]3C(=CC[C@]4(C)C(=O)CC[C@@H]34)[C@@]2(C)CC1
ir: 1 4 5 3 1 4 7 2 1 3 4 2 2 5 11 8 4 4 6 12 27 5 17 7 3 4 6 3 11 13 2 1 1 2 2 6 1 5 2 1 1 2 3 1 2 3 2 2 2 8 4 24 7 9 10 4 3 5 2 6 8 8 15 21 12 12 6 3 14 16 17 12 17 10 8 2 5 10 19 6 4 6 4 1 4 3 3 4 4 4 2 9 4 5 1 1 4 6 5 9 4 5 7 8 7 5 7 16 12 15 4 14 12 14 3 17 10 38 20 18 9 8 11 12 11 5 13 11 7 8 13 5 6 4 5 3 3 6 2 2 3 1 6 72 85 23 1 3 3 0 1 2 2 0 1 3 2 0 2 8 3 2 3 19 56 4 2 3 2 0 1 3 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 1 4 5 1 6 5 7 11 16 12 7 4 5 8 9 24 34 99 52 100 22 11 3 6 2 2 2 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 57 57 h 1H J 10 | 57 56 td 1H J 16 58 | 55 55 t 1H J 51 | 37 37 s 2H | 27 26 dddd 1H J 8 60 86 146 | 25 24 m 2H | 24 21 m 3H | 21 19 m 7H | 18 17 ddd 1H J 59 86 112 | 17 16 dddd 1H J 48 65 84 132 | 11 11 s 2H | 10 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOc1ccc(Oc2ccc(Cl)cc2)cc1
ir: 3 4 5 4 4 2 4 7 8 6 9 9 4 4 5 2 1 2 2 1 2 2 1 1 1 1 2 1 1 2 2 3 2 4 7 1 1 1 2 1 1 2 1 1 2 2 3 1 5 7 9 11 6 22 82 67 58 4 8 5 2 0 3 6 8 7 12 5 11 9 2 1 0 1 1 1 1 1 2 3 3 3 8 8 6 20 85 66 58 15 5 5 16 21 5 1 8 3 1 1 2 2 1 1 1 1 1 1 1 1 2 8 2 1 1 1 1 1 1 1 1 2 2 4 2 2 1 2 2 1 1 0 0 0 0 0 0 0 0 1 1 1 1 3 3 5 25 21 100 14 5 3 8 3 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 4 9 15 48 59 31 7 12 5 8 7 4 19 7 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H | 71 71 m 2H | 70 69 m 2H | 69 69 m 2H | 41 40 t 2H J 47 | 38 37 dt 2H J 47 62 | 33 32 t 1H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2[nH]c(-n3nc(C)c(Cc4ccccc4)c3O)nc2c1
ir: 2 1 0 2 9 1 2 1 2 3 2 1 1 1 1 2 4 5 71 32 2 5 1 1 1 2 9 12 12 29 21 29 37 20 46 8 15 15 7 4 3 5 2 1 1 2 1 2 2 1 2 1 3 17 3 2 2 2 2 1 1 1 1 4 1 3 5 8 2 12 5 6 3 1 1 0 0 1 4 1 0 1 1 1 2 1 2 2 0 13 10 13 12 2 6 1 1 1 3 4 26 3 2 4 9 30 29 34 3 4 1 1 3 6 1 1 2 2 3 2 8 3 2 4 3 3 7 2 1 3 1 1 1 1 10 27 5 2 1 1 1 1 16 24 5 1 3 6 4 13 1 4 8 8 5 22 3 2 1 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 4 5 6 17 31 45 32 12 9 48 100 30 8 2 2 1 1 1 1 1 0 0 1 1 1 0 0 0 3 2 4 10 10 18 7 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 100 s 1H | 86 86 s 1H | 75 75 m 1H | 74 73 d 1H J 75 | 73 72 m 2H | 72 71 m 4H | 39 39 d 2H J 9 | 24 24 d 3H J 8 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(NC=O)cc1S(=O)(=O)NC(C)(C)C
ir: 4 1 15 6 4 6 2 4 9 4 2 10 8 5 9 6 13 22 9 7 4 2 2 3 4 3 1 8 9 11 4 6 4 2 2 3 3 3 2 3 3 5 5 10 34 17 11 5 7 39 53 6 3 23 37 100 4 4 3 4 3 13 11 18 5 4 8 28 15 3 12 19 8 3 11 4 3 2 3 19 2 1 4 48 18 7 12 8 4 2 2 5 6 13 13 8 4 4 6 3 2 5 9 27 3 7 3 15 3 3 10 36 9 4 3 3 13 30 58 49 34 19 14 7 4 5 7 8 9 6 28 14 5 3 2 1 1 2 3 3 7 25 57 43 26 6 5 1 1 3 3 1 2 21 9 2 48 14 5 2 2 2 2 7 8 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 1 2 1 0 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 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 2 3 2 0 1 2 1 0 1 3 2 2 5 7 16 8 10 22 22 6 3 5 2 3 3 3 2 1 2 2 1 1 2 3 2 2 6 6 6 33 67 19 20 21 5 5 2 1 2 1 1 1 2 1 1 1 1 1 1 2 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 98 97 d 1H J 68 | 86 85 d 1H J 66 | 81 81 d 1H J 85 | 81 80 d 1H J 22 | 75 75 dd 1H J 22 86 | 64 64 s 1H | 39 38 s 3H | 10 10 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN4CCCCC4)cc2)CCO3)cc1
ir: 8 3 4 5 4 4 4 4 3 8 5 6 11 19 5 3 6 3 3 2 4 3 2 6 1 4 8 5 3 2 2 2 4 3 2 5 6 11 8 2 7 5 19 12 12 17 17 5 10 7 4 11 34 61 51 33 15 65 24 1 3 4 4 0 5 18 5 4 2 8 8 22 13 4 2 1 3 1 9 8 9 3 2 1 3 18 4 7 2 9 4 4 3 2 2 3 6 16 21 11 5 16 4 53 8 4 2 4 6 3 9 3 2 4 5 4 10 3 4 5 4 10 7 8 10 7 3 6 9 10 6 3 4 8 19 4 2 2 2 3 3 7 21 30 21 4 5 30 4 32 30 100 23 19 9 6 3 1 3 2 2 1 6 5 3 1 3 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 2 2 2 2 2 5 3 3 4 4 1 3 5 4 4 21 22 40 92 24 8 9 6 5 3 3 3 3 2 2 2 2 2 1 2 3 2 2 2 2 2 11 29 68 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 86 86 s 1H | 78 78 d 1H J 21 | 76 75 m 6H | 73 73 dt 2H J 8 82 | 73 72 m 2H | 70 70 d 1H J 86 | 44 43 t 2H J 63 | 35 35 d 2H J 9 | 28 28 td 2H J 9 63 | 24 23 m 7H | 16 15 dtd 4H J 32 49 60 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cccnc2n(Cc2ccccc2OC)c1=O
ir: 2 2 1 1 2 2 2 2 6 8 3 7 4 1 4 3 4 3 3 1 2 1 1 1 2 1 1 6 2 1 1 2 0 3 7 5 3 73 6 4 5 1 11 15 2 5 12 14 29 16 5 3 2 8 5 2 1 1 1 2 1 0 28 1 1 2 1 3 1 2 0 0 1 2 4 10 2 1 1 1 3 0 1 3 1 1 2 1 3 2 10 1 0 1 2 4 2 6 2 1 1 2 4 3 1 10 8 5 4 13 6 1 1 1 2 1 2 2 1 1 2 14 15 5 2 10 1 14 2 3 7 1 1 5 30 6 5 23 10 3 3 3 1 8 18 26 6 7 13 100 12 37 3 3 5 12 37 10 1 2 1 1 1 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 2 1 1 1 1 1 2 2 2 3 4 10 17 27 51 4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 86 85 dd 1H J 21 43 | 80 79 dd 1H J 22 82 | 74 73 m 2H | 72 72 td 1H J 18 76 | 70 69 td 1H J 10 78 | 68 68 dd 1H J 10 75 | 55 55 d 2H J 9 | 43 43 q 2H J 71 | 38 38 s 2H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C#N)C1CCN(Cc2ccccc2)CC1
ir: 21 12 6 5 5 19 30 8 14 7 7 24 6 7 13 7 6 8 4 3 3 4 4 4 5 6 6 3 5 13 11 22 28 8 5 4 6 25 35 9 18 8 29 3 5 14 6 4 5 4 5 5 4 4 8 14 17 7 4 5 5 3 7 6 5 0 16 28 10 14 6 4 11 11 12 7 8 20 22 18 14 50 52 7 8 6 5 18 58 19 8 10 20 12 5 17 13 21 22 8 18 5 6 4 7 5 5 5 8 9 13 22 32 34 11 8 10 29 9 8 10 9 9 7 8 6 5 6 12 6 16 22 13 8 8 51 16 6 5 4 4 5 6 24 55 10 12 16 5 2 2 14 6 4 3 4 3 2 2 4 3 2 3 3 3 3 3 4 3 2 3 4 2 1 3 4 3 1 3 10 9 5 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 7 5 4 7 6 8 12 6 6 2 6 9 5 18 67 28 25 100 24 18 14 4 6 6 5 3 6 5 3 3 3 3 3 2 3 3 2 3 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 3 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 73 72 m 5H | 43 42 m 2H | 35 35 d 2H J 7 | 28 27 m 4H | 22 21 pq 1H J 16 63 | 20 19 dddd 2H J 53 62 77 123 | 17 16 d 3H J 15 | 16 15 dddd 2H J 53 62 77 123 | 12 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc(CN2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)cc1
ir: 1 5 3 3 2 3 8 5 3 8 6 15 6 5 4 4 12 4 2 4 6 2 6 100 12 22 20 2 1 6 6 2 1 6 5 3 4 4 3 2 1 4 3 2 3 5 3 36 8 11 6 1 2 3 3 5 14 10 4 1 2 4 2 1 5 5 9 7 16 14 4 5 4 4 5 6 11 58 14 3 7 17 21 4 4 4 1 1 3 4 2 12 5 4 2 2 7 8 8 6 13 9 1 7 8 4 2 2 4 2 1 2 4 3 2 3 5 3 0 3 4 2 2 3 5 7 8 7 4 6 4 6 4 4 6 7 6 16 4 3 4 3 1 3 5 2 5 18 8 4 3 3 7 5 4 7 2 2 2 3 2 3 3 16 5 3 10 4 2 0 2 4 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 4 2 1 11 5 3 1 6 6 12 16 20 8 9 3 5 4 3 1 3 43 25 5 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 2 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 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 90 89 t 1H J 9 | 80 79 d 1H J 122 | 73 72 m 4H | 72 71 d 1H J 43 | 68 67 dd 1H J 109 163 | 56 55 dd 1H J 27 163 | 55 54 dd 1H J 27 108 | 46 45 qd 2H J 9 79 | 37 37 t 2H J 8 | 34 33 m 4H | 32 31 m 4H | 14 14 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCc1ccc(Oc2ccc(C(F)(F)F)c(Cl)c2)cc1
ir: 7 8 8 4 1 4 6 3 3 4 3 7 6 5 6 6 6 3 2 2 2 2 3 5 21 12 23 24 20 16 8 2 3 4 4 2 2 5 2 2 7 5 3 2 2 3 2 1 3 4 2 1 6 6 19 14 12 9 12 2 5 4 5 3 2 5 5 18 14 20 3 2 2 4 1 1 2 2 1 1 2 2 2 2 2 2 8 4 4 4 3 5 6 3 3 6 4 22 22 100 15 3 0 2 5 8 2 2 4 3 18 8 6 3 1 3 3 7 44 18 14 14 6 11 9 7 7 11 7 12 15 14 6 4 2 2 4 1 1 3 5 4 9 12 26 16 7 11 54 78 54 12 24 35 6 2 2 4 2 1 2 13 5 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 2 1 1 2 2 2 2 2 3 5 2 5 4 2 3 3 2 3 3 3 5 11 23 17 29 90 20 6 6 3 6 3 2 1 3 3 4 3 3 3 1 1 2 2 2 1 3 7 22 44 44 7 3 3 2 2 2 3 3 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 75 dq 1H J 25 74 | 72 72 d 1H J 22 | 70 70 dt 2H J 9 84 | 70 69 m 3H | 52 51 t 1H J 49 | 32 32 q 2H J 52 | 28 28 tt 2H J 8 52 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1O[C@H]1CCC(=O)C[C@H]12
ir: 3 3 2 2 4 7 16 5 5 3 6 3 5 14 4 3 6 5 7 9 4 11 29 21 4 10 8 12 21 18 8 17 12 4 14 9 8 8 7 9 9 4 5 4 3 1 4 5 2 5 5 6 3 0 10 14 6 7 5 9 2 2 4 2 12 11 11 6 4 3 3 6 4 2 2 2 5 14 3 7 1 1 3 4 1 2 6 3 1 3 2 2 4 2 2 1 1 2 3 1 2 2 2 2 2 6 2 2 18 5 11 5 4 3 3 3 2 8 17 7 3 4 11 10 9 4 7 2 3 2 4 4 3 5 3 3 2 2 6 5 6 16 17 13 24 4 4 5 29 100 35 38 17 8 5 3 3 8 17 3 1 2 1 0 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 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 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 5 3 2 3 2 2 4 3 3 12 15 19 17 23 5 5 3 2 1 3 2 2 1 2 4 2 3 2 7 5 13 45 1 5 3 3 12 1 2 3 3 2 31 14 3 1 2 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 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 d 1H J 21 | 74 74 m 2H | 72 72 dt 1H J 22 121 | 71 70 dt 1H J 20 121 | 70 70 d 1H J 79 | 64 64 s 2H | 48 47 ddd 1H J 20 48 57 | 33 33 s 2H | 31 30 dt 1H J 58 86 | 28 27 dd 1H J 85 160 | 27 27 ddd 1H J 51 78 150 | 26 25 m 2H | 23 22 ddt 1H J 49 79 136 | 21 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(c2ccc(N)c(Br)c2)CCOCC1
ir: 6 9 10 10 14 17 20 14 6 8 2 6 5 3 4 5 3 3 2 3 2 3 1 3 3 4 2 2 2 1 1 2 2 2 6 21 9 6 3 4 3 2 3 2 1 3 2 4 4 2 2 0 18 9 4 3 6 2 2 2 2 3 2 2 2 1 3 6 7 2 3 3 2 7 4 5 6 11 5 2 6 4 2 2 3 3 7 3 3 2 2 2 1 3 3 2 1 3 3 3 2 3 3 2 2 1 2 2 2 4 3 2 1 2 4 4 6 12 7 3 1 2 2 2 2 2 4 3 4 4 3 4 3 2 2 2 1 2 2 1 1 2 2 2 7 22 3 2 2 3 4 3 4 16 14 55 9 11 6 3 2 1 3 4 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 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 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 2 2 4 4 2 2 2 2 2 2 3 8 13 8 6 7 4 2 2 2 1 2 2 1 1 1 1 1 1 2 2 1 2 28 2 1 1 1 1 1 1 2 2 14 27 100 9 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 74 d 1H J 23 | 71 71 dd 1H J 24 82 | 67 67 d 1H J 81 | 39 39 s 2H | 39 38 ddd 2H J 38 65 114 | 37 37 m 2H | 37 37 s 3H | 25 25 ddd 2H J 38 65 147 | 23 22 ddd 2H J 38 65 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(-c2ccc(C=NO)o2)c(C)[nH]c1=O
ir: 14 6 5 15 89 11 7 4 9 7 23 49 14 9 11 5 4 3 3 4 4 5 2 4 3 3 3 6 5 2 2 3 4 3 3 3 4 2 2 4 3 2 3 4 3 2 5 7 6 100 14 6 6 3 4 4 5 11 14 14 6 2 3 3 2 2 5 6 3 5 11 5 4 5 6 52 17 4 2 3 3 2 2 3 3 2 2 2 2 3 4 4 3 6 7 8 7 3 0 62 2 3 4 8 2 3 7 5 2 3 25 9 3 4 3 3 2 4 3 4 2 6 15 7 3 3 2 2 2 3 3 2 2 3 3 2 2 2 3 2 4 12 3 2 3 2 2 3 3 11 9 5 20 28 23 85 8 6 3 4 3 2 2 4 5 16 36 0 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 2 2 2 2 2 2 3 2 3 3 7 5 4 3 5 18 8 16 7 10 6 2 35 48 0 3 4 2 1 3 4 3 2 4 6 4 6 7 26 80 8 4 4 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 s 1H | 78 78 s 1H | 77 77 t 1H J 13 | 68 68 m 2H | 27 27 qd 2H J 13 76 | 24 24 s 3H | 11 11 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(S)NCCN(C(=O)Cn1ccc(-c2ccc(-c3cn4ccccc4n3)cc2)n1)C(C)(C)S
ir: 4 4 3 4 4 3 2 3 6 5 3 4 5 4 3 4 5 8 5 6 4 5 4 4 4 5 6 19 12 7 3 4 4 2 2 4 4 3 4 12 9 18 26 28 22 22 24 27 25 7 18 17 4 3 12 23 19 8 10 8 8 10 10 11 7 16 5 5 8 5 5 3 3 5 5 3 3 3 3 5 4 4 4 4 3 6 6 10 8 7 6 6 4 8 12 7 5 4 4 8 5 4 4 10 9 13 4 3 2 3 4 6 7 5 6 11 5 29 29 15 8 7 11 13 5 6 6 7 6 9 20 10 12 17 10 7 9 10 5 10 32 16 11 0 30 62 30 13 12 27 8 7 5 4 3 4 5 4 11 4 3 2 3 3 2 3 3 3 2 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 10 4 8 3 4 3 3 2 2 2 2 2 2 2 2 3 3 2 3 4 4 3 2 3 6 5 7 4 3 4 4 5 14 10 16 23 57 25 29 41 16 8 18 4 4 5 5 4 3 3 3 3 3 5 6 5 100 35 9 6 4 4 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 m 1H | 83 82 s 1H | 78 77 m 5H | 76 75 dd 1H J 16 79 | 75 75 dt 1H J 9 37 | 73 72 ddd 1H J 14 70 80 | 69 68 ddd 1H J 13 70 82 | 67 67 d 1H J 35 | 49 49 d 2H J 7 | 35 35 t 2H J 40 | 30 30 t 1H J 40 | 29 28 q 2H J 41 | 23 22 s 1H | 22 22 s 1H | 17 17 s 5H | 17 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncc(-c2cc(Cl)c(C)nn2)cc1N1CCOCC1
ir: 3 2 2 2 1 2 3 1 3 6 9 12 18 6 4 8 3 5 6 3 2 1 1 5 24 4 4 6 6 3 5 45 6 2 4 3 4 28 20 77 31 4 2 2 2 1 1 2 1 1 1 3 15 5 2 3 2 1 2 1 1 2 3 3 5 33 67 14 11 7 5 2 7 15 4 2 1 2 1 1 1 1 1 1 1 4 21 2 1 2 4 4 22 32 10 8 6 10 10 18 100 20 4 4 4 4 6 2 2 3 17 7 4 3 3 3 3 3 2 13 11 3 3 4 1 7 31 8 4 3 8 10 39 18 26 18 3 4 1 1 1 1 4 44 9 3 2 0 57 1 1 1 1 2 2 12 3 43 6 1 2 3 1 15 4 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 4 3 1 2 3 2 3 2 1 4 2 2 5 8 21 4 13 62 36 11 2 1 2 1 1 1 1 1 1 1 0 1 1 1 1 0 0 1 1 0 1 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 83 d 1H J 16 | 81 81 s 1H | 75 74 d 1H J 16 | 39 39 s 3H | 38 38 m 4H | 33 33 m 4H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(=O)[nH]nc2C)cc1
ir: 1 1 2 2 1 2 2 6 2 3 17 17 14 3 2 3 1 2 3 4 2 2 2 2 1 1 1 1 1 1 1 5 6 2 5 7 4 2 3 3 1 2 2 1 1 1 1 4 28 100 20 6 6 3 9 47 16 3 4 5 8 3 2 3 2 3 12 23 15 5 15 2 2 2 1 1 1 2 1 0 1 2 1 1 1 1 1 5 4 6 11 2 10 5 2 2 4 43 1 2 1 1 1 1 1 1 2 1 1 1 0 1 6 1 1 1 2 2 4 2 2 4 5 3 4 2 1 6 6 6 1 1 1 1 1 0 4 3 6 24 5 0 1 3 3 14 31 42 6 4 3 7 32 5 5 3 1 0 1 2 2 2 23 1 1 73 4 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 1 1 1 0 1 2 1 1 1 3 2 3 4 10 25 14 21 44 12 6 2 3 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 3 18 39 48 4 2 2 2 3 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 m 2H | 70 70 dd 4H J 12 77 | 38 38 s 3H | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)c1cccc2cccnc12
ir: 3 2 6 10 3 2 2 5 14 1 4 3 2 2 2 2 2 0 0 6 4 4 1 1 2 2 1 2 2 2 1 2 1 2 1 13 6 2 0 3 4 1 2 4 19 55 78 10 3 8 11 31 12 48 7 10 1 1 2 1 2 3 13 53 3 5 3 3 6 7 8 70 45 15 85 42 41 19 26 6 3 15 26 10 12 38 40 9 1 3 3 2 10 24 17 11 6 4 2 1 1 1 3 3 2 2 5 7 16 7 5 3 1 2 9 6 6 6 5 3 3 5 10 38 40 7 8 20 21 24 33 46 37 15 11 10 16 5 2 5 6 3 3 13 36 53 10 4 8 6 4 1 1 2 16 9 6 3 7 25 11 1 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 1 2 3 2 3 3 2 1 5 7 5 14 76 62 57 7 5 2 1 1 2 2 2 6 8 4 10 61 99 37 25 7 3 69 100 51 4 2 2 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 89 89 dd 1H J 18 40 | 82 82 dt 1H J 18 82 | 79 79 dt 1H J 15 87 | 76 75 m 2H | 75 74 t 1H J 86 | 43 43 m 1H | 20 20 d 2H J 62 | 16 15 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N
ir: 3 2 1 2 2 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 3 1 0 1 2 1 2 1 1 1 1 2 3 11 2 2 3 4 4 19 22 5 4 6 10 12 4 6 5 4 2 3 1 1 1 0 24 21 10 28 4 2 4 8 2 1 1 1 3 3 1 4 2 5 2 3 13 11 2 2 0 1 4 4 1 1 1 1 0 0 2 3 0 1 2 1 0 1 1 1 0 2 4 3 0 1 3 4 4 2 3 3 1 4 7 2 0 2 4 2 1 4 6 6 3 4 7 8 1 2 3 1 4 26 49 4 0 2 2 0 0 2 3 2 1 9 36 100 36 4 2 3 2 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 2 3 2 2 16 10 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 2 16 26 10 3 2 2 2 2 8 31 27 19 12 3 2 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 68 67 t 1H J 43 | 48 48 d 2H J 60 | 44 43 ddt 1H J 19 36 54 | 40 39 h 1H J 59 | 36 36 dddd 1H J 7 36 51 119 | 35 34 m 1H | 33 31 m 2H | 22 21 m 2H | 19 18 m 2H | 14 14 d 3H J 57 | 12 11 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CC=O)S(=O)(=O)c1ccc(C#N)cc1
ir: 5 3 4 4 2 7 16 17 12 19 4 3 3 5 6 4 4 4 5 3 5 17 6 3 3 13 20 7 5 1 2 6 5 8 6 8 4 4 2 1 1 1 1 1 4 2 4 10 4 2 3 2 1 1 4 42 100 4 3 1 5 4 10 6 5 5 8 14 10 8 6 1 1 3 1 0 2 1 1 2 13 35 22 8 80 80 8 7 13 34 50 13 5 10 8 12 7 5 5 4 2 2 3 1 5 8 5 1 1 1 2 1 1 1 1 1 1 3 6 5 1 2 2 4 17 9 3 1 1 2 1 1 0 1 1 0 1 1 1 0 0 1 2 1 6 23 6 2 4 15 4 4 4 2 1 1 1 1 1 7 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 2 1 2 3 10 46 17 20 8 2 4 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 t 1H J 48 | 79 78 s 4H | 41 40 d 2H J 48 | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(-c2ccc(NC(C)=O)cc2)nc(N)n1
ir: 16 8 8 6 3 2 5 5 10 7 9 6 10 5 3 3 5 3 4 3 3 4 2 3 4 3 3 3 5 6 12 6 10 9 7 9 26 21 38 19 6 9 5 4 5 3 2 2 3 3 5 3 9 4 1 9 11 17 4 4 2 4 4 6 10 8 9 3 3 1 3 3 4 1 1 1 1 2 1 2 1 1 1 0 1 1 1 0 1 1 1 1 1 4 2 1 1 1 1 1 2 1 2 3 7 3 2 8 1 1 2 2 2 1 1 2 1 2 5 2 1 1 1 1 4 3 2 2 2 3 2 2 1 2 2 2 2 3 5 7 10 10 15 13 20 100 50 27 14 11 12 51 37 6 9 2 2 1 3 28 14 1 2 6 6 7 2 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 0 1 1 0 1 1 1 1 2 2 3 9 14 11 8 4 2 2 2 2 1 1 1 1 1 2 2 4 2 2 8 12 7 9 7 30 18 47 10 6 8 2 9 78 5 2 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 78 78 m 2H | 76 76 m 2H | 66 66 s 1H | 59 59 s 2H | 59 58 m 1H | 29 29 d 3H J 48 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCCC4)C(C)(C)C)c3n2)cn1
ir: 5 6 4 5 14 15 13 24 18 10 5 21 8 45 13 17 12 5 3 6 5 6 5 6 5 6 9 15 48 87 100 66 52 11 5 5 5 4 21 42 37 6 5 25 12 17 19 14 16 5 3 4 3 4 3 6 3 2 3 9 4 11 11 8 10 28 10 16 6 7 8 7 8 2 3 3 2 2 3 7 8 16 5 3 3 13 5 3 4 4 49 23 27 12 9 7 5 20 6 4 1 4 7 11 8 9 9 5 14 13 11 6 7 24 34 12 4 15 53 30 18 23 12 15 3 9 4 14 11 10 6 13 9 24 57 16 13 3 2 4 5 51 39 90 12 21 35 34 11 39 47 8 4 19 12 5 4 4 7 7 3 9 7 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 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 2 4 3 2 6 7 4 3 3 7 4 3 4 6 7 3 9 52 38 14 7 6 15 0 34 21 5 3 4 3 2 3 2 2 3 2 3 3 3 3 4 3 6 12 25 27 83 27 61 8 5 5 3 3 4 3 4 3 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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; 1HNMR: 95 95 s 1H | 82 82 s 1H | 82 81 m 2H | 77 77 q 1H J 7 | 45 44 ddq 1H J 15 29 101 | 40 39 qd 2H J 9 50 | 35 34 m 4H | 18 18 p 4H J 21 | 14 13 t 3H J 50 | 10 10 d 9H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2nc3c(Br)cccn3n2)cc1
ir: 2 2 1 1 3 2 3 6 39 18 19 5 3 2 2 1 2 4 1 3 4 2 3 2 2 1 1 1 1 1 0 1 1 1 1 1 2 2 3 10 4 1 1 1 1 1 4 14 13 3 1 1 1 2 5 70 25 5 2 2 4 1 3 6 3 3 3 3 2 9 4 1 1 1 2 2 1 2 1 1 1 1 5 5 2 1 1 2 6 2 7 20 2 5 1 1 1 1 2 1 0 1 2 2 21 2 8 42 5 1 1 2 28 2 1 1 2 2 4 2 3 3 2 1 9 4 6 12 5 2 2 1 1 1 1 1 1 2 10 3 1 1 2 1 6 8 8 12 4 15 51 33 6 3 12 3 2 1 1 1 1 2 1 4 5 2 1 1 1 1 5 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 0 1 0 1 1 1 1 1 0 1 1 0 1 1 0 1 0 0 1 1 1 0 0 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 3 5 5 8 10 18 37 100 23 17 7 5 2 1 2 2 1 0 1 1 0 0 1 2 1 0 1 2 0 0 7 20 51 22 6 5 2 2 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 93 92 dd 1H J 13 77 | 86 85 s 1H | 79 78 dd 1H J 13 88 | 76 75 m 2H | 75 74 dd 1H J 78 87 | 70 69 m 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@H]1O[C@@H]1C(=O)OC
ir: 30 31 31 24 30 25 15 11 12 29 12 32 4 9 6 4 3 5 6 3 4 5 5 4 4 5 5 6 4 21 27 6 7 4 6 39 70 34 51 7 29 18 17 15 8 15 8 6 11 8 12 5 6 9 20 4 10 31 5 4 11 10 10 10 19 15 8 5 7 5 5 8 8 14 7 16 14 12 35 12 26 8 6 6 9 8 1 4 10 11 5 10 10 11 4 3 8 10 13 43 26 22 3 8 12 11 27 85 29 28 21 39 27 19 20 24 11 11 11 24 65 18 15 9 18 8 7 6 7 5 6 9 6 14 10 17 19 22 21 38 73 51 100 36 85 86 42 26 19 8 5 11 7 5 4 34 14 61 22 15 7 2 3 7 4 0 3 7 4 0 3 7 3 0 4 7 3 0 4 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 6 4 1 3 6 4 1 3 6 4 0 3 6 3 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 2 1 4 5 2 2 5 5 2 2 4 5 2 2 5 5 2 2 5 5 2 3 6 5 3 6 10 8 3 5 10 9 7 12 16 12 2 14 43 63 45 48 57 29 17 9 7 5 4 4 6 4 3 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 1 3 5; 1HNMR: 38 38 q 1H J 54 | 38 37 d 1H J 57 | 37 37 s 3H | 18 17 dq 1H J 56 134 | 16 13 m 3H | 9 8 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(-c2cc3nccnc3c(OC[C@@H]3CCCNC3)n2)cn1
ir: 1 2 1 4 1 3 2 2 3 3 4 14 16 15 6 3 2 1 5 5 3 5 4 2 1 1 2 1 1 1 1 8 4 2 5 22 33 6 3 2 1 2 4 5 9 2 2 1 1 5 1 15 7 48 41 9 6 20 28 2 2 3 3 3 2 3 8 8 20 7 8 9 3 2 1 4 3 1 3 5 1 25 10 1 5 2 2 2 1 3 3 2 2 2 1 3 9 4 5 8 9 1 2 1 1 4 23 9 2 3 16 39 20 10 5 12 25 11 11 10 17 11 6 8 7 6 3 5 7 24 17 5 2 4 7 4 0 4 10 10 12 54 5 4 2 2 2 2 2 2 2 19 7 26 3 2 2 6 1 1 5 6 2 1 13 37 7 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 1 1 1 1 1 1 2 10 7 8 13 14 7 2 2 2 2 1 1 1 1 1 1 1 1 1 2 3 8 22 100 32 3 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 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; 1HNMR: 91 91 d 1H J 19 | 89 88 d 1H J 33 | 86 86 d 1H J 33 | 84 83 dd 1H J 19 80 | 83 82 s 1H | 68 67 d 1H J 79 | 43 42 dd 1H J 70 134 | 41 40 dd 1H J 70 135 | 39 38 tt 1H J 40 47 | 32 31 s 5H | 30 29 ddd 1H J 29 48 126 | 29 27 m 2H | 27 26 ddd 1H J 48 57 126 | 22 21 qddd 1H J 29 46 57 71 | 19 18 dddd 1H J 46 57 84 142 | 17 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN(C)C2CCN(C(=O)OC(C)(C)C)CC2(C)C)cc1
ir: 7 5 8 4 6 8 14 7 5 7 26 17 6 7 9 3 5 3 4 6 2 2 3 1 3 6 5 2 2 3 3 2 4 3 3 1 1 3 3 5 2 3 2 1 2 5 9 7 3 3 2 2 4 0 11 74 27 18 3 6 10 7 11 11 9 5 5 1 4 13 3 1 2 4 6 4 3 4 1 1 2 2 1 0 7 9 14 16 10 3 14 17 4 2 4 3 7 6 11 6 4 8 3 4 4 4 4 3 3 3 2 5 5 2 3 7 8 9 6 12 16 5 22 24 16 11 14 12 4 8 11 11 14 4 7 9 10 5 8 8 5 2 1 2 3 2 2 10 17 9 13 52 23 5 2 2 2 1 1 2 1 5 3 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 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 2 1 1 1 1 1 1 2 2 1 2 3 3 2 3 4 5 4 3 4 2 1 3 5 8 12 51 20 42 100 31 5 5 3 2 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1; 1HNMR: 72 72 dt 2H J 9 86 | 68 68 m 2H | 38 38 s 3H | 38 37 m 2H | 36 36 d 1H J 119 | 36 35 dt 1H J 9 123 | 35 34 d 1H J 119 | 34 33 ddd 1H J 53 81 121 | 27 26 tdq 1H J 15 29 61 | 23 23 d 3H J 14 | 21 20 dddd 1H J 53 63 79 117 | 19 18 dddd 1H J 53 63 81 117 | 15 14 s 8H | 10 10 d 3H J 15 | 10 9 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC(C#N)[C@H](c2ccc(F)cc2F)C1
ir: 4 3 3 8 13 38 16 7 8 11 68 24 7 2 6 5 2 5 1 1 1 10 3 3 1 1 1 1 2 4 1 2 1 2 1 1 2 3 4 1 1 1 1 2 1 1 1 1 1 2 2 11 4 1 17 38 5 7 8 2 2 4 3 2 1 2 8 33 6 5 0 3 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 2 2 1 1 2 3 3 8 4 2 12 4 3 3 4 3 6 22 14 11 2 1 6 11 11 22 16 23 12 5 8 6 5 5 6 5 6 14 4 8 5 10 14 14 10 11 43 5 2 1 0 0 1 2 1 1 2 8 4 2 2 3 24 23 71 14 4 2 2 1 1 0 1 2 35 1 1 1 1 0 1 0 0 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 3 4 4 3 2 3 2 4 2 4 4 9 4 8 8 35 8 4 100 8 3 5 2 3 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 dtd 1H J 7 47 79 | 69 67 m 2H | 40 39 dd 1H J 22 109 | 39 38 dd 1H J 26 109 | 38 37 dd 1H J 40 110 | 36 36 ddd 1H J 18 28 111 | 35 34 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1
ir: 15 23 4 7 3 7 5 7 5 3 9 13 4 7 22 22 100 5 1 8 14 5 6 12 11 4 3 3 3 2 2 5 19 6 5 3 4 14 29 4 6 15 2 3 5 3 3 4 2 2 8 4 3 6 19 10 10 2 3 2 1 3 8 12 6 8 3 5 6 3 4 2 3 4 5 14 12 37 16 27 27 47 12 31 59 74 26 16 27 16 9 8 8 15 5 3 2 4 5 8 7 6 1 3 3 2 5 2 1 3 7 6 6 7 8 3 17 16 37 48 19 32 16 15 10 12 11 3 1 5 4 3 4 2 3 1 1 2 2 2 2 5 37 15 6 8 31 5 10 14 8 2 3 3 2 1 1 1 1 1 1 3 6 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 0 0 1 1 0 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 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 4 1 1 1 3 2 3 17 15 26 12 23 43 35 9 4 4 2 1 1 2 2 1 1 2 1 1 1 3 2 16 83 7 3 12 20 64 23 16 6 3 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 79 78 m 2H | 78 78 m 2H | 76 75 m 2H | 75 74 dt 2H J 9 97 | 73 73 d 1H J 170 | 72 72 m 3H | 64 63 d 1H J 170 | 44 44 dt 2H J 9 50 | 16 15 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)N1CC(C#N)[C@H](c2ccc(F)cc2F)C1
ir: 8 8 0 5 10 5 5 16 27 8 13 20 9 4 2 9 12 6 4 6 9 5 6 6 6 2 3 8 6 2 2 7 9 3 3 7 6 4 9 16 17 3 3 8 5 1 3 7 5 5 10 9 46 20 33 25 6 2 20 14 7 5 8 12 7 43 70 34 19 7 7 13 6 29 18 7 3 3 6 8 3 2 6 7 2 6 33 15 6 9 9 7 8 28 26 21 14 14 12 10 2 18 37 93 100 16 26 19 4 7 9 5 1 4 8 4 1 6 10 5 6 8 10 7 9 10 9 4 3 15 25 15 7 7 7 4 2 6 6 3 1 7 18 3 2 6 6 4 16 51 20 14 25 20 6 2 3 7 5 2 8 20 4 1 3 6 4 0 4 7 4 0 4 7 3 1 5 7 5 54 43 5 3 1 4 6 3 1 5 6 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 7 3 0 4 6 3 1 4 6 3 1 4 6 3 2 4 6 3 2 5 6 2 2 5 5 2 2 6 5 2 2 5 5 2 2 6 5 2 3 6 5 3 7 8 6 3 4 9 7 3 9 13 20 23 10 27 43 13 47 75 49 8 9 9 5 1 5 7 3 2 6 6 3 2 5 5 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1; 1HNMR: 73 72 dtd 1H J 7 47 79 | 69 67 m 2H | 34 33 dddt 1H J 11 17 24 44 | 31 31 dd 1H J 20 108 | 31 30 m 2H | 29 28 dd 1H J 38 108 | 27 26 dd 1H J 26 106 | 11 11 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(C)=CCC=C(C)CC=CCCCCCCCl
ir: 2 1 0 1 1 1 1 2 2 2 2 1 0 2 1 4 3 6 6 4 1 2 4 1 4 5 4 4 1 1 2 1 1 1 1 2 2 3 6 3 10 5 4 3 8 3 1 4 2 0 2 2 2 2 3 2 2 2 3 3 2 2 2 16 10 10 8 9 13 11 15 21 8 17 35 33 25 13 10 5 1 1 2 2 1 0 1 1 0 1 2 1 1 1 9 8 9 11 8 2 4 12 3 1 4 7 12 12 17 34 28 7 7 11 14 12 28 37 49 27 60 24 10 17 8 8 5 5 8 9 12 3 3 3 5 6 3 5 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 1 0 4 2 9 3 5 1 1 0 1 0 0 1 0 0 0 0 0 0 0 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 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 2 2 2 4 10 6 7 11 5 9 12 6 12 6 21 18 48 52 25 100 49 13 8 4 3 2 3 1 1 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 55 54 m 2H | 53 53 tdt 1H J 13 26 61 | 53 52 tdq 1H J 12 26 66 | 36 35 t 2H J 34 | 27 26 ddh 2H J 10 21 43 | 26 25 dddq 2H J 10 20 51 73 | 21 20 tddd 2H J 10 21 45 77 | 20 19 tq 2H J 12 72 | 18 17 tt 2H J 34 76 | 17 17 q 3H J 11 | 17 16 q 3H J 11 | 15 12 m 12H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cnn(Cc2ccccc2)c1-c1ccccc1
ir: 8 3 3 2 4 5 4 5 7 8 9 10 5 3 2 3 5 3 3 6 5 4 2 3 4 5 5 3 5 3 10 16 21 14 6 19 7 3 3 4 15 14 9 4 3 2 3 3 2 0 2 3 2 0 1 3 2 1 2 3 1 0 2 6 2 1 3 6 16 8 7 3 2 2 3 4 6 6 7 6 4 2 5 5 19 23 16 13 20 13 9 8 7 4 6 3 3 3 4 5 5 2 2 2 2 2 2 2 1 1 2 2 1 2 5 4 1 2 3 2 3 5 3 3 1 3 3 2 1 3 9 13 8 6 12 16 12 3 3 1 1 9 33 44 13 6 5 3 2 3 2 7 11 8 3 1 1 2 1 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 3 1 2 5 7 15 16 60 33 22 3 4 4 5 6 100 19 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 75 73 m 4H | 73 72 m 5H | 72 71 ddt 2H J 9 25 57 | 54 54 t 2H J 8 | 49 48 dd 2H J 9 57 | 37 37 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1
ir: 7 4 5 7 3 6 2 5 5 1 4 2 2 5 5 3 2 2 4 4 3 8 13 2 3 1 1 1 1 1 6 5 5 2 3 1 1 5 6 4 6 16 11 5 3 3 3 1 3 10 9 30 11 21 100 27 15 7 4 5 3 1 1 3 14 6 13 4 8 11 1 1 2 5 2 2 2 8 10 2 1 7 18 6 13 16 5 5 9 8 8 6 16 8 48 11 4 2 3 12 3 4 4 3 9 7 5 1 1 1 1 1 0 1 2 1 6 3 7 9 10 5 5 13 4 3 2 2 1 2 3 3 4 9 4 12 8 3 1 1 2 3 9 4 5 14 29 9 13 10 22 9 12 6 1 1 1 1 1 1 4 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 1 1 1 1 2 2 2 1 1 1 2 1 1 2 7 22 52 76 50 9 6 7 3 2 1 5 3 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 26 | 77 76 dd 1H J 25 91 | 75 74 m 5H | 71 70 d 1H J 91 | 51 51 t 2H J 7 | 39 39 s 2H | 23 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)Nc1c(C)cc(C(=O)OC)cc1N
ir: 3 5 6 7 16 4 6 4 4 3 2 3 5 6 2 3 5 5 9 4 6 6 11 19 15 10 28 16 15 15 11 16 27 13 19 11 12 16 19 10 5 5 6 6 5 7 6 2 8 3 2 4 4 2 3 3 3 3 3 3 2 2 4 4 6 12 28 13 8 3 5 5 3 2 4 5 4 5 6 7 8 3 3 2 2 2 2 2 1 1 1 1 1 1 2 2 1 2 2 3 3 3 2 2 14 4 4 3 2 2 2 4 3 4 5 10 10 7 9 11 0 3 3 2 1 5 5 3 4 3 2 8 4 4 3 9 3 2 2 2 2 2 3 4 19 65 11 17 18 5 9 100 16 29 20 3 3 7 14 16 3 2 2 2 3 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 1 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 2 1 2 3 2 2 2 3 2 3 2 3 3 3 4 11 7 4 13 20 15 7 2 2 1 1 2 3 1 1 2 2 2 2 2 3 2 3 15 61 13 8 17 19 14 5 6 6 4 10 87 94 10 5 3 2 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; 1HNMR: 88 88 s 1H | 77 77 d 1H J 25 | 73 73 d 1H J 22 | 48 48 s 2H | 39 39 s 3H | 23 22 m 5H | 17 16 qt 2H J 62 75 | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1cc(-c2ccccc2)c(OCC(=O)OC)c(-c2ccccc2)c1
ir: 4 2 1 2 2 2 1 1 1 1 3 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 3 4 2 8 4 7 4 7 5 5 2 21 42 9 24 6 3 0 3 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 3 2 4 5 16 10 17 19 4 4 2 1 5 3 2 2 2 2 1 1 1 1 1 1 2 9 1 1 1 1 1 1 1 1 2 4 2 1 1 2 2 1 1 1 1 1 1 3 2 1 1 2 1 2 2 2 5 3 5 3 1 2 1 2 2 4 3 10 3 2 3 6 10 2 2 1 4 4 4 29 16 11 24 9 12 4 2 1 2 16 1 1 2 1 1 0 8 0 0 1 1 7 1 0 1 1 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 2 1 2 2 2 1 1 2 1 3 4 6 13 7 18 100 20 8 2 3 3 3 2 1 1 2 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 9H | 74 73 m 2H | 71 71 s 2H | 48 47 s 2H | 41 40 t 2H J 64 | 38 37 s 2H | 18 17 p 2H J 67 | 15 14 h 2H J 69 | 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.
CCN(CC)c1cccc2cc3c(oc12)c(C#N)c(=N)n1c2ccccc2nc31
ir: 1 2 2 3 3 1 2 1 1 2 3 2 4 3 3 2 3 5 6 2 3 3 5 3 3 4 3 3 8 38 8 1 1 2 3 3 3 14 25 9 6 2 28 21 8 7 6 28 4 33 21 2 3 12 11 1 2 5 3 1 2 2 3 1 2 3 2 1 4 2 2 5 6 5 8 3 2 2 2 2 3 17 3 5 2 10 3 9 13 4 3 4 24 22 2 2 3 9 3 1 15 4 1 4 5 2 2 2 3 10 1 2 4 3 1 7 3 2 2 3 5 3 1 5 6 3 2 2 2 3 5 2 3 4 7 3 4 11 12 38 11 2 2 3 3 10 9 5 4 4 4 2 43 1 3 4 5 1 31 4 3 1 9 2 2 9 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 11 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 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 3 2 4 2 8 4 20 22 32 26 9 2 2 3 2 0 2 3 1 0 3 4 3 100 9 1 3 3 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 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 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 82 s 1H | 79 78 dd 1H J 13 66 | 78 78 dd 1H J 14 74 | 76 76 dd 1H J 12 82 | 75 74 td 1H J 14 69 | 74 73 td 1H J 13 73 | 73 73 dd 1H J 71 81 | 68 68 dd 1H J 11 71 | 35 34 q 4H J 70 | 11 11 t 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CCCC(c1ccc(S(C)(=O)=O)cc1)=C2CCCCCO
ir: 3 2 2 1 2 2 2 2 1 3 4 2 2 2 1 2 3 6 4 2 2 2 1 2 1 1 0 1 1 0 1 1 2 1 2 2 4 6 2 2 2 3 1 1 2 1 1 1 1 3 2 1 3 2 18 26 10 2 5 3 2 0 2 3 4 27 9 7 5 5 2 3 1 1 2 2 3 1 4 2 1 2 5 5 100 20 13 6 38 10 34 26 6 3 2 3 5 1 4 4 1 1 2 2 2 10 8 4 3 2 2 2 1 2 4 4 2 2 6 5 7 5 2 7 2 1 3 2 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 6 2 1 2 6 5 1 2 8 5 3 2 1 1 1 1 1 1 1 6 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 2 3 2 3 4 2 2 4 7 21 11 8 7 76 21 5 6 8 11 2 43 45 24 14 7 3 2 2 3 2 1 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 78 78 m 2H | 78 77 m 2H | 72 72 d 1H J 92 | 68 68 dd 1H J 22 92 | 67 67 dt 1H J 8 20 | 38 38 s 2H | 36 35 q 2H J 58 | 33 32 s 2H | 31 30 tt 2H J 10 80 | 29 29 tt 2H J 10 76 | 29 28 td 2H J 9 89 | 27 26 t 1H J 59 | 20 19 tt 2H J 80 89 | 16 15 m 4H | 15 14 ttd 2H J 16 72 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(OCc2c(-c3ccc(F)cc3)noc2CO)cc1C(=O)NC1(C)COC1
ir: 4 13 16 8 3 6 9 5 4 11 13 4 8 7 12 5 5 6 25 11 10 10 8 5 3 25 8 5 3 4 3 2 3 8 7 6 1 3 3 1 1 3 3 10 13 56 18 6 6 3 9 1 5 14 8 10 29 3 1 1 2 1 4 4 3 9 4 2 6 3 5 3 8 21 7 2 2 2 0 1 2 3 2 2 2 3 4 6 5 3 4 15 20 7 25 25 16 3 5 5 2 2 0 1 2 2 0 1 2 2 3 3 2 2 0 2 2 2 10 3 4 5 0 6 5 2 0 1 3 8 4 15 6 3 3 9 3 2 1 10 4 1 6 12 7 20 47 12 12 100 7 5 4 1 2 1 1 1 1 1 1 0 2 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 1 1 1 2 3 1 5 2 1 1 2 2 6 9 10 5 41 23 19 5 3 4 39 49 10 3 1 2 1 1 1 1 1 1 2 2 3 2 2 4 16 43 21 4 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 m 2H | 74 73 s 1H | 72 71 m 2H | 63 63 s 1H | 55 55 s 2H | 48 47 d 2H J 65 | 42 42 t 1H J 65 | 41 40 m 5H | 38 37 d 2H J 104 | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCl)c1cnc(Cl)c(Cl)c1
ir: 0 2 3 2 0 7 3 8 1 3 3 2 1 2 3 2 3 2 3 1 0 3 6 1 4 2 2 1 2 4 4 1 5 7 10 53 11 100 2 4 2 3 2 3 8 7 2 4 2 2 2 1 2 2 2 1 3 2 3 1 2 2 1 1 2 2 3 2 3 4 2 2 8 6 1 1 2 2 1 1 3 5 6 4 3 4 3 2 2 2 3 3 2 2 1 1 2 2 1 2 3 4 5 3 7 2 1 2 2 2 1 2 3 3 4 3 5 2 3 7 20 20 6 5 9 27 28 10 4 2 1 2 2 2 1 2 2 1 1 3 14 3 21 8 27 1 1 3 2 1 2 3 2 1 15 24 18 2 1 2 2 38 2 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 2 2 3 2 3 4 3 2 2 2 2 5 9 7 6 7 8 7 6 2 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2; 1HNMR: 87 87 d 1H J 16 | 82 81 d 1H J 16 | 48 48 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc(-c2ccc(C=O)cc2)cc1
ir: 0 4 5 4 8 8 9 4 2 5 6 4 4 18 24 11 9 8 6 3 3 4 4 3 7 5 4 2 2 3 3 3 4 7 12 7 5 5 3 2 4 5 5 2 3 7 8 2 7 11 25 100 41 60 11 12 9 14 6 3 4 4 3 2 3 4 4 2 5 87 6 1 4 7 2 1 4 5 3 1 4 4 2 2 4 7 2 6 8 17 4 18 19 4 3 3 4 3 7 5 10 13 5 9 12 31 3 3 6 5 5 4 5 3 2 5 6 8 6 4 7 12 7 21 21 4 5 5 6 2 1 3 5 3 2 4 5 2 1 9 5 5 19 94 26 12 11 14 9 10 7 18 8 8 8 7 5 3 3 5 4 3 3 5 9 5 3 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 4 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 4 3 1 2 3 3 2 2 5 4 2 3 5 4 3 5 5 3 2 4 6 16 3 27 20 52 73 55 41 11 8 7 8 4 4 4 3 3 2 3 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 100 99 s 1H | 78 78 m 2H | 78 77 m 2H | 76 75 m 2H | 72 72 dt 2H J 9 82 | 26 26 tt 2H J 9 64 | 17 16 qt 2H J 64 76 | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(=O)OCC(OCC)OCC
ir: 6 5 4 5 7 5 0 5 4 3 2 7 10 3 4 2 2 2 0 1 1 1 2 1 2 3 3 2 4 2 1 1 1 1 1 1 1 1 1 3 4 2 4 2 1 1 2 1 3 1 3 3 7 4 7 4 4 5 2 1 1 1 3 5 5 5 11 3 6 5 3 1 14 18 5 23 36 15 8 8 10 3 3 1 1 1 1 2 1 2 1 2 2 2 4 4 7 6 5 7 7 5 7 3 1 2 2 3 4 19 8 23 52 11 12 4 12 10 7 17 13 13 28 5 9 2 7 4 8 11 1 3 2 3 10 8 8 3 1 5 4 2 5 9 100 16 11 6 6 4 3 1 1 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 0 1 0 0 1 0 0 0 1 1 0 0 1 0 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 4 2 6 4 5 4 6 4 3 5 5 3 12 20 45 16 14 5 2 2 1 2 1 1 1 1 0 0 1 1 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 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 1 0 0; 1HNMR: 49 49 t 1H J 27 | 45 45 d 2H J 27 | 37 36 dq 2H J 63 114 | 36 35 dq 2H J 63 114 | 23 23 t 2H J 71 | 17 16 m 2H | 12 12 t 6H J 63 | 9 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C(=O)c1cn(-c2cccc(-c3ccccc3Cl)c2)cn1
ir: 1 1 2 1 2 6 2 2 1 1 1 0 0 1 3 1 0 1 2 4 2 2 1 1 1 1 1 3 3 1 1 2 5 5 3 1 1 3 6 14 12 12 48 21 12 13 9 13 12 2 2 1 1 0 0 0 0 1 1 1 0 0 3 3 2 8 4 4 5 6 5 1 2 7 19 9 3 2 5 13 15 11 7 4 5 4 1 2 1 1 1 3 3 1 1 4 5 2 1 1 1 1 1 2 2 0 1 1 0 0 1 1 5 3 5 4 2 3 2 1 4 3 3 1 2 5 5 8 9 2 8 7 4 4 2 13 42 17 14 14 6 7 2 1 2 3 14 14 6 5 3 8 1 3 4 2 2 3 2 1 1 0 1 3 4 1 0 1 26 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 0 1 1 0 0 0 1 1 0 2 2 2 2 8 14 14 100 50 51 13 3 4 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 18 | 82 82 d 1H J 16 | 80 80 dd 1H J 16 77 | 79 79 t 1H J 21 | 76 76 dd 1H J 12 74 | 75 73 m 9H | 71 70 dd 1H J 14 82 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(CO)(COC1CCC1)C1CCCCC1
ir: 20 19 25 27 23 19 26 6 15 14 17 35 22 15 18 18 7 14 5 4 3 10 5 4 4 4 7 4 4 4 6 4 3 5 5 1 3 6 7 3 5 4 5 1 2 4 4 1 2 5 6 9 17 10 3 3 6 12 6 4 5 6 5 5 5 11 19 20 9 8 7 3 4 10 6 9 8 7 12 19 14 10 11 27 28 9 8 13 53 83 100 57 7 13 8 7 8 15 12 12 11 17 14 9 6 3 4 4 4 5 2 12 14 9 6 7 10 5 2 7 4 3 1 5 4 3 1 3 5 6 7 4 5 7 13 4 4 2 3 4 3 1 2 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 2 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 2 3 2 2 2 4 3 1 2 5 4 7 11 13 16 7 5 8 5 11 16 29 14 4 3 3 3 3 4 0 92 51 19 7 2 1 3 4 1 1 3 3 1 2 3 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3; 1HNMR: 39 38 p 1H J 35 | 38 38 dd 1H J 58 113 | 37 36 dd 2H J 114 192 | 36 35 dd 1H J 59 112 | 34 33 m 4H | 32 31 t 1H J 59 | 20 19 m 2H | 18 16 m 4H | 16 15 m 1H | 15 15 m 2H | 15 14 m 1H | 14 14 m 2H | 14 13 m 3H | 13 12 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)N1CC2CN(c3ccccc3CNc3ccc4c(=O)[nH]nc(Cl)c4c3)CC2C1
ir: 2 3 8 5 6 5 12 25 9 9 9 10 6 3 2 5 5 2 1 2 2 1 3 5 4 2 2 5 2 1 1 3 2 0 9 2 2 1 1 2 1 2 13 15 3 3 2 7 40 100 10 4 1 0 1 3 4 1 3 2 2 2 3 2 1 1 3 12 4 2 2 3 2 1 2 2 1 1 2 1 1 1 2 2 1 1 1 2 1 3 15 8 6 6 2 3 2 1 2 2 1 2 7 11 1 1 5 3 6 2 3 2 1 4 5 11 6 7 9 7 2 5 6 7 3 3 4 2 4 7 5 2 3 24 3 4 3 23 7 3 2 3 41 3 8 12 15 4 5 6 4 63 8 2 2 3 1 1 1 1 6 44 2 0 11 4 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 2 4 4 10 5 14 27 10 6 2 3 1 0 2 2 1 1 1 2 1 1 2 2 2 1 2 2 4 3 4 9 37 47 15 3 2 2 2 1 1 1 2 1 1 1 1 1 1 1 2 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 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; 1HNMR: 81 80 d 1H J 85 | 72 72 ddt 1H J 9 18 82 | 72 71 td 1H J 17 76 | 69 68 m 2H | 68 67 d 1H J 22 | 67 66 dd 1H J 14 73 | 61 60 t 1H J 58 | 46 45 dd 2H J 9 58 | 38 37 dt 2H J 13 112 | 37 36 dt 2H J 12 114 | 36 35 dt 2H J 13 112 | 35 34 m 2H | 25 24 tq 2H J 11 22 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(NC(=O)c2nc(-c3cccc(C#N)c3)sc2N)c1N1CCC(CN)CC1
ir: 2 2 1 1 1 1 1 2 1 2 2 4 7 2 2 2 2 2 7 4 2 3 4 3 2 2 1 1 2 2 1 1 5 4 3 11 3 1 1 1 2 2 3 1 1 1 2 1 10 17 2 2 1 6 10 11 6 3 2 2 9 0 2 4 2 1 3 3 2 7 6 8 5 18 11 10 15 3 4 16 5 2 5 3 1 1 2 3 1 1 1 2 2 2 2 2 3 2 4 2 5 2 2 2 1 1 2 2 1 2 4 6 3 2 4 3 1 4 4 2 8 4 4 9 8 6 7 11 18 10 11 17 5 7 12 14 3 1 1 2 10 2 2 2 2 3 9 3 2 1 1 1 2 2 5 1 1 1 1 6 2 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 4 10 1 3 2 1 1 1 1 2 2 2 3 10 8 23 9 9 18 4 4 3 100 31 7 21 8 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 89 s 1H | 81 80 t 1H J 21 | 80 79 ddd 1H J 11 21 73 | 77 76 ddd 1H J 12 21 64 | 76 76 s 1H | 76 75 dd 1H J 65 74 | 62 62 s 2H | 39 39 s 2H | 37 36 dddd 2H J 21 52 84 103 | 35 34 m 2H | 27 26 td 2H J 42 63 | 20 19 m 2H | 17 16 m 3H | 14 13 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(Cl)c2n1CCN(C(=O)OC(C)(C)C)C2COc1ccc(C(F)(F)F)cc1
ir: 0 3 6 5 2 5 3 2 3 9 30 9 12 16 5 5 5 3 3 3 3 19 5 3 2 3 3 3 3 5 5 0 2 3 3 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 6 41 13 29 9 5 3 0 2 7 3 0 2 4 13 1 4 4 4 2 4 3 3 0 2 3 1 1 2 3 1 1 4 5 6 3 3 3 1 2 3 4 6 2 4 7 11 35 14 2 4 2 3 3 1 3 3 3 0 4 100 11 2 6 10 7 4 12 9 5 7 6 6 8 12 9 6 7 9 6 8 8 5 4 3 2 2 19 25 4 2 4 3 2 1 4 16 11 10 53 6 4 2 3 2 1 1 2 2 0 3 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 4 2 2 3 3 1 3 4 3 1 3 6 6 11 16 7 8 26 8 5 3 3 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2; 1HNMR: 76 76 dq 2H J 13 74 | 71 70 m 2H | 53 52 t 1H J 56 | 48 47 dd 1H J 55 104 | 45 45 dd 1H J 55 104 | 43 42 m 2H | 40 39 ddd 1H J 27 46 115 | 39 38 ddd 1H J 26 45 113 | 28 27 q 2H J 71 | 15 14 s 8H | 13 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C[C@@H](NC(=O)N[C@H](C)C2CCCCC2)c2nc3ccccc3[nH]2)cc1
ir: 0 0 1 2 0 1 1 1 1 1 1 1 2 2 1 1 1 2 3 1 0 2 8 4 4 1 2 1 1 1 4 3 1 6 3 6 2 3 2 3 3 13 27 14 1 2 2 1 1 1 1 2 1 0 4 8 2 1 3 1 1 2 1 1 0 1 0 0 1 9 0 3 0 0 0 2 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 1 2 1 1 2 1 0 1 1 1 1 2 3 2 3 1 3 3 1 0 2 2 1 1 3 2 1 1 1 1 1 0 1 0 1 0 1 2 1 12 1 1 0 0 2 1 0 1 2 2 4 10 1 7 4 100 9 4 3 1 0 0 1 0 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 1 2 3 1 2 14 4 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 1 3 4 7 15 28 6 11 3 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 1H | 75 74 m 1H | 73 72 d 1H J 79 | 72 71 m 2H | 71 70 dq 2H J 9 81 | 69 68 m 2H | 56 55 d 1H J 86 | 53 52 dt 1H J 52 79 | 38 38 s 2H | 36 35 dp 1H J 58 86 | 33 33 ddt 1H J 9 53 150 | 31 30 ddt 1H J 9 52 150 | 18 17 dqdd 1H J 15 45 60 75 | 16 13 m 11H | 12 11 dd 3H J 15 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(=O)Nc1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1
ir: 5 4 4 4 2 1 3 1 3 3 3 3 3 2 2 2 1 2 2 2 1 1 2 2 2 2 1 1 0 1 2 0 1 3 12 3 17 13 7 4 2 5 4 2 2 3 5 13 3 3 8 8 3 6 4 1 1 1 1 0 2 1 1 1 2 3 2 5 5 2 3 9 6 2 3 4 5 2 3 5 9 5 2 1 1 1 1 1 3 3 2 1 3 5 7 10 3 2 3 3 7 17 15 4 12 13 5 21 8 10 6 9 6 10 12 3 3 8 10 9 6 6 2 4 4 7 3 5 4 4 12 7 2 4 6 4 4 4 7 4 6 4 3 2 5 3 4 7 9 3 2 2 4 1 1 3 7 5 11 5 1 0 1 1 1 1 1 3 2 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 4 2 2 4 5 4 4 4 3 2 3 5 3 8 19 7 16 100 27 23 15 4 4 4 5 4 4 9 28 14 10 11 3 2 1 2 3 2 2 8 4 9 23 26 27 6 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 s 1H | 84 83 dd 2H J 24 44 | 80 80 dd 1H J 25 102 | 79 79 m 1H | 78 77 d 1H J 102 | 77 76 m 1H | 76 75 m 2H | 23 23 t 2H J 87 | 18 17 tt 2H J 66 86 | 15 13 m 2H | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1
ir: 7 15 23 26 22 12 8 11 1 5 7 4 3 2 3 6 1 5 4 3 1 1 3 3 1 2 1 2 2 1 2 1 1 3 3 4 3 1 3 2 1 1 1 5 2 2 2 1 2 2 2 5 7 31 49 21 13 5 13 20 17 15 14 7 28 7 2 1 3 16 2 2 1 1 1 2 6 17 16 3 7 5 1 1 1 7 7 6 9 6 8 15 8 8 9 9 2 5 8 11 18 10 3 3 1 3 8 1 1 1 1 1 1 1 1 0 0 0 1 1 2 1 1 1 1 1 2 2 1 1 1 1 0 1 1 0 0 0 0 0 0 1 1 1 1 1 2 3 4 22 48 18 15 10 3 10 83 64 21 12 2 1 2 5 3 1 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 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 3 6 10 15 23 25 36 8 3 3 2 2 1 1 1 0 0 0 1 0 0 0 2 17 27 3 1 1 0 0 0 2 2 7 7 100 89 10 8 3 2 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 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; 1HNMR: 69 69 m 2H | 69 68 m 5H | 68 67 m 2H | 41 41 s 2H | 38 38 s 3H | 33 33 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1OC)C(=O)OC21CNCc2ccccc21
ir: 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 1 0 1 3 0 0 0 1 1 3 3 2 1 0 0 1 13 19 1 1 2 3 4 1 1 0 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 1 1 11 9 1 1 0 4 4 0 0 0 1 1 0 0 0 0 1 4 5 2 0 0 1 0 0 2 7 0 0 1 2 0 0 1 2 4 5 1 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 2 1 1 7 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 7 100 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 72 m 3H | 69 68 d 1H J 84 | 40 39 m 2H | 39 38 d 5H J 152 | 38 37 dd 1H J 46 145 | 35 35 dd 1H J 46 145 | 32 32 p 1H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2nc([C@@H]3CC[C@@H](CN)CC3)n3ccnc(N)c23)ccc1Oc1ccccc1
ir: 14 8 5 3 7 4 3 8 3 9 20 12 2 9 7 9 8 6 10 12 10 15 10 10 8 7 4 2 2 8 10 8 20 19 15 11 6 7 13 26 14 5 11 17 6 8 9 26 11 10 5 10 8 3 28 23 19 8 5 1 3 5 3 1 5 6 13 22 21 23 17 23 15 26 11 5 5 17 19 8 7 17 5 5 9 3 2 5 6 6 6 3 4 6 2 2 5 2 1 2 3 2 2 2 4 5 2 4 5 2 3 3 5 7 8 5 5 5 3 4 4 7 15 19 8 14 6 10 5 5 8 14 53 56 55 27 15 10 4 21 18 3 7 21 11 12 2 3 4 11 12 22 22 19 100 7 4 8 9 21 12 3 2 3 2 2 2 2 2 2 1 2 2 1 3 2 1 1 2 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 3 3 3 4 3 1 5 4 4 9 11 9 11 27 52 17 12 14 3 2 2 2 4 4 4 2 6 10 43 14 7 24 14 6 5 15 11 7 7 4 1 2 15 32 52 19 1 1 5 3 0 1 4 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 66 | 75 74 dd 1H J 17 87 | 74 73 m 2H | 73 73 d 1H J 17 | 73 72 s 2H | 71 71 m 2H | 71 70 m 2H | 70 69 d 1H J 88 | 39 38 s 2H | 28 27 m 2H | 26 25 dtd 1H J 51 63 115 | 20 19 dddd 2H J 37 58 84 141 | 18 17 m 4H | 15 14 m 3H | 14 13 t 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)n1
ir: 1 2 2 2 2 4 6 23 1 7 3 11 5 2 2 2 1 2 3 1 0 2 2 1 0 3 2 1 1 3 7 4 1 3 4 11 6 4 2 0 3 4 10 1 2 4 2 10 22 3 1 1 2 2 1 1 1 3 1 0 1 2 1 1 2 2 2 6 13 12 1 1 4 9 14 2 4 8 10 3 2 2 1 1 2 2 1 2 13 4 2 8 2 1 1 2 2 2 1 1 2 2 0 1 18 2 0 1 2 2 0 5 13 4 1 2 6 6 0 2 4 8 3 2 5 2 1 3 12 54 4 2 2 3 3 2 2 1 2 14 17 3 26 2 9 10 4 2 8 1 1 6 6 2 5 4 6 1 1 2 1 1 1 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 3 3 9 7 100 38 9 8 9 3 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 77 77 t 1H J 21 | 76 76 ddd 1H J 11 20 73 | 75 74 m 8H | 44 44 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCC1(CO)COC(C)(C)OC1
ir: 0 0 0 1 1 1 1 1 5 3 1 1 0 1 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 4 2 1 1 3 1 1 0 0 0 1 1 1 1 1 3 6 2 1 2 5 6 25 5 13 7 1 1 2 3 2 1 1 1 1 1 4 1 2 3 1 1 0 0 0 0 0 1 0 1 1 1 0 1 1 1 0 1 1 2 4 1 0 0 0 1 1 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 2 2 1 1 1 3 2 2 6 4 7 4 1 1 3 5 4 2 5 25 100 6 3 3 1 1 2 1 1 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 57 56 m 1H | 51 49 m 2H | 38 37 d 2H J 115 | 37 36 d 2H J 57 | 36 35 d 2H J 114 | 29 28 t 1H J 56 | 21 20 tdt 2H J 15 66 79 | 16 15 td 2H J 9 78 | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1COc2c(N3CC4CC4(N)C3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23
ir: 1 2 2 1 1 1 2 2 1 2 4 3 2 11 2 3 6 3 20 14 5 65 24 5 2 1 2 1 2 3 1 1 1 2 2 2 3 2 1 0 2 3 1 1 1 1 2 3 3 3 20 7 2 3 3 1 4 20 7 6 8 4 3 6 6 4 4 3 1 2 2 2 3 3 11 7 4 6 3 1 1 2 2 2 2 2 1 5 7 4 1 4 2 4 7 2 1 5 1 1 3 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 0 6 6 9 3 2 2 9 2 2 4 2 2 4 10 20 6 3 2 1 1 1 1 2 6 1 1 3 1 1 3 58 2 1 2 2 2 7 6 41 3 2 1 100 7 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 3 2 3 1 2 2 4 2 2 1 1 1 17 23 2 4 3 3 8 3 5 3 11 2 4 28 6 2 2 1 1 2 2 2 77 6 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 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 d 1H J 18 | 65 65 d 2H J 46 | 43 42 m 1H | 42 42 dd 1H J 35 99 | 40 39 dd 1H J 62 99 | 39 38 dd 1H J 19 113 | 37 36 m 2H | 35 34 d 1H J 125 | 20 19 ddd 1H J 18 27 44 | 18 18 dd 1H J 27 81 | 16 15 dd 1H J 27 81 | 13 12 d 3H J 86 | 10 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc(CC)c1-c1nc(C)c(CN(C)[C@H]2CCCc3ccccc32)c(O)n1
ir: 2 1 1 1 3 1 1 3 0 2 3 2 2 1 1 4 3 1 1 2 1 2 2 1 5 3 2 3 1 1 3 3 6 5 8 11 7 10 9 9 17 10 9 21 4 6 3 15 3 15 12 23 4 6 7 2 2 10 6 3 2 0 1 1 2 2 2 3 4 6 2 2 1 6 4 5 4 1 1 1 1 1 1 2 1 1 2 2 12 4 27 9 4 8 2 5 10 6 5 3 2 2 2 7 1 3 1 3 5 3 6 4 5 5 5 2 8 3 5 2 8 2 2 5 4 1 1 2 3 2 1 1 4 1 2 1 1 4 7 2 7 3 30 10 2 2 2 0 2 9 100 35 3 1 0 2 1 12 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 2 1 1 2 1 1 2 2 8 5 3 9 37 18 49 76 48 5 9 5 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 8H | 41 41 d 1H J 178 | 39 39 d 1H J 178 | 38 38 m 1H | 29 28 m 1H | 28 27 m 1H | 28 27 qd 4H J 9 73 | 25 25 s 2H | 24 23 d 3H J 14 | 21 20 dddd 1H J 58 72 82 126 | 20 19 m 1H | 18 17 m 2H | 13 12 t 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3CC(C)(C)CC3=O)cc2)CC1
ir: 15 3 3 4 4 12 3 5 15 5 10 5 1 3 1 3 4 9 29 6 4 5 11 32 31 10 2 4 4 6 7 4 8 11 6 12 9 28 47 32 16 1 10 6 5 3 13 8 2 5 2 6 4 11 13 34 40 15 47 18 8 8 9 10 13 15 3 2 7 13 9 6 2 1 2 1 2 2 3 4 6 0 3 4 8 10 11 19 24 10 21 15 7 9 10 7 17 10 4 6 5 10 8 10 7 28 28 8 1 2 2 7 3 18 25 11 3 26 23 30 38 26 39 12 15 15 28 14 14 26 9 8 6 10 33 9 2 4 21 48 26 2 7 9 12 46 9 53 62 41 100 37 76 46 4 4 2 2 6 3 2 2 3 18 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 2 4 2 1 4 4 9 1 2 4 5 2 9 13 28 19 30 99 22 20 11 2 12 4 1 2 2 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 80 80 m 1H | 78 78 m 2H | 74 73 m 2H | 73 73 dt 1H J 8 17 | 39 39 s 2H | 37 36 m 4H | 36 36 m 4H | 28 28 m 1H | 22 22 d 4H J 113 | 14 13 m 2H | 11 10 m 2H | 11 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC/C=C/c1nc(N)c2nc(NCCC)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
ir: 10 12 5 19 9 11 10 8 16 14 24 19 14 10 1 8 4 6 3 5 5 14 8 6 4 3 3 4 10 9 4 2 4 3 3 3 2 4 3 3 2 3 3 4 3 4 4 1 9 8 5 6 7 2 2 1 2 4 3 1 3 5 4 2 4 1 8 7 5 5 3 3 3 4 4 3 5 16 9 2 4 3 2 1 7 13 9 12 8 17 25 18 3 2 1 5 4 7 33 11 5 5 2 3 3 1 1 3 3 4 2 4 3 3 5 2 4 5 3 7 7 10 14 6 3 3 3 1 2 2 2 3 3 1 1 1 1 1 1 2 3 8 12 10 25 2 7 5 5 43 39 18 10 26 22 3 3 0 1 1 1 1 4 3 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 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 0 0 1 0 0 1 1 0 1 1 0 1 1 1 1 1 1 2 1 2 3 5 3 2 3 3 2 5 6 5 3 11 7 4 7 5 5 4 12 38 19 83 73 100 35 13 6 5 2 3 5 4 33 13 4 4 1 3 5 7 12 2 3 4 11 54 3 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 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; 1HNMR: 70 69 s 2H | 62 62 dt 1H J 10 57 | 62 61 dt 1H J 13 148 | 60 59 dtt 1H J 8 64 148 | 57 57 t 1H J 43 | 56 55 d 1H J 53 | 54 53 t 1H J 45 | 52 52 d 1H J 46 | 48 47 qd 1H J 7 55 | 42 41 m 1H | 41 40 qt 1H J 11 33 | 38 38 dddd 1H J 17 35 44 121 | 36 35 dddd 1H J 18 36 46 123 | 35 35 td 2H J 43 52 | 25 24 tdd 2H J 13 64 79 | 17 16 qt 2H J 52 70 | 14 13 m 5H | 10 10 t 3H J 70 | 9 8 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(OCc3ccccc3)cc2)c1C
ir: 2 4 5 8 4 7 5 4 3 5 6 3 8 9 8 5 3 3 5 3 3 4 5 8 5 4 4 3 6 6 8 7 6 5 8 4 7 8 42 70 79 22 5 0 3 7 5 2 6 19 5 1 4 25 60 13 9 9 5 6 7 6 5 4 5 9 10 22 9 10 5 6 7 5 3 4 5 18 13 6 5 5 3 8 11 4 4 13 13 6 3 3 5 4 3 3 5 7 9 9 6 7 3 4 5 5 6 5 14 5 4 7 6 21 10 18 15 12 8 16 14 8 6 17 9 6 9 14 11 4 3 5 9 4 15 21 10 8 3 6 6 4 15 41 65 11 9 9 24 17 7 18 29 14 6 5 4 2 3 4 4 2 4 5 3 2 26 5 3 2 3 5 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 2 2 4 4 2 3 4 4 2 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 3 2 4 4 3 3 5 4 2 3 9 9 3 6 5 5 5 8 8 5 6 5 6 10 24 25 36 57 100 29 10 11 9 6 6 6 2 5 5 3 4 3 4 3 3 4 4 3 2 3 4 3 2 4 3 2 3 4 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 78 78 d 1H J 85 | 77 76 d 1H J 21 | 75 75 m 2H | 75 75 dd 1H J 21 85 | 74 74 m 2H | 74 73 m 2H | 73 73 m 1H | 71 70 m 2H | 51 50 t 2H J 9 | 45 44 q 2H J 63 | 26 26 s 2H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12
ir: 3 4 2 6 4 2 4 2 2 2 5 3 6 6 2 2 2 3 2 2 2 2 15 7 1 5 5 3 15 16 5 3 3 23 4 3 15 4 2 2 3 2 2 2 2 2 10 5 2 2 3 2 2 3 10 36 6 4 2 1 2 4 3 2 2 2 2 1 3 5 2 2 3 9 19 5 5 5 2 2 2 2 2 2 12 4 3 12 3 3 3 2 2 2 3 7 13 10 22 54 4 3 1 2 2 2 1 2 2 2 2 5 3 2 4 2 6 6 4 3 16 4 5 12 45 100 6 4 10 7 3 14 17 2 4 5 2 2 2 2 2 2 2 2 25 4 13 12 8 6 3 1 6 2 23 3 1 12 15 15 3 0 2 29 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 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 3 3 1 2 2 2 2 2 2 2 2 3 3 3 6 5 9 46 16 12 31 8 4 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 85 85 s 1H | 82 81 q 1H J 17 | 78 78 m 2H | 77 76 m 2H | 43 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CC(=O)NC1=O
ir: 6 3 2 3 4 2 2 3 3 2 2 3 3 3 2 5 3 3 2 6 3 2 2 3 3 2 2 4 3 2 2 3 3 2 2 3 3 3 3 4 4 7 19 9 13 41 2 5 12 6 5 2 10 0 3 5 4 3 4 5 3 1 3 4 3 2 3 4 3 2 5 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 2 2 4 3 2 3 4 3 2 3 5 3 2 3 3 3 3 6 8 11 7 5 5 4 4 4 4 5 4 7 5 3 2 3 3 3 2 4 4 3 2 3 3 2 2 3 3 3 3 17 7 4 2 4 3 2 3 4 3 3 3 3 36 100 5 7 4 1 3 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 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 4 3 1 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 3 3 4 4 3 6 11 4 6 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 5 32 12 11 8 4 3 2 2 3 3 2 2 3 3 2 2 4 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 91 90 s 1H | 30 29 m 1H | 27 26 dd 1H J 62 159 | 24 24 dd 1H J 64 159 | 18 17 dqd 1H J 51 73 136 | 15 14 dqd 1H J 51 74 137 | 10 9 td 3H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(N=O)c(=O)[nH]c(=S)n1-c1cnc2ccccc2c1
ir: 10 13 15 10 3 14 13 11 17 7 12 5 4 7 14 9 10 15 10 5 8 5 4 10 11 6 66 23 21 12 9 34 22 33 15 10 13 7 10 7 6 20 100 18 9 12 20 58 11 4 4 5 4 3 3 5 6 4 5 30 8 4 4 5 4 1 3 3 2 3 4 3 4 8 5 27 9 25 10 2 7 2 2 3 5 3 3 3 2 3 9 4 19 5 5 6 2 15 6 10 5 3 5 12 4 4 5 4 2 3 10 2 2 3 3 2 1 2 5 3 6 3 4 16 3 3 3 4 2 3 3 2 1 3 3 3 3 25 6 1 0 4 6 27 6 37 21 92 28 60 44 16 16 10 10 27 49 95 38 12 5 0 4 4 3 1 5 4 2 1 2 3 2 1 2 3 2 2 3 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 4 2 2 2 3 2 2 2 5 3 3 4 5 4 6 16 40 33 7 8 10 4 3 4 4 7 46 76 20 5 4 4 2 5 10 38 6 2 2 3 3 2 1 3 4 0 2 77 46 7 3 0 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 88 88 d 1H J 18 | 85 85 t 1H J 19 | 80 80 m 1H | 77 77 m 1H | 76 76 td 1H J 11 76 | 74 74 td 1H J 16 84 | 68 68 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCc1cccc(N(C)C)c1)CCN1c2ccccc2COc2ccccc21
ir: 2 5 3 2 2 1 5 6 2 2 3 2 1 2 2 1 1 5 1 4 1 1 1 0 1 2 3 2 1 4 8 6 2 1 2 1 1 1 2 4 3 12 35 100 8 5 16 32 4 1 1 2 1 1 2 3 2 1 1 3 1 1 3 2 3 4 4 5 8 9 4 6 6 4 7 6 3 15 5 3 3 2 2 4 9 5 7 9 7 15 16 4 4 5 5 4 3 2 2 2 2 7 2 2 5 5 2 1 2 1 1 1 0 1 1 1 1 1 2 1 2 2 1 3 1 1 2 1 1 2 1 2 1 1 1 1 3 25 5 3 3 5 5 7 11 8 3 1 9 7 2 1 1 2 2 4 12 2 2 2 2 4 5 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 2 3 5 8 13 40 40 24 4 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 72 ddd 1H J 37 57 71 | 72 71 m 4H | 69 68 m 3H | 67 66 m 2H | 53 53 d 2H J 5 | 39 39 t 2H J 61 | 29 29 s 5H | 29 29 t 2H J 61 | 28 28 td 2H J 8 58 | 27 27 ddd 2H J 9 54 66 | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC1CN(C(=O)OC(C)(C)C)C1
ir: 3 7 1 2 4 3 2 5 6 5 4 2 3 2 6 2 1 2 6 3 5 3 1 2 2 2 1 1 1 3 1 1 1 0 1 2 3 3 5 3 5 6 6 6 11 9 14 10 4 3 1 2 2 4 9 3 11 13 7 13 4 5 2 1 2 1 4 3 4 6 1 6 3 2 4 3 2 2 1 1 1 2 4 3 3 3 1 1 3 1 0 1 2 2 5 8 12 1 2 3 5 5 2 8 2 1 4 8 3 2 1 3 12 19 69 22 12 100 1 9 4 5 2 1 2 2 4 8 6 5 4 5 4 3 4 5 5 5 4 5 2 1 1 1 2 14 5 16 13 5 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 2 1 1 1 2 1 2 2 1 2 2 4 11 9 5 4 4 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 3 7 11 25 13 36 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 q 2H J 66 | 39 38 dd 2H J 29 107 | 37 36 dd 2H J 28 107 | 35 34 m 3H | 28 28 dt 1H J 51 68 | 15 14 s 8H | 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.