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COC(=O)CCc1ccc(N2CCN(c3ccc(C4(NC(=O)OC(C)(C)C)CC4)cc3)C2=O)cc1
ir: 7 3 4 4 3 2 1 2 1 3 3 2 1 2 5 3 4 2 6 9 3 4 4 6 4 3 4 4 3 4 100 7 3 3 4 5 6 7 33 3 2 1 2 2 2 2 2 2 2 2 5 9 4 2 10 17 20 4 4 2 4 5 4 2 2 1 2 2 2 12 3 7 2 1 1 1 2 2 2 4 2 1 2 2 4 2 2 3 7 5 2 4 4 2 3 3 5 4 5 3 2 4 4 3 3 1 2 2 2 2 2 2 13 10 5 6 5 3 3 7 3 6 5 11 7 7 4 3 3 6 5 5 1 3 2 2 1 3 3 0 1 4 7 12 98 63 4 9 9 33 22 20 23 9 28 41 7 1 2 3 2 0 3 6 2 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 2 3 2 2 1 3 4 9 12 41 9 29 48 15 11 6 3 7 4 2 3 1 2 4 2 2 2 1 2 2 4 2 1 2 5 5 16 32 11 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 2H | 72 72 m 2H | 71 71 s 4H | 64 64 s 1H | 40 40 s 4H | 37 36 s 3H | 29 28 td 2H J 11 80 | 28 27 td 2H J 10 82 | 19 18 m 2H | 16 15 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1Cc2c(c(-c3ccccc3)c3c(c2-c2ccccc2)CCC3)C1=O
ir: 0 0 1 1 1 1 1 1 1 2 5 2 1 1 1 1 1 1 1 1 2 1 0 1 1 0 0 2 2 4 6 6 10 5 1 2 3 2 9 50 22 11 2 10 1 3 3 2 1 1 1 0 0 1 1 0 0 1 1 0 2 1 1 1 2 1 1 1 8 4 1 0 3 2 1 1 5 7 1 1 1 5 9 0 1 1 0 0 1 2 0 0 1 1 0 1 1 1 0 1 2 1 1 1 7 2 5 6 4 2 3 3 1 4 2 2 1 1 2 2 4 5 4 3 1 1 1 2 1 1 2 2 2 5 22 4 2 1 0 1 1 6 6 11 8 3 2 2 2 1 11 4 1 4 6 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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 1 1 2 1 2 2 2 3 3 7 3 5 13 9 27 100 11 12 11 3 2 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 76 76 m 2H | 75 75 dd 2H J 15 78 | 75 74 m 4H | 74 73 m 2H | 34 33 h 1H J 60 | 31 30 m 4H | 30 29 dd 1H J 59 151 | 27 27 dd 1H J 59 152 | 24 22 m 2H | 12 12 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2c(CCc3cccnc3)n[nH]c2c2cccnc2n1-c1ccccc1
ir: 18 20 21 29 24 24 18 18 18 18 18 18 21 21 19 19 40 19 18 18 19 18 19 18 19 18 21 22 20 19 36 24 22 27 43 20 18 81 44 24 24 20 21 19 21 21 21 42 30 35 28 33 44 22 21 31 23 20 20 23 22 40 27 20 24 20 19 18 21 24 26 21 18 18 18 20 22 21 23 24 21 18 18 18 18 18 18 20 18 18 19 23 21 19 18 18 47 21 23 19 21 26 21 22 22 28 19 18 18 18 19 27 33 22 21 19 18 25 23 18 20 28 25 26 21 19 19 18 19 19 19 20 18 46 22 29 20 21 40 52 18 30 21 30 23 23 19 19 19 34 20 44 73 22 20 22 21 0 97 17 40 31 87 31 19 19 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 18 18 18 18 17 18 18 17 17 18 18 17 18 18 18 17 18 18 18 17 18 18 18 17 17 18 18 17 18 18 18 17 18 18 18 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 18 18 18 18 18 18 18 18 18 19 18 20 18 19 18 18 19 24 27 31 33 100 46 24 20 20 19 18 19 18 18 17 18 18 18 17 18 18 18 18 18 18 18 18 20 19 24 33 45 24 20 18 19 19 17 17 18 18 18 17 18 18 17 17 18 18 17 17 18 18 17 18 18 17 17 18 18 18 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17 17 18 18 17; 1HNMR: 87 86 dd 1H J 22 46 | 84 84 m 2H | 83 82 dd 1H J 20 79 | 75 75 m 3H | 75 73 m 4H | 72 71 dd 1H J 43 76 | 35 34 t 2H J 88 | 30 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)c1ccc(C(N)=O)cc1S(N)(=O)=O
ir: 9 11 14 8 7 7 11 11 15 6 8 7 11 16 30 29 9 9 9 8 8 23 7 6 5 8 6 6 5 7 7 5 10 10 11 18 20 28 21 19 30 30 9 5 6 7 6 4 5 9 7 5 6 7 6 7 12 8 5 7 10 8 7 7 17 17 11 12 9 15 13 8 9 16 12 6 7 10 14 19 86 47 56 62 14 55 26 100 67 27 9 9 11 16 6 8 9 6 6 8 9 8 5 6 10 6 4 6 8 7 6 8 12 16 16 46 19 70 26 23 16 22 11 9 12 7 6 9 11 8 12 15 12 7 5 8 7 4 4 7 14 25 17 16 8 8 21 14 10 6 6 8 9 4 8 15 7 0 83 6 6 7 7 9 6 5 6 6 5 4 5 7 5 4 6 7 5 4 6 7 5 4 6 6 5 4 5 6 5 4 6 7 5 4 6 6 4 4 6 6 5 4 6 6 4 4 6 6 4 4 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 5 6 6 5 4 6 6 4 4 6 6 4 5 6 6 4 4 6 6 4 5 6 6 5 5 6 6 5 6 8 6 4 6 7 6 6 7 8 11 28 10 9 6 5 6 7 5 5 6 6 6 5 7 8 6 7 9 87 72 11 10 10 13 32 33 14 8 5 9 63 53 7 5 6 6 5 6 6 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 6 6 5 4 5 6 5 5 6 5 4 4 6 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6; 1HNMR: 85 85 d 1H J 22 | 80 80 d 1H J 84 | 80 79 dd 1H J 22 84 | 73 73 s 2H | 73 73 s 2H | 30 30 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
ir: 8 5 4 3 2 4 2 6 2 4 10 16 18 12 5 9 7 7 12 30 22 21 16 30 36 27 26 20 14 9 6 2 4 8 14 18 2 5 7 14 11 15 7 5 6 4 2 7 3 2 4 3 2 5 15 8 2 1 2 2 2 2 1 2 2 1 2 2 10 16 3 3 1 2 12 4 11 10 8 41 18 11 8 4 2 4 3 6 5 2 4 3 1 1 3 3 0 2 48 45 19 15 1 5 33 5 3 2 5 7 40 22 8 5 12 8 9 5 2 9 11 26 15 20 43 28 12 10 5 3 3 3 2 2 3 3 6 8 18 11 5 14 23 18 7 7 19 24 17 23 7 5 11 7 2 3 3 1 2 2 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 4 3 3 2 1 2 1 3 3 5 3 8 31 16 4 2 2 1 1 4 10 19 100 6 1 3 4 2 2 3 4 4 3 9 5 22 58 24 19 9 5 3 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 h 1H J 12 | 79 79 t 1H J 66 | 79 78 td 2H J 8 17 | 40 39 d 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cnc2cc(C3=CCOCC3)ccc12
ir: 7 10 26 8 3 2 1 2 3 2 5 5 4 3 18 15 4 4 5 6 5 7 5 4 13 5 10 6 5 2 1 2 2 2 8 31 18 7 5 3 6 2 5 20 34 74 23 7 7 15 28 15 18 5 16 22 27 7 2 0 2 3 3 4 9 21 13 20 47 12 7 5 4 8 13 5 5 11 2 2 2 4 3 1 1 1 1 1 2 4 2 3 3 2 3 3 9 12 10 8 1 1 3 2 3 1 1 1 1 1 2 1 3 11 8 6 11 4 14 8 5 4 5 8 4 4 3 6 6 7 5 27 100 40 17 3 4 2 2 1 3 3 6 13 15 7 4 2 19 25 25 6 3 2 7 15 7 5 6 8 64 55 4 0 31 43 2 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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 4 4 4 3 2 2 3 3 4 14 8 13 33 27 26 11 6 2 2 1 2 2 1 1 2 3 2 2 2 3 2 3 4 6 6 15 49 50 23 13 5 3 4 2 2 3 4 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 85 d 1H J 70 | 81 81 d 1H J 81 | 74 74 d 1H J 21 | 74 73 dd 1H J 22 81 | 61 61 tt 1H J 9 33 | 41 41 dt 2H J 9 33 | 37 37 m 2H | 29 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC[C@@H]1C[C@@H]1c1cccc2c1CCO2
ir: 2 1 1 2 2 1 1 2 3 2 1 2 2 1 1 1 1 1 2 4 5 3 1 2 2 2 4 4 5 8 11 24 100 4 6 2 7 2 1 1 2 2 2 2 2 2 14 3 9 23 9 6 2 0 3 3 1 1 1 2 1 0 1 2 3 3 3 2 2 0 6 2 1 2 5 3 1 0 1 2 1 1 2 2 1 4 2 2 6 7 4 2 2 2 2 2 0 1 2 1 0 0 2 1 0 1 2 5 5 3 3 3 1 2 3 2 3 6 5 4 4 4 4 14 5 6 2 1 0 1 2 1 0 2 4 1 2 3 3 7 3 4 7 9 13 18 27 13 16 46 6 1 2 2 2 1 4 4 1 0 4 10 2 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 1 1 1 1 0 1 2 1 1 1 3 2 1 1 2 2 3 3 9 8 2 22 13 17 5 4 2 4 1 1 2 1 1 1 1 1 1 1 1 1 1 2 3 4 12 13 5 9 5 24 6 5 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 71 t 1H J 82 | 69 69 dt 1H J 9 83 | 68 67 dd 1H J 13 80 | 61 61 t 1H J 56 | 45 44 m 2H | 33 32 ddd 1H J 47 56 124 | 32 31 ddd 1H J 35 50 163 | 31 30 m 2H | 20 20 s 2H | 20 19 m 1H | 17 16 m 1H | 13 12 ddd 1H J 61 73 82 | 10 10 ddd 1H J 63 71 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(-c2ncc(CC#N)s2)cc1
ir: 2 1 2 5 3 4 2 3 2 4 4 8 6 8 3 6 15 16 22 24 1 5 2 1 1 1 1 1 0 1 1 0 1 1 1 1 1 2 2 13 10 12 4 2 2 7 19 23 12 14 22 6 17 49 50 63 23 18 48 10 15 50 43 14 17 7 2 0 3 28 3 4 1 0 1 2 2 11 5 15 9 4 2 1 2 2 2 2 1 3 7 12 5 3 4 6 4 4 12 22 5 13 7 2 3 1 1 1 2 2 2 6 7 14 37 11 10 16 24 24 39 22 12 11 14 11 17 12 9 24 22 24 14 15 7 2 2 1 1 1 1 1 0 1 1 1 1 1 2 1 3 7 28 19 13 2 2 1 2 1 1 1 1 1 0 0 0 0 1 0 1 0 1 1 1 1 0 0 1 2 0 0 0 1 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 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 1 1 1 0 0 1 0 1 0 1 1 2 2 3 8 5 9 16 11 7 2 8 3 6 4 2 17 32 100 76 30 60 78 56 60 77 10 5 1 2 3 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 76 76 d 1H J 9 | 74 74 m 2H | 41 40 d 2H J 9 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Br)c(Oc2ccc(C#N)cc2)c1C1CCCC1
ir: 0 2 3 1 0 2 3 2 1 2 3 2 0 2 2 1 0 2 3 1 1 2 4 1 20 16 5 5 1 2 3 1 1 5 4 6 3 29 3 0 1 2 3 7 2 2 3 1 2 3 1 1 2 13 20 10 27 12 5 3 3 9 5 2 3 3 1 1 2 8 4 4 3 4 3 1 5 5 2 1 2 2 1 1 2 2 7 2 6 3 1 1 3 2 1 2 3 4 3 5 4 2 1 1 2 2 6 2 4 3 2 3 8 4 2 2 4 2 1 2 4 1 2 2 4 4 27 3 2 1 0 2 3 1 2 3 2 1 1 2 3 1 9 6 6 0 63 7 0 4 2 3 12 4 2 2 2 1 2 8 11 2 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 4 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 3 2 2 3 3 2 2 4 6 4 6 4 7 29 100 12 9 7 5 4 6 2 0 3 3 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 77 m 2H | 74 74 d 1H J 86 | 71 71 m 2H | 67 66 d 1H J 86 | 39 38 s 3H | 30 29 p 1H J 49 | 20 19 m 2H | 18 16 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(c2ccccc2NC(=O)C(C)(C)C)CCC1
ir: 6 12 15 4 2 5 4 11 3 3 5 8 1 3 3 2 2 7 13 4 1 2 1 2 2 2 5 9 6 3 2 1 4 6 10 24 31 7 12 44 28 10 70 98 32 19 8 5 6 4 2 2 2 2 2 5 7 9 2 2 4 20 9 13 2 3 2 0 2 2 3 4 6 11 11 18 6 3 1 1 2 5 13 16 6 4 6 5 3 2 2 1 2 4 13 10 18 11 3 2 3 3 9 11 6 11 17 30 8 6 3 10 24 14 7 5 4 4 6 3 7 6 4 4 7 5 2 5 5 6 15 26 20 1 2 5 7 41 2 50 54 14 7 5 5 8 38 39 76 36 14 30 28 14 21 4 20 12 2 2 9 21 4 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 4 2 3 7 3 3 6 10 4 3 4 3 5 11 71 78 12 14 100 48 27 4 0 2 3 1 1 1 2 1 0 1 2 1 1 2 2 2 4 5 11 20 47 30 44 8 5 3 3 1 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 s 1H | 78 78 dd 1H J 14 81 | 77 76 dd 1H J 16 82 | 74 73 td 1H J 16 80 | 72 72 td 1H J 14 80 | 42 41 q 2H J 71 | 32 32 dd 2H J 55 62 | 28 28 dd 2H J 53 61 | 15 15 p 2H J 58 | 12 12 d 2H J 70 | 12 12 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(C2CCNCC2)cc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1
ir: 3 2 2 3 1 13 7 7 2 5 8 12 3 8 3 6 8 9 7 5 8 7 4 5 3 3 3 5 7 7 6 7 13 10 4 3 6 5 22 17 43 17 11 8 58 8 5 4 4 13 5 4 7 4 5 3 3 13 2 4 1 4 2 2 1 2 7 15 4 12 2 2 3 3 3 1 3 1 1 1 1 2 1 1 1 1 1 1 2 3 3 3 5 10 19 24 9 4 4 3 4 4 2 1 1 1 2 3 6 4 8 22 3 4 5 7 7 7 1 5 3 2 2 4 4 2 11 2 6 10 3 14 2 2 2 11 8 1 1 1 2 3 22 12 9 18 17 4 15 20 41 20 11 4 9 18 4 1 1 4 8 1 1 33 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 2 1 1 1 0 1 1 3 1 1 3 2 1 1 2 5 3 11 47 20 6 5 43 35 14 5 1 1 1 1 1 1 1 2 1 4 12 49 35 7 3 4 6 13 10 5 1 2 4 100 1 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 80 79 m 2H | 75 75 m 2H | 75 74 d 1H J 86 | 74 72 m 6H | 66 65 s 2H | 49 49 m 1H | 42 41 ddd 1H J 42 55 123 | 39 39 ddd 1H J 42 55 125 | 31 31 dddd 2H J 27 38 53 134 | 30 29 m 1H | 30 29 t 1H J 57 | 28 28 dddd 2H J 27 38 55 134 | 25 24 p 1H J 39 | 22 22 dddd 2H J 27 54 64 144 | 19 18 dddd 2H J 27 54 62 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CCl)c(OCc2ccccc2)c1
ir: 3 5 4 9 18 13 13 6 3 8 5 2 2 2 3 2 2 2 4 12 8 7 4 3 5 3 2 2 2 2 8 10 4 9 4 6 3 3 4 9 21 4 4 6 5 3 7 2 2 2 2 2 4 2 7 31 4 3 3 1 2 2 6 5 3 4 16 22 18 14 5 2 2 2 2 5 2 3 4 3 6 2 2 1 2 2 2 3 11 6 2 3 3 5 3 2 2 6 4 2 4 12 9 3 3 2 2 3 4 5 2 2 2 2 7 14 11 9 5 7 8 5 8 5 4 6 16 30 13 12 3 2 2 2 4 29 4 2 3 2 2 5 38 81 39 35 0 5 4 1 4 19 4 2 2 4 3 1 1 2 2 1 1 3 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 3 8 5 3 3 2 3 4 5 4 24 44 26 100 51 16 5 3 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 77 dd 1H J 20 84 | 75 74 d 1H J 21 | 74 74 m 2H | 74 73 m 2H | 73 73 m 2H | 51 51 t 2H J 9 | 47 47 d 2H J 10 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)NC2CCN(c3nc[nH]c4nccc3-4)CC2)ccn1
ir: 9 7 7 7 7 7 8 8 7 7 6 21 29 18 9 7 10 10 8 8 8 14 9 10 7 7 7 9 8 16 10 20 15 13 7 8 9 10 11 44 9 10 11 6 7 8 7 6 7 8 10 9 8 10 14 0 41 6 9 7 9 7 7 8 22 8 12 12 11 7 7 7 8 8 15 18 7 8 7 8 9 10 7 6 7 8 8 11 7 8 18 7 7 12 10 13 8 8 9 7 14 7 7 8 8 8 6 10 8 26 22 10 10 9 19 8 7 8 9 7 7 9 13 16 11 16 17 11 14 15 6 8 8 7 7 9 10 31 13 8 7 8 14 10 24 20 100 12 8 13 61 19 10 20 20 7 8 7 7 8 7 8 39 22 8 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 6 6 6 6 6 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 6 6 6 6 7 6 6 6 6 7 6 6 7 8 6 7 8 7 7 8 9 7 11 14 8 9 27 24 15 13 11 14 7 7 6 7 6 7 6 7 7 7 7 7 7 7 7 7 7 12 13 28 26 43 10 8 7 7 6 9 7 6 6 7 7 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 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 6 6 6; 1HNMR: 84 83 d 1H J 73 | 82 82 d 1H J 47 | 78 77 d 1H J 73 | 77 77 dd 1H J 21 47 | 74 74 d 1H J 73 | 73 72 d 1H J 79 | 72 72 d 1H J 22 | 40 39 s 2H | 39 38 dp 1H J 45 77 | 37 35 dddd 4H J 58 83 122 377 | 22 21 dddd 2H J 46 59 84 131 | 19 18 dddd 2H J 46 59 84 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1O[C@@H]1CCN(C)[C@@H](C(N)=O)C1
ir: 2 3 3 3 4 7 7 3 4 3 5 10 6 6 6 6 5 5 13 4 3 5 3 13 16 11 6 13 11 4 6 11 63 6 6 3 3 4 4 3 4 4 2 1 4 6 5 2 4 33 100 11 4 0 7 2 2 2 2 2 4 2 3 2 3 2 2 3 12 5 3 3 8 5 7 7 9 3 6 6 7 3 4 5 3 2 2 2 3 2 2 3 4 6 2 4 3 5 23 5 4 3 3 3 3 2 2 2 5 7 4 19 3 3 2 3 4 4 6 3 3 5 2 3 3 3 7 4 2 3 2 2 3 6 2 2 2 3 2 2 17 11 3 2 16 7 5 2 2 10 3 3 15 5 4 7 22 97 0 19 10 2 2 3 2 1 2 33 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 3 8 4 7 25 17 7 4 2 2 2 2 2 2 3 2 2 2 2 2 2 3 4 3 2 3 4 4 22 48 24 12 16 9 14 9 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 87 86 s 1H | 85 85 d 1H J 37 | 76 75 s 1H | 73 73 ddd 1H J 15 38 86 | 72 72 ddd 1H J 15 36 90 | 72 71 m 2H | 64 64 s 2H | 48 47 m 1H | 39 39 s 2H | 34 33 dddd 1H J 15 34 53 95 | 30 29 ddd 1H J 62 90 123 | 28 27 ddd 1H J 62 89 121 | 25 24 ddd 1H J 53 66 135 | 23 23 d 3H J 14 | 23 21 m 2H | 20 19 ddt 1H J 61 90 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1cccc(C2CCN(C(=O)OCc3ccccc3)CC2)c1
ir: 1 2 3 3 4 6 10 6 6 9 6 3 2 2 2 2 2 1 3 4 5 14 22 6 6 2 1 2 2 3 2 6 3 1 1 1 1 1 3 3 12 3 3 2 3 4 2 5 2 1 1 1 1 0 0 1 2 1 1 0 0 0 0 0 1 1 1 4 2 7 1 1 0 1 1 2 2 4 12 9 6 2 2 1 1 1 1 2 8 6 3 2 1 0 1 1 1 2 2 2 2 3 2 3 1 1 2 1 1 2 3 3 1 1 1 1 4 6 3 3 10 5 5 4 2 2 1 2 4 2 2 1 3 5 1 4 6 8 2 1 3 13 9 42 17 6 2 1 1 2 6 11 4 1 1 3 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 1 0 1 2 1 4 12 2 13 33 9 8 3 1 1 3 2 14 81 100 25 11 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 4H J 42 | 73 73 m 1H | 73 72 m 1H | 72 71 m 3H | 52 51 s 2H | 38 37 ddd 2H J 57 84 122 | 35 35 m 3H | 35 35 m 1H | 28 27 m 1H | 22 21 ddt 2H J 56 84 130 | 19 18 ddt 2H J 55 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOCC(=O)c1cccc2ccccc12
ir: 0 1 1 1 2 2 6 1 1 1 4 8 8 2 2 2 3 4 3 1 3 14 4 2 1 1 2 6 1 1 1 0 1 1 3 3 7 13 1 2 3 3 3 5 17 100 6 4 7 5 5 5 1 2 1 0 1 1 0 0 1 1 2 2 2 2 1 2 3 4 1 4 7 3 3 2 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 3 4 4 2 1 4 5 1 1 2 1 1 6 4 3 5 3 1 2 3 2 3 1 1 2 1 2 5 4 1 2 3 5 5 2 4 2 3 1 3 1 3 9 6 9 7 3 1 4 18 16 2 3 4 7 21 5 2 8 11 1 1 1 1 1 4 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 2 2 1 2 1 1 1 1 2 2 5 3 13 16 41 21 3 5 3 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; 1HNMR: 80 79 m 4H | 76 75 m 3H | 49 48 s 2H | 36 35 t 2H J 66 | 17 16 p 2H J 67 | 14 13 h 2H J 70 | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1csc(C(=O)O)c1N(C)C
ir: 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 10 2 2 2 2 3 4 6 25 32 4 2 2 2 2 2 2 2 5 3 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 2 2 2 4 7 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 1 2 3 11 55 1 2 2 2 2 2 2 3 3 2 2 2 5 5 5 17 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 6 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 4 4 19 2 2 2 2 2 2 5 8 2 16 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 4 2 5 4 2 1 3 5 11 100 11 0 2 3 1 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 70 69 s 1H | 30 30 s 6H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)CN1CCC(COc2ccc(C3=CCN(S(C)(=O)=O)CC3)nc2)CC1
ir: 14 19 33 15 11 21 16 7 9 7 11 10 12 6 4 9 4 3 4 5 2 3 2 2 1 4 3 4 6 2 2 1 2 2 6 8 10 7 3 1 1 2 1 2 3 1 1 0 1 3 4 1 12 28 18 3 5 26 8 6 10 8 9 7 2 5 4 13 19 13 16 8 5 7 6 23 21 13 29 21 20 26 41 45 16 16 11 6 58 100 45 8 4 4 3 4 6 4 14 8 14 7 3 8 3 14 8 11 11 10 5 3 4 3 3 3 4 6 6 6 3 18 9 5 4 3 6 6 6 7 7 7 3 4 2 7 11 3 2 2 5 1 1 1 0 2 2 2 3 20 4 4 5 0 2 2 1 1 1 1 2 1 3 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 2 1 1 1 2 2 2 2 1 0 2 2 1 10 16 16 23 18 46 18 7 3 2 1 3 7 12 3 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 19 | 74 73 d 1H J 83 | 70 69 dd 1H J 20 84 | 66 65 tt 1H J 9 44 | 41 41 d 2H J 51 | 37 36 dt 2H J 11 46 | 35 34 m 2H | 31 30 m 2H | 29 29 ddd 2H J 51 77 119 | 29 28 m 5H | 27 27 d 2H J 139 | 21 21 m 1H | 20 19 dddd 2H J 50 59 77 127 | 17 16 dddd 2H J 50 60 77 126 | 13 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)SC1CC(C)OC(C)C1
ir: 8 5 0 7 10 14 25 22 3 7 9 11 9 7 5 2 2 5 10 33 25 9 3 5 5 1 2 4 8 11 13 8 6 1 1 3 3 1 2 4 5 2 3 4 4 3 6 5 5 2 5 5 9 11 7 5 3 1 4 19 6 6 5 5 4 1 9 12 7 4 8 12 6 14 16 16 8 36 29 23 21 11 6 5 4 8 36 28 14 4 3 4 4 3 8 7 7 16 25 37 27 26 16 19 14 27 17 14 27 16 14 6 10 7 3 4 15 16 9 19 48 40 24 11 18 14 11 7 16 16 17 18 22 10 13 24 49 100 98 25 6 3 3 2 3 4 4 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 2 2 3 3 2 1 3 3 2 2 4 4 2 2 4 6 17 14 9 9 6 19 17 12 18 11 31 30 48 14 97 79 38 23 4 4 11 8 6 3 3 3 3 2 3 3 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 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 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 41 40 h 2H J 49 | 31 30 p 1H J 59 | 24 24 s 2H | 20 20 ddd 2H J 46 59 130 | 18 17 ddd 2H J 48 59 132 | 13 12 d 6H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(O)nc(SCc2cccc(F)c2F)nc1[C@@H]1C[C@H]1C(=O)O
ir: 2 5 3 2 1 2 3 2 2 2 2 4 2 8 9 5 10 9 10 17 25 62 28 7 4 5 6 4 12 21 3 3 3 2 4 2 4 7 9 5 16 17 4 16 36 42 5 5 11 5 3 1 2 3 3 2 2 1 1 7 1 2 1 1 2 1 1 3 4 4 3 1 1 1 3 2 6 12 17 25 38 19 4 8 4 8 5 6 8 4 22 5 3 5 2 2 2 11 1 8 5 2 3 2 1 1 7 18 6 3 5 2 3 1 2 2 10 14 3 5 2 1 1 1 1 1 1 1 0 1 1 1 1 2 4 6 4 3 5 12 14 14 15 1 29 17 100 11 66 13 10 15 52 2 3 4 13 2 1 2 2 0 4 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 4 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 6 2 1 2 1 1 6 8 7 12 40 18 11 3 5 5 1 0 94 52 54 94 3 0 2 2 1 0 1 2 0 0 1 2 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 87 s 1H | 72 71 m 2H | 71 70 m 1H | 45 44 dd 2H J 7 37 | 30 30 ddd 1H J 55 64 93 | 26 25 td 1H J 80 91 | 18 18 ddd 1H J 65 81 93 | 16 15 td 1H J 55 91
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1ccc(C(F)(F)F)nc1C
ir: 11 8 12 16 15 16 15 24 18 21 6 9 2 8 12 12 15 24 24 16 17 25 12 31 48 8 4 7 5 12 8 12 17 8 15 28 28 23 7 6 34 46 37 27 25 27 14 25 7 14 6 11 7 19 25 5 18 7 6 7 3 8 2 3 6 2 8 9 25 19 13 17 16 11 6 4 7 3 12 37 9 4 2 2 2 2 2 5 5 9 4 6 5 10 19 7 6 11 12 27 23 11 3 5 5 5 9 3 3 14 10 6 12 7 12 29 15 39 14 21 18 33 33 20 20 9 24 10 8 9 4 4 4 18 6 6 29 10 36 13 46 22 18 43 59 14 15 5 60 39 12 7 21 31 13 70 26 25 9 37 34 5 2 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 0 1 1 0 0 1 0 0 1 0 0 1 0 0 0 1 0 1 1 0 1 1 2 2 3 5 2 4 7 8 4 8 5 6 4 7 9 12 75 29 18 41 11 10 6 3 2 1 2 3 1 1 2 1 3 3 3 4 5 4 8 15 13 19 36 69 100 51 28 6 7 4 5 2 4 2 1 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 82 t 1H J 70 | 81 80 s 1H | 80 79 d 1H J 106 | 76 75 dq 1H J 21 106 | 62 61 d 1H J 75 | 47 47 d 2H J 70 | 44 43 q 2H J 55 | 40 39 dp 1H J 48 75 | 38 37 ddd 2H J 29 57 119 | 35 34 ddd 2H J 29 57 117 | 28 27 q 2H J 75 | 26 26 s 2H | 21 20 dddd 2H J 28 49 57 137 | 18 17 dddd 2H J 28 49 55 136 | 16 15 t 3H J 56 | 13 13 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(CCC(=O)OCC)CC(N)(C(=O)OCC)C(=O)OCC
ir: 7 8 16 9 9 12 15 9 19 17 20 9 2 4 8 8 3 3 5 3 2 4 3 4 6 6 9 8 8 6 4 4 5 6 4 2 2 4 3 3 5 4 4 3 3 3 3 3 5 6 4 5 5 9 5 7 7 10 7 10 13 24 20 5 23 54 44 76 39 11 8 9 9 18 29 30 25 26 15 47 87 18 6 5 10 14 37 10 9 4 4 6 11 17 13 6 8 6 13 11 14 7 20 19 8 8 7 8 9 14 14 12 21 10 32 15 9 21 17 10 15 8 13 16 13 9 23 35 45 37 32 24 18 18 9 8 10 3 6 5 10 5 7 25 44 44 55 20 4 4 4 3 2 3 2 4 3 5 7 5 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 2 2 2 2 3 2 2 3 3 3 4 5 8 2 6 4 6 8 11 7 5 7 13 27 11 15 20 15 6 4 5 4 5 4 17 17 5 4 3 5 6 11 8 22 26 16 19 21 10 8 5 47 100 0 6 4 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 50 50 dp 1H J 11 22 | 49 48 ddq 1H J 10 18 27 | 43 41 p 4H J 61 | 42 41 q 2H J 66 | 30 30 s 2H | 29 29 t 2H J 14 | 25 24 m 2H | 24 24 m 2H | 13 12 t 3H J 66 | 12 12 t 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cccc(S(=O)(=O)C(F)(F)F)c1S2
ir: 3 6 1 3 4 2 10 5 9 8 4 5 6 2 6 9 4 2 0 2 2 1 1 4 4 1 4 4 8 9 13 14 14 10 11 3 7 3 8 2 2 0 3 2 2 2 5 4 1 1 1 2 2 2 9 4 4 5 1 2 1 1 3 3 2 12 6 13 5 1 2 2 1 0 1 2 1 0 2 2 1 1 4 40 2 2 1 1 8 1 3 12 2 2 3 3 3 11 13 4 1 1 3 2 4 4 5 2 0 3 3 2 0 1 2 1 0 2 4 3 2 3 3 1 0 2 3 3 3 21 7 4 6 3 2 1 1 2 2 2 6 2 3 1 11 100 3 1 7 30 19 3 3 2 4 1 2 7 2 1 1 1 33 2 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 2 2 0 1 2 2 1 2 5 14 4 14 17 11 3 2 2 2 1 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 2 7 30 24 3 4 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 80 dd 1H J 15 71 | 76 76 dd 1H J 21 81 | 75 74 dt 1H J 8 19 | 74 73 m 3H | 72 72 s 1H | 42 42 t 2H J 8 | 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)n1c(=O)n(CCCCl)c2ccccc21
ir: 2 3 5 4 1 2 5 2 0 1 2 1 0 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 3 6 2 2 2 4 6 76 100 20 2 0 2 3 3 0 2 8 7 1 1 3 3 1 2 3 2 0 2 3 1 1 2 2 1 2 4 3 3 6 4 3 1 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 8 5 6 3 9 5 2 1 2 3 3 7 8 5 4 5 5 3 2 1 3 4 3 1 7 5 2 1 3 7 11 3 3 2 1 1 10 4 1 1 2 2 1 1 2 1 23 35 4 38 3 1 3 3 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 3 3 2 2 3 2 1 2 3 4 14 17 4 4 35 28 5 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 76 75 dd 1H J 35 57 | 74 73 dd 1H J 36 59 | 72 72 dd 2H J 35 58 | 49 47 hept 1H J 71 | 40 40 t 2H J 55 | 37 36 t 2H J 37 | 21 21 tt 2H J 36 54 | 14 13 d 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(Cn2c(CC(F)(F)F)nc3cc(Cl)c(Cl)cc32)c1
ir: 7 4 2 4 18 9 8 7 14 15 2 4 3 2 2 8 6 2 2 5 6 3 3 4 4 3 3 7 5 3 5 5 6 5 15 17 8 3 3 7 7 4 3 4 4 3 10 21 8 35 4 6 8 3 4 4 3 2 3 5 3 20 8 5 3 2 8 15 20 10 4 4 3 3 3 4 3 2 4 4 3 2 4 3 2 2 4 6 10 7 5 6 5 3 4 5 5 4 6 6 7 16 5 5 3 21 6 6 3 3 4 3 2 3 4 3 2 4 6 13 10 18 7 6 18 12 9 18 4 4 5 3 2 4 5 5 14 38 10 8 21 21 23 4 3 4 3 3 2 3 5 3 10 23 8 3 3 3 3 4 3 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 2 9 0 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 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 3 3 4 4 2 4 6 7 10 3 3 3 3 5 12 28 22 29 100 23 4 8 11 5 2 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 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 2 2; 1HNMR: 78 77 td 1H J 10 21 | 77 77 ddd 1H J 12 21 66 | 75 75 s 1H | 75 74 m 2H | 74 73 ddq 1H J 10 20 60 | 54 54 d 2H J 10 | 32 31 q 2H J 99
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(Br)c1
ir: 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 10 3 3 5 16 47 17 6 1 1 2 4 8 1 14 11 1 1 1 1 1 1 0 0 0 1 0 1 0 1 6 9 1 1 0 0 0 0 0 1 1 1 0 0 0 0 0 1 0 1 2 2 2 1 3 3 1 1 1 1 3 27 12 6 3 2 1 1 1 1 2 13 10 5 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 5 3 2 1 0 1 1 1 1 2 3 1 1 1 0 1 1 0 0 0 0 2 12 6 2 1 1 2 8 24 4 1 0 1 0 1 3 0 0 1 0 0 0 0 1 0 0 1 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 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 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 1 1 1 1 2 1 3 8 19 14 5 1 1 1 0 2 3 33 100 16 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 t 1H J 22 | 79 79 ddd 1H J 12 22 80 | 77 76 ddd 1H J 13 22 82 | 73 73 t 1H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CNC(c2ccc(Cl)cc2)c2c(C(=O)O)nn(C)c2C)cc1
ir: 0 0 1 0 1 3 1 0 0 1 3 1 1 1 1 1 4 2 3 2 3 5 100 4 1 1 0 0 0 1 1 0 0 1 1 0 0 2 5 1 1 1 1 1 3 6 1 2 2 8 4 2 4 4 8 3 13 4 2 4 5 3 1 1 1 1 0 0 1 2 1 2 1 1 1 4 3 11 6 1 1 1 0 0 2 2 1 4 4 2 1 0 1 2 1 2 2 5 1 2 2 1 0 0 2 2 1 8 6 5 2 4 1 2 1 1 1 1 3 1 2 2 4 7 2 2 2 3 2 3 2 2 11 7 1 1 1 0 1 1 1 0 8 6 1 2 1 5 5 3 1 2 3 2 5 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 1 1 1 3 2 1 5 7 8 5 1 1 1 1 1 0 4 3 0 0 1 1 0 0 2 1 4 9 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 s 4H | 73 72 dt 2H J 9 84 | 69 68 m 2H | 58 58 dd 1H J 9 73 | 41 40 ddt 1H J 9 55 139 | 40 39 ddt 1H J 8 55 139 | 38 38 s 3H | 37 37 s 3H | 30 29 dt 1H J 56 73 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(NS(=O)(=O)c2cc(CCc3ccccc3)cs2)c1Br
ir: 4 3 6 2 2 2 3 3 2 11 13 16 15 5 4 4 7 4 5 2 2 2 6 3 2 2 2 3 2 5 3 6 2 2 2 1 2 2 3 4 6 14 4 4 2 3 2 4 2 8 6 15 13 8 9 6 4 5 5 6 3 2 4 9 7 14 2 3 8 5 2 2 3 2 8 6 3 3 3 2 3 3 54 2 4 9 9 19 6 2 4 2 2 2 2 9 3 3 5 6 12 16 6 6 3 3 2 1 3 2 0 3 28 4 3 3 1 2 2 2 3 3 7 2 2 5 9 35 25 3 3 3 10 3 2 6 2 1 2 2 4 20 8 12 4 8 65 4 3 1 1 4 2 1 2 3 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 1 2 3 1 1 2 3 2 1 4 3 7 13 8 10 9 3 2 2 2 2 2 2 1 2 2 2 1 1 1 2 1 1 2 2 2 2 4 19 100 12 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 73 71 m 6H | 69 69 dd 1H J 9 18 | 29 28 m 4H | 25 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Br)nc2c1[nH]c1cc(OCc3ccccc3)ccc12
ir: 7 7 6 3 2 2 3 5 3 8 5 5 3 2 2 1 2 6 3 3 3 4 23 64 6 9 6 5 3 3 4 1 10 7 3 3 6 7 17 69 19 6 3 3 2 3 3 2 2 2 2 1 2 8 11 9 4 4 2 1 2 5 2 1 3 4 13 14 33 4 4 1 2 1 1 3 3 4 3 2 1 1 1 1 1 2 2 5 7 12 2 7 13 2 4 1 2 2 5 2 1 1 5 36 4 3 2 1 2 2 2 38 4 1 1 1 2 2 5 9 4 22 71 7 5 8 3 7 3 1 2 2 3 3 12 9 4 5 1 2 3 2 24 13 12 11 3 1 2 2 5 7 4 8 3 3 1 3 8 11 4 1 2 37 3 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 2 2 1 2 3 3 4 10 20 16 100 37 11 6 3 3 2 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 13 23 36 10 21 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 d 1H J 88 | 79 79 s 1H | 74 74 ddt 2H J 9 15 66 | 74 73 m 2H | 73 73 m 1H | 72 72 d 1H J 24 | 69 68 dd 1H J 24 88 | 51 50 d 2H J 9 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(N)=O)C(C)O
ir: 3 1 2 5 5 1 2 3 5 1 3 5 5 6 2 5 8 14 44 43 9 18 11 4 3 6 7 5 13 6 24 22 22 11 10 5 2 6 4 4 5 3 3 9 20 30 46 30 6 7 31 5 2 4 1 1 0 2 2 1 2 3 4 5 4 8 5 4 9 5 18 24 4 0 2 2 1 1 1 2 4 6 5 1 1 1 1 1 1 1 2 1 1 2 2 3 5 28 20 15 3 2 3 3 6 1 5 2 1 4 4 47 3 2 3 5 11 5 4 3 4 3 4 3 3 1 8 7 6 9 3 1 1 8 2 2 10 5 2 4 1 1 5 2 0 1 1 1 0 2 25 4 4 47 2 4 1 6 6 17 7 96 2 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 1 3 1 0 1 1 2 1 1 1 0 1 2 3 7 5 2 7 16 7 2 5 20 5 1 2 2 1 0 1 0 0 1 1 1 1 10 2 3 4 4 4 14 55 21 24 6 4 9 100 5 3 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 s 2H | 73 73 d 1H J 91 | 70 70 s 2H | 65 65 s 1H | 37 37 pd 1H J 43 57 | 35 34 m 1H | 27 27 d 1H J 44 | 24 23 s 2H | 21 21 s 6H | 17 16 dqd 1H J 53 65 128 | 15 14 dqd 1H J 53 65 128 | 12 12 dd 3H J 15 57 | 9 9 td 3H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(Oc2ccc(Br)cn2)cc(C(=O)Nc2nccs2)c1
ir: 0 1 1 1 1 2 2 1 2 3 2 2 2 1 3 1 3 2 2 1 2 2 2 1 3 3 2 3 2 2 3 3 4 9 2 6 3 4 4 4 6 4 1 3 1 1 1 1 1 2 3 8 3 1 1 5 2 9 3 5 1 1 2 1 1 1 3 4 5 8 1 0 1 2 1 3 9 3 5 1 1 1 1 3 2 6 16 15 11 3 2 1 2 9 6 2 5 3 6 2 3 5 4 1 3 7 17 5 8 2 1 0 1 1 1 2 2 2 2 5 3 2 2 2 2 2 2 2 6 16 9 4 2 1 1 1 1 2 3 2 3 1 2 1 1 1 2 1 27 12 1 2 2 4 1 1 0 0 1 1 1 5 5 1 0 0 1 3 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 2 1 1 1 1 1 1 0 1 2 4 3 5 3 16 3 24 100 25 25 7 0 2 2 1 0 1 1 0 0 0 1 0 0 0 1 0 1 1 4 6 3 6 7 2 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; 1HNMR: 83 83 d 1H J 20 | 78 78 td 1H J 10 22 | 77 77 dd 1H J 20 86 | 75 75 d 1H J 44 | 74 74 t 1H J 22 | 73 73 d 1H J 44 | 70 69 td 1H J 9 22 | 68 68 d 1H J 86 | 31 30 m 1H | 12 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CCCCO)cc1
ir: 20 11 3 5 2 15 16 1 1 3 4 21 20 2 2 17 13 3 1 1 1 2 6 13 10 0 0 1 3 0 0 1 1 3 4 3 1 0 0 1 2 2 1 1 1 0 1 2 1 1 1 1 8 5 7 34 20 6 3 3 1 1 2 2 1 0 1 2 7 20 28 3 1 1 3 9 1 5 9 3 0 2 2 5 4 3 35 48 33 9 5 20 10 5 1 4 2 2 4 5 7 2 1 1 2 1 1 2 4 7 12 3 4 2 5 18 59 6 2 12 4 8 6 4 4 13 5 7 3 1 1 0 0 1 1 1 0 1 1 0 1 2 20 54 11 7 2 1 1 20 26 24 4 2 2 1 1 0 0 0 0 0 2 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 3 1 2 4 4 3 4 2 1 1 1 4 2 10 10 11 45 46 14 2 7 5 4 9 80 100 6 5 2 6 5 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 80 79 m 2H | 72 72 dt 2H J 8 83 | 39 38 m 2H | 39 39 s 3H | 26 26 tt 2H J 9 77 | 21 21 t 1H J 59 | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C(=O)c2cc(Br)c3c(N)ncnn23)CC1
ir: 1 1 1 1 1 1 1 1 1 1 1 4 2 2 2 1 3 3 3 1 1 1 1 1 1 1 1 1 1 1 4 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 1 1 2 4 2 1 1 1 1 3 1 1 1 2 1 1 1 1 1 1 1 2 7 4 1 2 14 1 8 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 1 1 1 1 1 1 1 1 1 0 3 100 4 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H | 71 71 d 3H J 15 | 38 37 ddd 2H J 58 85 124 | 36 35 ddd 2H J 59 86 124 | 34 33 p 1H J 54 | 23 22 ddt 2H J 56 86 126 | 21 20 ddt 2H J 56 86 126 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1ccc2cnc(C(=O)O)cc21
ir: 3 2 1 3 4 4 4 4 3 1 2 5 10 7 6 8 5 7 6 20 46 27 3 5 6 5 6 6 2 4 2 3 29 23 2 7 5 2 1 3 2 1 2 3 2 0 2 4 2 0 1 3 1 0 2 3 2 0 2 3 1 0 2 6 7 8 6 8 3 1 3 6 4 2 5 6 18 21 13 11 8 1 6 4 6 4 2 3 1 1 7 5 2 2 3 3 12 6 6 3 1 2 4 2 3 4 16 3 0 1 3 2 1 5 6 2 0 3 11 15 5 3 2 2 1 3 3 2 5 12 16 11 9 10 4 2 2 2 10 10 2 2 2 2 3 15 5 1 1 7 8 3 3 3 2 9 2 3 2 0 1 3 2 23 1 2 1 0 1 2 1 0 1 3 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 3 1 1 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 6 7 3 7 20 11 11 17 5 7 4 3 5 100 95 9 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 89 89 d 1H J 22 | 88 87 s 1H | 72 71 dq 1H J 6 53 | 65 65 dd 1H J 19 56 | 40 39 qd 2H J 9 51 | 14 14 t 3H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cn1nnc(-c2cnc(N3CCN(C(=O)c4cccc(F)c4C(F)(F)F)CC3)s2)n1
ir: 6 7 7 4 1 4 7 4 7 9 12 27 38 10 21 10 10 13 9 33 72 71 24 27 16 7 12 3 2 7 3 3 2 3 2 1 5 6 4 13 13 11 5 7 9 17 10 19 35 26 3 2 4 7 10 1 2 7 7 4 12 5 2 5 8 18 4 4 3 5 3 1 4 5 3 4 9 19 14 25 22 11 29 11 21 21 19 27 3 8 5 3 3 4 14 5 5 11 100 11 22 13 4 7 8 42 39 14 10 5 0 5 10 5 1 3 4 2 0 3 19 15 34 17 9 3 3 7 5 5 8 8 19 8 6 11 7 4 4 6 7 3 3 36 20 14 4 7 7 12 6 3 2 1 3 1 17 2 3 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 3 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 4 2 5 8 3 3 2 1 11 6 11 20 18 11 5 2 5 8 3 5 31 48 15 5 3 2 1 2 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 80 s 1H | 77 77 dd 1H J 13 73 | 75 75 td 1H J 51 72 | 73 72 ddd 1H J 13 72 102 | 52 52 s 2H | 40 39 t 5H J 46 | 38 37 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(C)(C)CC(O)(C(=O)O)C(F)(F)F)ccc1C(C)=O
ir: 27 20 15 9 7 4 4 4 6 4 4 8 7 10 11 40 18 6 6 15 20 33 41 100 58 14 9 15 16 4 7 9 7 2 4 5 4 1 4 5 5 2 4 6 4 1 2 5 4 3 3 5 5 13 9 13 11 13 16 12 5 1 4 9 6 9 6 10 12 13 18 12 14 4 6 7 3 2 16 53 37 13 11 4 5 6 8 8 14 28 26 73 46 68 42 22 4 3 7 14 10 7 7 5 3 15 9 16 3 5 7 10 4 12 25 12 4 16 10 8 6 14 16 9 7 7 18 29 5 4 5 3 4 5 14 17 7 4 6 3 6 10 5 7 15 20 8 3 5 8 5 5 4 6 4 5 7 7 5 2 2 4 3 5 5 5 3 0 2 5 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 3 1 0 3 4 1 0 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 4 2 0 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 4 2 3 5 3 1 2 6 4 2 2 6 4 3 9 14 11 13 14 33 21 4 3 5 3 2 13 38 19 37 12 5 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0; 1HNMR: 88 88 s 1H | 78 77 d 1H J 82 | 72 71 dd 1H J 22 81 | 69 69 d 1H J 21 | 49 49 q 1H J 33 | 39 39 s 3H | 28 27 dq 1H J 23 139 | 26 26 s 3H | 26 25 dq 1H J 22 137 | 15 14 s 3H | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(F)c(CCNCC(OC)OC)c1
ir: 0 1 1 0 0 1 1 3 2 1 1 1 0 1 2 2 4 6 7 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 3 1 1 1 2 4 5 2 4 4 20 8 5 18 35 5 3 3 4 30 3 6 13 10 19 7 6 3 0 7 73 15 7 15 4 10 11 5 4 9 24 7 18 3 1 1 1 2 5 3 2 2 5 2 0 0 1 3 1 5 1 3 5 13 1 2 1 0 1 1 31 21 14 29 4 3 5 48 14 11 8 5 4 6 4 1 3 4 3 2 2 3 3 2 1 2 2 1 1 2 11 12 2 1 3 3 3 29 1 1 1 1 1 1 13 2 1 2 6 1 1 2 1 1 1 0 2 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 2 1 1 1 1 2 2 1 1 1 1 1 2 2 7 10 5 6 69 18 4 2 1 2 4 2 1 1 1 1 1 1 0 1 3 4 11 23 100 20 8 3 2 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dd 1H J 84 102 | 68 68 ddd 1H J 22 35 84 | 67 66 ddt 1H J 8 20 31 | 45 45 tt 1H J 48 60 | 45 44 qt 1H J 15 33 | 38 38 s 2H | 34 34 d 6H J 16 | 31 30 q 2H J 52 | 29 29 dd 2H J 34 62 | 29 28 tdd 2H J 8 35 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@]1(c2ccc3cc(O[C@@H]4CC[C@@H](C(F)(F)F)CC4)ccc3c2)COC(=O)N1
ir: 2 1 1 1 2 2 1 4 9 6 6 9 4 4 7 10 12 21 18 28 6 3 6 4 2 2 1 1 2 1 1 1 1 1 1 1 1 0 1 2 1 1 0 1 1 1 1 1 1 2 7 2 2 9 22 2 3 1 2 6 2 2 5 2 2 2 2 5 31 11 3 1 1 1 2 2 3 1 2 2 0 0 1 1 1 3 2 3 2 2 6 5 2 3 3 2 2 3 7 13 8 4 21 3 5 6 6 4 6 13 18 18 11 11 17 8 7 6 8 8 8 2 3 5 3 2 7 6 5 5 4 3 3 5 2 2 1 1 1 0 1 0 1 2 3 3 1 1 1 1 2 2 1 4 13 100 17 11 11 1 1 2 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 2 3 2 3 3 2 2 4 5 5 17 11 6 15 68 36 4 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 12 14 4 2 2 5 3 2 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 s 1H | 78 77 m 2H | 76 75 dd 1H J 20 81 | 75 74 dd 1H J 22 81 | 71 71 t 1H J 23 | 70 69 dd 1H J 24 85 | 47 46 d 1H J 117 | 45 45 tt 1H J 26 53 | 45 44 d 1H J 117 | 22 21 m 1H | 20 18 m 4H | 18 16 m 4H | 17 17 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)COC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1
ir: 1 1 4 6 5 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 6 2 3 1 0 1 1 2 1 1 2 2 1 0 5 6 6 20 50 41 5 6 2 0 1 1 3 0 0 1 1 0 1 1 0 0 0 1 1 2 1 1 0 1 2 1 1 1 1 4 2 4 6 4 3 4 1 0 0 0 1 3 1 0 1 8 3 1 1 1 0 1 1 1 0 1 6 11 4 2 1 2 3 4 8 3 3 1 1 1 1 2 1 1 1 1 2 4 5 4 1 1 1 2 3 1 2 4 3 1 2 1 1 1 2 14 3 6 4 12 4 13 100 14 10 2 3 40 3 2 1 1 4 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 1 0 0 1 2 2 3 3 4 5 3 9 5 11 8 1 1 0 1 1 0 0 1 1 0 0 3 2 1 1 2 1 2 2 4 11 15 16 24 18 5 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 74 73 d 1H J 22 | 72 72 m 3H | 72 71 m 3H | 42 40 m 4H | 39 39 ddd 1H J 18 51 123 | 35 34 m 1H | 31 30 dd 1H J 37 148 | 28 28 ddd 1H J 18 55 149 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1
ir: 6 4 6 7 9 6 6 9 7 23 28 19 17 9 7 5 4 20 22 55 100 78 81 48 33 11 7 5 6 15 4 4 53 10 25 70 19 7 5 4 6 14 6 9 9 7 5 5 4 1 3 2 2 2 3 4 6 3 4 4 9 5 12 18 9 12 6 9 7 16 17 11 5 4 11 9 21 33 24 48 27 11 5 4 6 22 8 8 6 8 10 13 10 15 63 12 5 9 6 6 5 7 4 3 0 2 3 2 1 2 7 11 33 28 13 10 6 12 8 15 24 30 31 7 6 8 19 16 36 8 8 9 7 8 9 5 8 5 9 45 7 9 28 52 35 21 8 7 3 2 3 5 9 22 10 4 3 3 25 2 16 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 1 0 1 2 2 1 2 3 5 5 7 8 4 2 6 3 6 8 4 27 18 16 59 32 19 9 13 2 4 3 3 2 31 42 6 2 1 0 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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: 85 85 dq 1H J 10 20 | 84 84 ddd 1H J 13 20 42 | 76 76 dtt 1H J 8 18 75 | 73 72 dd 1H J 43 76 | 69 68 dd 2H J 11 20 | 68 68 tp 1H J 8 17 | 42 41 q 2H J 65 | 39 39 p 2H J 9 | 28 27 m 4H | 27 26 dtd 4H J 10 85 148 | 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.
Cc1cc(C(=O)NCc2ccccc2)cc2cc(NC3CCC4(CC3)OCCO4)ncc12
ir: 7 5 4 6 6 10 7 5 4 3 6 7 8 4 5 8 6 5 7 5 8 17 5 33 11 7 7 18 32 8 27 13 6 5 3 2 3 9 4 19 45 9 4 4 4 3 4 1 3 3 3 2 3 4 3 2 3 5 4 3 3 7 7 12 3 7 4 4 9 15 20 15 24 4 3 5 6 5 3 2 2 3 2 2 3 3 4 4 6 8 6 6 10 3 4 5 9 4 3 3 3 5 6 2 5 8 4 10 8 4 2 6 7 12 5 4 6 6 7 11 11 5 18 7 4 12 13 5 4 3 4 9 5 3 10 21 4 4 7 44 10 32 45 17 17 9 6 42 10 5 3 4 3 4 18 51 9 2 2 4 11 5 2 3 2 1 2 4 0 4 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 3 3 4 3 3 3 2 4 5 4 9 13 9 11 100 29 8 5 1 2 4 2 1 3 5 3 6 3 3 2 2 3 5 4 4 7 8 16 51 35 27 10 6 4 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 89 89 s 1H | 82 82 t 1H J 22 | 81 80 t 1H J 57 | 79 79 m 1H | 74 72 m 3H | 73 73 s 3H | 70 69 d 1H J 21 | 61 61 d 1H J 68 | 46 46 dd 2H J 8 57 | 41 40 m 1H | 39 39 s 3H | 26 26 s 2H | 20 19 m 2H | 18 17 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNc1cc(Oc2ncccn2)c(Cl)cc1F
ir: 1 1 1 2 2 1 4 4 2 1 1 2 2 2 3 3 5 4 4 6 6 6 5 7 17 19 26 43 12 26 22 11 10 11 18 7 28 15 11 2 17 12 3 3 5 5 12 4 3 4 6 11 6 5 9 4 6 8 2 5 2 3 3 2 2 2 3 9 21 5 3 2 1 2 2 2 2 3 6 3 1 2 3 3 2 2 1 2 4 5 2 2 1 2 5 3 2 1 2 3 5 1 7 1 1 1 1 1 1 1 1 1 1 2 4 2 1 2 2 1 2 2 2 4 8 4 4 8 2 3 3 2 5 23 9 13 3 4 3 5 10 40 39 44 76 9 8 8 4 2 4 8 8 14 28 6 3 0 1 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 2 2 1 0 2 4 6 51 3 2 1 1 1 2 1 1 1 1 1 2 7 11 14 3 5 3 2 1 4 5 12 100 19 28 14 6 2 3 5 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 d 2H J 42 | 73 73 d 1H J 43 | 73 72 d 1H J 121 | 71 70 t 1H J 41 | 64 64 q 1H J 36 | 59 59 d 2H J 37
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)c1ccc(Cl)c(-c2ccc(C(F)(F)F)nc2)c1
ir: 1 1 2 2 5 5 6 10 3 2 1 2 3 4 2 2 4 2 3 1 1 1 1 2 2 1 2 31 14 4 2 2 1 2 2 8 9 12 8 3 3 2 1 1 1 2 1 1 1 3 2 1 4 14 91 44 5 1 2 3 1 0 1 4 10 1 8 16 8 7 3 2 2 2 5 3 1 1 2 2 1 1 1 1 1 2 3 4 6 1 2 2 1 1 2 3 3 23 15 8 7 23 6 50 2 1 3 2 2 19 21 3 1 2 2 14 8 7 5 4 2 6 8 9 6 2 2 2 1 1 2 1 2 2 2 6 37 8 17 15 5 2 2 1 1 2 2 2 10 14 6 4 3 2 1 2 1 2 1 31 4 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 3 2 3 29 100 26 13 5 2 2 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 87 d 1H J 19 | 84 83 d 1H J 15 | 79 79 dd 1H J 15 86 | 78 78 dq 1H J 21 106 | 77 77 d 1H J 86 | 77 76 dd 1H J 19 106
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CCC(c2ccc(C(C)=O)cc2)CC1
ir: 4 2 5 2 2 4 2 6 2 3 2 2 2 2 1 2 1 2 4 3 2 3 7 46 100 13 7 8 5 2 1 2 1 1 2 5 9 1 1 4 3 2 1 2 2 1 3 3 2 2 2 2 4 0 11 9 11 3 2 2 1 1 2 4 4 2 2 3 4 13 5 4 3 3 3 7 2 1 1 2 1 1 1 2 1 0 2 2 2 1 2 3 1 2 2 2 5 6 14 18 8 9 7 8 5 14 13 10 19 9 11 12 6 5 3 5 4 5 3 4 10 6 6 10 14 26 12 7 4 4 4 2 5 5 6 4 2 3 4 5 7 26 37 24 27 15 9 5 6 7 13 12 5 2 2 2 2 1 1 1 1 1 3 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 3 2 6 4 6 2 3 3 4 4 11 32 33 22 21 84 16 4 3 2 2 3 2 2 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H | 73 73 m 2H | 42 41 q 2H J 66 | 27 26 m 1H | 26 26 s 2H | 23 22 d 2H J 72 | 21 19 tt 1H J 63 74 | 19 19 ddt 2H J 58 82 132 | 16 15 m 4H | 13 12 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2C=CCC2)c(=O)[nH]c1=O
ir: 2 1 1 1 2 2 3 2 2 3 2 3 2 1 1 1 2 1 2 2 2 2 1 3 2 2 2 5 4 3 3 2 2 2 2 3 3 5 12 7 3 2 3 3 2 1 2 3 2 1 1 2 2 8 46 19 7 2 3 2 3 3 3 3 2 2 3 4 4 2 1 5 2 3 6 2 1 1 1 2 4 2 2 2 1 1 1 1 1 1 2 2 3 5 3 3 2 2 3 2 1 1 1 1 2 2 2 1 2 2 2 2 5 2 2 4 1 3 4 2 5 15 12 2 3 6 6 3 2 8 12 2 1 3 2 3 3 3 4 3 3 2 7 2 2 2 3 11 16 3 2 3 16 3 3 17 9 2 2 1 3 4 4 42 13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 3 2 2 2 6 10 8 10 25 5 3 2 3 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 3 0 0 3 9 100 5 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; 1HNMR: 77 76 d 2H J 22 | 71 71 t 1H J 24 | 59 58 dddt 1H J 9 17 57 66 | 57 56 ddddt 1H J 9 18 27 36 72 | 41 40 dt 1H J 91 128 | 39 38 dt 1H J 91 126 | 30 29 m 1H | 27 26 q 2H J 77 | 23 23 s 6H | 23 22 m 1H | 22 21 m 1H | 20 18 m 2H | 17 16 ddddd 2H J 8 54 81 90 122 | 12 11 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(OC)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
ir: 6 6 24 3 5 3 3 2 2 2 4 3 2 4 12 6 4 7 4 2 3 2 2 2 1 2 1 1 1 1 2 1 1 2 5 0 1 2 3 1 1 1 1 0 1 1 1 0 1 1 1 1 1 3 11 14 3 2 1 1 3 1 7 9 1 3 2 2 1 6 2 2 2 2 2 2 2 5 4 3 6 8 9 23 20 35 16 9 7 7 3 5 3 3 3 2 1 3 4 5 3 4 1 4 2 2 1 1 1 1 1 1 2 3 4 7 8 34 27 14 10 3 1 4 14 3 3 4 4 6 13 1 1 1 1 4 2 2 3 20 6 12 1 1 2 1 1 1 8 4 3 5 3 1 1 1 1 0 1 2 1 0 3 3 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 3 1 1 3 3 13 26 9 4 2 2 1 1 0 1 1 1 0 0 1 1 1 1 2 7 46 6 3 5 4 100 14 2 2 2 1 1 1 1 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 m 2H | 78 78 m 2H | 77 77 m 2H | 72 72 s 2H | 70 70 m 2H | 40 40 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(N)c1cc(C(F)(F)F)ccc1C(F)(F)F
ir: 1 1 0 0 1 0 0 0 1 1 0 0 1 3 2 1 1 1 1 1 1 1 0 1 2 1 1 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 0 1 1 4 2 1 0 1 2 6 5 9 1 2 7 6 1 1 2 1 0 2 7 3 8 2 1 1 2 1 12 6 3 8 2 2 6 2 1 1 0 0 1 1 1 1 1 0 0 7 8 2 3 17 34 2 3 1 1 1 2 3 2 1 7 5 2 5 11 4 1 1 1 2 1 2 2 2 2 1 1 2 6 3 1 3 3 9 20 4 2 3 1 1 0 1 1 0 0 0 1 1 0 0 0 0 2 1 1 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 0 1 1 1 2 2 2 6 9 12 2 1 0 1 1 0 0 0 1 1 2 2 4 15 7 3 1 1 1 3 21 100 4 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 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 p 1H J 10 | 76 76 dq 2H J 9 18 | 41 40 m 1H | 20 19 dtd 1H J 48 59 143 | 19 18 d 2H J 55 | 17 17 dtd 1H J 49 60 143 | 15 14 dqt 1H J 60 75 134 | 14 13 dqt 1H J 60 77 134 | 9 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)C(=O)Nc1cccnc1C(=O)NCC1CCCCC1
ir: 2 2 1 1 1 1 2 4 1 1 0 0 1 0 1 1 1 0 1 1 0 0 0 1 1 1 4 3 1 0 1 7 20 8 25 23 4 4 4 2 1 6 6 4 1 3 4 23 14 11 18 11 4 3 1 0 1 5 4 1 1 4 2 12 3 1 3 0 1 1 0 1 2 1 0 0 1 1 0 1 3 1 1 0 1 1 2 2 2 1 1 2 1 1 1 1 2 1 0 0 1 0 1 1 7 1 1 3 4 4 1 2 3 2 2 2 2 3 1 2 4 2 2 3 2 3 4 17 22 9 8 2 6 1 0 1 2 5 7 3 15 64 2 2 2 3 4 11 12 5 4 3 1 100 3 2 3 1 1 2 8 4 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 2 1 1 2 1 0 1 2 3 4 6 6 1 3 6 4 2 0 1 1 2 0 1 1 1 0 0 1 0 1 1 2 1 1 8 12 7 56 50 21 2 3 2 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; 1HNMR: 95 95 s 1H | 87 87 dd 1H J 20 81 | 86 85 dd 1H J 20 42 | 74 73 m 2H | 32 32 dd 2H J 45 65 | 19 18 pt 1H J 44 58 | 17 16 q 2H J 82 | 16 12 m 11H | 12 11 s 5H | 9 8 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(-c2cccc(-n3cnc4cc(C(=O)NCc5cccnc5)ccc43)c2)cc1
ir: 7 18 4 14 1 3 2 1 2 1 1 2 1 2 1 2 1 5 4 5 4 5 8 3 5 9 11 4 2 4 4 9 18 65 24 23 6 10 17 39 47 14 6 6 3 4 10 30 30 4 2 4 2 5 8 14 13 16 5 6 4 3 8 6 6 2 2 8 10 4 9 0 6 5 1 0 2 6 3 5 3 2 2 1 1 1 1 5 5 2 4 4 3 1 2 1 5 5 7 24 4 2 0 1 1 1 0 0 1 1 3 14 11 3 0 3 5 6 4 5 6 11 15 14 13 7 3 1 0 4 1 1 1 0 0 1 1 0 6 13 5 3 9 53 13 18 37 68 9 3 2 6 12 7 4 5 2 1 15 3 4 1 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 1 2 2 2 3 6 13 64 100 18 12 4 6 2 2 2 1 1 2 1 1 2 2 0 1 1 2 2 1 2 4 7 6 30 11 2 3 0 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dq 1H J 10 21 | 86 85 s 1H | 85 84 ddd 1H J 13 20 42 | 82 82 t 1H J 66 | 81 80 d 1H J 21 | 80 80 d 1H J 86 | 80 79 t 1H J 21 | 79 79 m 2H | 79 78 dd 1H J 21 85 | 78 77 m 3H | 75 75 ddd 1H J 13 22 71 | 75 74 dd 1H J 64 71 | 74 74 ddd 1H J 13 22 64 | 73 72 dd 1H J 43 78 | 46 45 dt 2H J 9 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCNCc1cccc(C(F)(F)F)c1
ir: 12 4 8 12 11 10 7 5 7 5 5 3 2 1 2 1 2 1 2 1 2 1 1 1 1 2 1 1 1 1 2 6 10 3 1 2 1 1 1 3 2 4 5 3 16 18 7 32 16 7 2 4 2 1 3 4 3 5 5 1 1 1 1 3 1 1 2 10 4 4 1 1 2 6 8 3 1 1 1 1 3 2 4 3 3 14 100 19 9 4 3 8 1 0 1 1 4 1 2 8 2 1 1 1 1 2 1 2 6 34 30 7 12 23 8 6 4 1 1 1 1 2 2 1 1 4 2 10 13 2 2 1 1 8 16 3 1 1 1 1 4 5 0 1 1 0 0 0 0 0 0 0 2 1 1 1 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 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 1 1 2 1 0 1 1 0 0 1 1 2 1 8 27 6 2 1 0 1 2 4 18 15 2 0 1 0 1 0 1 2 5 34 54 21 5 2 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 td 1H J 10 21 | 76 76 ddd 1H J 13 22 107 | 75 75 dd 1H J 75 106 | 73 72 ddq 1H J 10 21 75 | 46 45 p 1H J 54 | 39 39 dt 2H J 8 51 | 37 36 dt 2H J 43 58 | 34 33 t 1H J 57 | 30 29 dt 2H J 42 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c[nH]nc1C(C)C
ir: 6 6 21 25 5 7 5 3 3 3 3 3 3 4 4 27 4 5 3 3 4 3 3 3 3 4 4 4 5 3 3 5 6 7 55 0 36 6 4 2 5 5 4 4 4 10 100 51 35 7 4 1 3 6 3 1 3 5 3 2 4 5 4 2 4 4 4 4 4 7 4 2 4 5 6 3 10 7 5 4 4 4 4 4 4 5 3 3 4 4 3 3 4 4 9 8 10 8 3 33 9 30 5 4 3 4 4 4 6 5 5 6 5 4 3 4 4 6 5 7 8 20 6 25 6 5 16 8 10 6 3 4 15 4 13 4 7 4 6 8 15 10 12 5 4 3 3 3 5 12 53 21 52 2 8 4 8 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 3 4 4 3 3 3 4 5 5 7 7 9 7 18 7 5 3 4 12 13 9 11 5 5 4 5 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 5 8 5 9 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 89 89 d 1H J 42 | 80 80 d 1H J 40 | 38 38 s 2H | 32 31 p 1H J 67 | 14 14 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2nccc3ccc(NC(=O)c4ccc(Cl)cc4)cc23)CC1
ir: 5 7 0 1 5 2 4 4 4 4 6 3 5 3 2 17 24 17 18 11 14 6 6 3 3 2 4 7 45 4 7 59 13 6 10 6 5 5 20 35 83 68 16 23 7 5 5 3 3 5 8 8 6 17 25 21 68 9 7 4 4 4 2 5 2 4 4 13 10 25 5 2 11 11 18 11 5 5 13 6 23 3 6 18 20 17 9 5 4 3 2 2 2 2 2 2 6 9 13 25 7 5 9 5 6 12 16 20 4 2 3 2 62 4 4 3 1 1 1 3 3 2 5 5 15 11 19 4 2 2 2 11 13 1 0 14 5 3 9 3 3 11 29 42 12 15 100 23 15 15 21 24 22 20 15 5 6 7 66 13 2 1 15 1 1 1 0 1 4 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 1 1 1 1 1 3 10 4 34 67 80 7 6 8 3 5 3 1 2 2 1 0 1 2 3 1 2 1 1 1 2 5 4 47 90 8 9 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 93 s 1H | 80 80 d 1H J 49 | 79 78 dt 3H J 16 86 | 78 78 m 1H | 77 76 dd 1H J 21 84 | 76 75 m 2H | 75 74 m 1H | 35 35 m 4H | 31 30 m 4H | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1c(OC)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2=O)cc1SOC
ir: 6 8 0 9 10 5 3 3 6 2 2 6 9 5 1 3 4 2 1 7 8 7 1 5 4 5 6 9 6 3 4 7 4 5 3 10 15 10 18 10 5 3 6 5 2 1 1 5 7 2 4 5 3 1 4 6 5 5 12 10 13 7 11 16 17 20 86 43 52 21 23 5 9 14 10 6 2 3 7 8 6 2 2 2 2 2 4 5 36 11 8 30 20 10 4 3 1 3 3 6 9 7 6 9 2 2 4 2 1 8 14 19 27 17 7 11 8 8 7 10 3 6 7 13 16 7 14 8 5 3 3 3 1 2 3 2 2 10 13 10 4 6 4 33 34 5 4 3 1 2 1 1 1 2 2 8 14 8 5 2 4 35 71 7 4 2 2 1 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 3 4 3 3 3 3 5 4 5 6 15 13 19 25 21 40 14 33 100 80 33 10 7 3 3 3 3 2 0 1 2 1 1 1 2 1 1 1 2 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 d 1H J 23 | 67 67 dd 1H J 7 22 | 66 65 s 2H | 41 40 t 2H J 53 | 39 38 m 11H | 37 36 m 5H | 22 21 m 2H | 20 18 m 5H | 11 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCc1ccc2nc(-c3cccnc3)nc(Nc3ccc(F)c(Cl)c3)c2c1
ir: 1 5 2 8 9 3 4 4 3 10 9 32 13 15 6 15 11 17 10 28 65 54 89 19 13 21 9 18 5 9 12 9 16 51 10 1 5 14 2 2 2 6 5 3 2 2 5 5 21 21 5 0 4 7 38 33 72 10 9 4 2 3 2 4 4 2 3 4 4 10 7 0 2 2 1 3 7 30 29 38 11 13 5 5 3 3 4 6 7 4 1 2 2 4 5 9 9 11 6 3 2 2 3 2 5 46 8 3 2 2 2 5 24 59 12 7 10 2 2 3 2 4 8 9 4 9 4 3 3 3 3 6 3 4 6 3 2 14 15 20 8 12 4 63 49 19 8 3 11 25 18 100 14 15 30 28 10 13 3 18 45 10 16 7 4 0 6 13 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 1 2 4 3 10 12 18 9 70 58 9 8 2 6 4 6 16 21 63 16 10 3 5 3 3 2 2 2 4 2 3 6 8 34 51 26 8 3 2 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 95 95 d 1H J 20 | 87 87 dd 1H J 18 48 | 86 85 dt 1H J 18 93 | 85 84 s 1H | 79 79 dd 1H J 22 33 | 79 78 m 1H | 78 77 d 1H J 81 | 75 75 ddd 1H J 21 35 77 | 74 74 m 1H | 73 72 dd 1H J 48 93 | 72 71 dd 1H J 77 102 | 30 29 tt 2H J 8 88 | 27 26 t 2H J 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(S(=O)(=O)NNC(N)=O)cc(C)c1O
ir: 13 8 0 3 6 3 5 5 5 4 1 4 6 6 3 18 20 3 2 5 6 3 5 6 5 2 2 4 4 1 2 4 4 2 2 6 6 7 21 12 8 17 48 19 9 2 3 6 5 3 3 7 4 0 3 7 6 12 8 6 6 3 4 6 6 3 11 17 12 4 5 7 4 1 4 4 4 4 4 4 2 4 21 8 6 14 14 7 4 11 18 6 1 2 4 4 1 2 4 3 1 2 4 3 1 3 5 4 5 10 15 15 6 15 8 4 0 3 5 3 1 3 6 9 7 4 5 2 2 4 5 2 1 3 4 2 1 6 11 2 1 4 4 1 1 5 4 4 8 17 15 2 2 5 4 2 4 7 33 100 9 6 4 1 2 4 3 1 3 5 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 4 4 2 2 4 3 1 3 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 5 14 8 1 3 5 2 1 8 38 40 4 4 3 3 4 9 5 28 27 11 8 16 28 8 7 6 11 7 9 7 21 13 5 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1; 1HNMR: 80 80 d 1H J 81 | 78 78 d 1H J 81 | 75 75 s 2H | 62 62 s 1H | 62 61 s 2H | 22 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CCC4)c3n2)c2ccc(F)cc21
ir: 1 2 2 2 2 2 7 1 0 2 3 1 8 3 2 6 1 2 1 1 1 1 1 8 2 3 4 4 30 10 7 7 6 6 6 2 3 1 2 4 10 3 2 2 3 7 29 8 2 1 1 2 1 0 3 3 3 0 1 8 1 1 2 2 1 1 10 2 2 1 1 3 2 2 2 2 1 1 1 1 0 0 1 2 1 1 1 3 6 1 2 1 10 3 3 2 10 2 1 1 2 2 3 2 2 1 1 1 1 1 2 3 1 1 1 2 0 2 5 3 4 2 1 1 2 1 1 1 8 2 3 1 3 3 1 1 2 14 1 1 1 1 2 4 3 10 42 36 3 2 2 3 100 10 4 1 5 1 1 1 1 1 1 2 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 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 1 1 1 1 0 1 1 1 1 2 1 1 2 2 1 3 8 4 14 9 4 5 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 4 3 3 26 16 3 2 2 2 2 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 92 92 s 1H | 83 82 dd 1H J 50 83 | 82 81 d 1H J 82 | 75 74 dd 1H J 21 122 | 74 74 s 1H | 72 71 ddd 1H J 22 82 103 | 39 39 s 3H | 21 20 dt 2H J 77 129 | 18 17 m 2H | 17 16 m 2H | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NS(C)(=O)=O)c(Cl)c1
ir: 5 4 5 24 7 7 4 4 5 5 5 3 8 7 20 4 4 8 3 4 4 3 3 4 4 5 3 4 4 4 7 8 6 5 8 6 10 29 11 17 14 11 12 10 4 3 3 5 4 2 4 11 4 0 16 37 17 12 16 4 6 7 4 2 4 9 9 4 16 6 5 7 23 5 5 4 4 4 4 4 4 6 4 3 5 4 2 11 32 3 7 5 3 3 4 11 36 24 10 6 6 4 4 4 16 10 5 4 3 4 4 5 7 31 25 7 5 6 9 24 6 9 7 6 4 8 7 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 8 31 10 5 3 3 13 7 4 24 7 3 4 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 5 4 4 4 4 3 4 4 4 4 4 4 6 6 16 9 7 8 46 10 3 4 5 4 4 4 5 4 4 4 4 3 3 4 4 3 3 4 5 5 4 6 5 6 12 100 4 5 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 72 72 d 1H J 78 | 71 71 m 1H | 70 70 m 1H | 68 68 s 1H | 30 30 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1)C(=O)O
ir: 0 1 1 2 1 1 2 2 7 4 2 2 10 6 23 7 5 3 5 5 16 34 36 21 12 17 5 7 4 3 1 1 2 6 6 8 1 1 1 0 0 1 0 0 0 0 1 0 1 1 1 1 2 9 33 18 20 3 1 1 1 2 3 4 4 1 2 1 0 0 2 1 1 1 1 2 1 3 7 39 21 6 6 2 1 2 4 5 3 2 1 1 1 0 0 1 1 2 6 25 2 2 2 2 6 11 8 6 2 4 1 5 38 12 3 6 4 4 1 2 2 2 2 1 1 2 13 5 4 2 1 1 2 1 0 2 2 6 18 44 19 4 1 1 1 8 9 2 2 3 7 10 13 12 4 1 1 0 0 0 0 0 1 12 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 2 2 4 2 5 5 24 12 14 4 3 2 2 1 6 8 66 100 14 2 1 1 1 0 1 1 1 1 2 6 8 21 28 33 11 3 1 1 1 1 1 4 6 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; 1HNMR: 75 75 dq 2H J 14 76 | 68 68 m 2H | 65 65 d 1H J 90 | 39 38 dddd 1H J 15 30 63 82 | 22 22 dq 1H J 64 129 | 10 10 dd 3H J 15 64 | 10 9 dd 3H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1SCC1CC1
ir: 3 10 3 5 2 2 1 2 2 3 1 1 2 1 1 2 2 1 1 2 2 2 1 2 3 2 31 1 4 2 1 2 7 3 4 6 35 33 3 8 3 8 8 3 2 1 1 2 2 2 2 2 3 47 25 5 3 2 1 2 1 1 1 2 5 9 5 3 10 11 3 3 2 6 3 2 1 2 2 2 1 3 3 3 1 4 4 4 22 3 2 3 1 2 6 2 2 2 19 16 9 9 2 1 1 2 2 5 3 2 5 3 39 7 2 2 1 2 2 2 1 4 6 8 4 7 23 3 1 2 3 1 0 2 4 3 100 6 1 10 2 2 1 2 2 4 3 3 5 25 8 7 5 4 2 3 1 1 2 13 4 2 2 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 3 7 5 6 7 4 11 20 27 17 5 20 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 p 1H J 13 | 80 79 m 2H | 79 78 d 1H J 109 | 78 78 d 1H J 22 | 77 76 d 1H J 70 | 28 28 d 2H J 48 | 15 14 dqd 1H J 47 55 102 | 6 5 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1ccc(OCC)c(OCC)c1
ir: 1 6 15 23 9 7 3 2 2 10 17 6 3 3 1 3 3 2 2 2 5 7 3 3 2 2 1 8 20 10 5 2 2 2 3 1 1 6 11 10 6 5 4 2 1 2 1 0 1 3 3 10 11 12 28 33 30 22 2 3 2 3 5 18 17 3 7 24 12 4 5 6 25 39 15 27 13 6 2 1 2 2 1 0 2 7 19 24 21 14 9 10 8 13 4 1 2 3 16 11 5 18 13 18 11 5 2 1 1 3 4 9 7 16 10 8 15 14 10 11 48 28 14 23 17 16 11 9 29 30 4 2 2 1 0 2 1 1 1 3 2 2 42 52 86 84 4 4 5 100 12 5 7 11 8 1 1 2 1 1 1 5 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 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 2 2 1 3 4 5 4 2 4 3 8 9 7 5 8 3 11 13 16 69 24 48 39 42 15 8 8 4 2 2 3 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 ddt 1H J 8 17 89 | 68 68 m 2H | 42 41 m 6H | 36 36 t 2H J 9 | 15 14 t 6H J 62 | 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.
CCCCCCCCCCCC(=NO)OCC
ir: 1 2 5 17 15 9 5 8 22 24 14 3 5 3 2 8 10 3 3 1 2 2 2 9 4 1 1 2 2 1 1 1 1 1 1 2 2 2 3 3 3 1 1 2 1 1 3 1 3 2 2 1 1 1 2 1 1 1 1 1 2 3 1 2 3 1 1 1 1 1 1 2 4 3 4 3 1 1 3 52 3 1 1 1 1 1 1 1 1 1 2 10 6 6 3 6 15 14 11 28 5 2 3 1 1 3 10 9 3 5 3 6 7 2 3 4 5 4 4 5 5 2 3 2 1 2 1 2 2 7 3 2 1 1 3 1 3 2 1 2 1 1 2 5 5 2 29 11 2 3 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 4 7 3 2 3 2 2 2 2 2 5 9 7 3 1 2 1 1 0 1 5 1 100 55 2 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 93 93 s 1H | 43 42 q 2H J 61 | 24 23 t 2H J 82 | 17 16 tt 2H J 70 83 | 14 13 m 2H | 13 12 m 18H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cnc(-c2ccncc2)s1)[C@H](Cc1ccccc1)NCc1cscn1
ir: 4 4 2 5 6 4 4 4 10 8 5 11 25 9 5 5 5 3 2 2 1 2 3 1 1 4 2 1 0 2 8 6 15 4 6 25 9 2 5 11 48 21 6 16 18 4 5 6 3 6 4 3 6 3 5 7 2 5 6 11 3 2 25 2 13 8 8 15 19 7 3 2 2 2 2 2 2 4 11 100 12 2 2 1 2 6 2 2 2 7 4 4 28 16 8 6 18 18 17 7 7 7 6 11 7 12 20 13 8 2 1 4 13 8 5 4 1 1 2 6 4 6 11 2 1 1 3 6 4 1 1 3 3 4 5 16 2 7 4 7 2 2 25 42 12 3 16 2 2 1 2 12 3 1 1 0 0 1 1 21 2 1 0 1 1 1 1 0 1 1 3 0 1 0 0 1 1 0 0 1 1 3 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 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 1 1 1 1 1 2 1 2 3 2 3 4 4 2 3 7 5 5 9 26 20 22 53 57 34 3 7 5 3 2 1 1 1 0 0 1 1 1 1 1 2 6 38 13 2 5 22 37 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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; 1HNMR: 88 87 d 1H J 16 | 87 86 m 2H | 82 81 s 1H | 77 77 m 2H | 73 72 m 7H | 47 46 dt 1H J 48 82 | 41 40 m 2H | 40 39 ddd 1H J 8 49 148 | 31 30 ddt 1H J 9 59 146 | 29 28 ddt 1H J 9 59 146
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(c2cnc(C#N)cn2)CC1
ir: 4 10 7 6 10 8 8 23 21 8 26 21 44 11 14 6 5 9 14 11 8 4 5 4 4 5 7 8 19 5 4 6 9 6 9 4 5 5 5 5 8 6 5 4 4 4 4 4 4 4 4 4 5 5 4 4 5 8 8 7 5 5 8 6 7 9 5 8 8 6 8 14 5 6 4 5 4 5 4 4 4 5 7 7 7 4 5 6 6 6 5 5 5 7 6 8 8 8 5 5 6 7 6 10 11 7 8 6 31 15 14 12 16 7 8 5 7 9 15 28 15 26 36 62 12 7 8 13 9 15 6 12 8 17 16 37 17 10 5 6 4 6 21 9 5 4 4 4 4 4 10 100 9 6 4 5 4 4 4 3 6 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5 3 0 19 2 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 6 5 6 5 5 6 5 5 4 6 8 9 15 20 11 7 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 85 84 s 1H | 77 77 s 1H | 37 36 dd 5H J 45 60 | 36 36 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc(S(N)(=O)=O)c1
ir: 2 4 1 1 8 5 5 3 6 3 2 30 21 3 2 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 2 2 24 29 9 1 0 1 1 3 6 4 1 1 2 9 12 7 5 7 6 2 1 1 1 1 0 1 1 1 1 4 4 10 10 8 5 2 5 12 25 15 32 29 11 8 37 20 44 13 12 5 4 6 27 17 12 97 38 100 6 1 3 2 13 7 22 2 2 2 2 2 1 1 3 16 14 3 2 2 5 7 2 8 8 23 14 11 7 6 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 2 0 1 1 2 2 8 11 4 5 4 4 2 1 2 1 1 1 1 1 0 0 1 2 2 6 5 1 1 0 6 18 5 2 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 dd 1H J 10 18 | 73 73 d 1H J 16 | 73 73 s 2H | 37 37 d 3H J 6
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2cnccc2C2CNCCN12
ir: 2 5 2 3 3 2 2 2 3 31 5 2 3 6 20 3 4 2 0 9 30 4 3 2 2 2 3 9 3 7 5 2 3 3 2 2 11 2 4 5 18 3 3 12 2 4 5 5 4 7 8 3 3 2 4 8 8 22 5 3 2 3 3 3 2 2 7 8 2 4 10 6 4 4 9 2 2 2 2 2 2 2 2 11 5 5 21 2 2 3 3 2 3 2 4 10 2 2 2 2 6 2 2 2 2 2 2 2 2 2 3 11 6 11 7 53 26 18 8 6 3 3 4 5 2 11 4 14 7 2 3 2 4 3 2 2 2 2 3 4 2 2 2 2 2 2 2 3 2 2 2 1 7 8 100 14 4 1 2 27 21 4 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 2 2 2 3 4 3 3 3 3 6 25 7 3 2 3 2 2 2 2 2 2 2 2 2 2 2 3 3 3 55 25 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 89 89 d 1H J 14 | 86 86 dd 1H J 14 49 | 76 75 m 1H | 46 46 td 1H J 7 29 | 40 39 ddd 1H J 30 54 124 | 39 38 ddd 1H J 30 53 125 | 35 34 ddd 1H J 31 46 119 | 32 30 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](CO)ONC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2ccoc12
ir: 6 5 4 6 5 4 8 4 4 7 6 5 7 8 14 9 6 11 22 11 5 15 26 12 8 8 8 12 9 12 11 6 6 19 7 6 5 6 6 25 32 11 7 7 5 14 5 4 5 8 9 8 11 20 100 15 34 37 5 4 9 17 4 3 4 5 8 12 4 5 3 3 7 5 6 4 4 3 7 8 10 7 9 4 6 6 5 4 5 5 10 6 5 7 6 9 22 70 38 7 5 5 4 3 6 4 3 4 5 4 3 4 5 4 3 13 5 5 4 5 8 10 19 15 32 15 4 5 7 4 3 4 5 7 9 12 11 4 4 4 6 5 3 6 6 12 4 6 31 5 13 19 12 3 19 20 6 0 6 35 8 80 14 37 5 6 3 3 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 4 3 3 4 3 3 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 6 3 3 4 3 3 3 4 3 3 3 4 5 5 11 8 7 18 11 28 9 11 19 49 18 10 5 4 4 3 4 4 4 5 5 4 4 5 8 6 12 34 53 33 19 33 16 9 5 4 4 4 5 3 4 3 3 4 4 3 3 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 96 95 d 1H J 37 | 75 74 m 3H | 73 73 m 1H | 72 71 d 1H J 24 | 40 39 m 2H | 37 37 ddd 1H J 38 62 125 | 36 35 s 3H | 35 34 ddd 1H J 38 62 126 | 13 13 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(c1)ncn2Cc1ccccc1
ir: 2 8 7 4 35 17 16 13 2 4 4 2 1 3 4 4 4 6 7 3 3 4 8 38 49 31 11 3 1 6 6 8 16 22 14 5 9 15 13 17 10 8 8 3 2 5 3 2 3 4 3 4 5 8 34 61 6 3 2 1 2 5 6 56 10 3 37 15 24 31 14 10 9 7 3 7 4 4 5 3 5 4 1 1 3 3 2 3 4 25 2 4 6 3 1 3 6 6 22 28 15 12 19 13 13 5 1 2 3 2 1 2 5 6 8 65 18 9 12 4 10 13 16 13 31 4 2 5 10 6 2 3 6 8 32 15 26 15 3 4 5 3 15 44 20 52 100 44 8 6 5 8 19 6 3 6 3 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 1 0 2 3 2 1 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 3 2 4 4 3 2 4 7 5 11 18 45 68 88 61 19 43 18 7 9 3 4 3 6 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 82 81 m 2H | 80 79 m 2H | 73 72 m 3H | 71 71 ddq 2H J 8 15 59 | 55 54 q 2H J 8 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc2[nH]c(=O)c3ccncc3c(=O)c2c1
ir: 14 6 2 6 11 7 7 12 7 6 15 5 3 4 3 3 2 1 0 3 5 12 10 12 22 8 3 6 8 4 15 13 9 1 3 14 16 4 6 100 46 14 5 4 3 3 10 4 3 8 7 7 7 14 43 32 15 7 4 2 3 3 2 2 3 14 13 24 20 7 3 23 42 33 8 2 2 1 2 2 4 4 1 2 1 1 11 9 2 2 2 1 1 0 2 4 5 12 37 6 7 2 3 7 5 3 2 1 1 2 10 7 4 15 5 3 8 4 5 18 2 3 7 14 45 9 7 9 31 5 3 1 1 9 53 7 5 2 0 3 3 7 3 13 29 7 8 7 6 5 90 35 9 51 53 24 7 77 15 3 26 32 5 29 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 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 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 2 2 2 2 2 3 5 2 2 2 6 5 5 17 26 82 13 6 3 4 3 1 2 1 1 1 0 1 1 1 1 3 2 3 2 3 5 14 48 58 15 8 6 2 1 1 1 1 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 90 90 d 1H J 13 | 88 87 dd 1H J 15 48 | 79 78 d 1H J 47 | 77 77 d 1H J 27 | 77 76 d 1H J 90 | 73 73 dd 1H J 27 90 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1ncccc1NC=O
ir: 1 10 21 10 2 5 7 3 2 2 3 4 2 2 5 6 9 2 1 1 1 1 1 1 1 0 1 1 1 1 2 6 7 4 4 8 10 5 3 5 4 2 2 3 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 0 1 2 15 12 4 1 3 3 4 3 4 8 11 2 2 2 4 2 5 3 4 4 28 56 64 42 19 15 38 18 21 34 22 5 7 8 5 3 4 3 2 2 2 3 4 7 2 2 1 1 3 4 2 2 5 5 12 26 16 71 11 4 4 2 2 2 3 4 0 1 2 1 0 1 1 1 3 5 3 7 37 56 1 1 1 2 1 1 1 4 12 4 1 3 11 1 7 3 6 11 2 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 3 1 1 1 1 2 5 18 6 2 3 1 0 1 1 1 1 1 1 1 1 1 5 3 10 100 23 14 14 38 85 60 13 3 4 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 d 1H J 77 | 87 86 dd 1H J 21 80 | 85 85 d 1H J 77 | 84 83 dd 1H J 20 42 | 75 75 s 2H | 74 73 dd 1H J 42 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC(=S)Nc1cnccn1)c1ccccc1
ir: 1 1 2 1 1 2 8 13 4 3 6 6 22 7 3 3 1 1 1 1 0 1 1 1 1 1 5 1 1 3 5 3 3 18 5 3 9 10 4 5 7 35 15 27 5 5 7 2 2 2 3 0 8 5 13 19 100 14 5 7 3 1 1 4 6 12 2 2 3 4 2 9 35 9 1 4 2 1 3 2 2 10 7 3 2 2 1 2 2 1 1 1 1 1 1 4 2 1 1 1 1 6 1 1 1 1 1 1 3 8 3 2 13 4 4 3 2 3 1 1 2 2 1 2 2 1 1 2 2 1 1 2 4 3 4 3 2 1 2 2 4 10 65 34 34 3 13 27 39 70 22 67 6 8 9 3 2 2 3 8 2 10 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 9 7 6 98 6 3 3 4 3 1 3 1 2 2 2 1 2 1 2 2 2 3 3 3 4 9 13 39 69 59 8 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 d 1H J 13 | 84 83 dd 1H J 13 33 | 82 82 d 1H J 33 | 78 77 m 2H | 75 75 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2c1NCCCO2
ir: 0 28 6 49 19 22 15 15 8 7 4 3 4 6 12 15 10 10 4 3 2 3 3 4 4 9 29 24 13 9 5 2 2 3 3 3 3 8 26 10 17 5 4 5 5 19 18 8 8 4 4 2 3 4 3 2 6 5 3 1 2 3 2 2 4 4 9 4 9 13 5 15 5 4 4 3 10 5 3 5 3 6 3 2 3 3 2 1 3 3 1 3 3 6 3 2 4 5 16 24 20 3 2 6 8 8 6 3 3 4 4 4 5 6 6 8 7 6 3 4 8 9 10 6 6 5 4 6 14 18 38 15 9 5 3 4 3 3 15 38 68 41 9 97 69 10 3 3 3 9 63 28 4 3 3 2 2 4 11 9 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 3 3 2 3 4 3 3 5 7 5 2 3 4 9 10 7 6 15 31 34 22 4 2 3 5 3 2 2 3 2 2 3 4 5 6 6 5 4 4 10 19 32 61 84 100 15 18 13 13 11 7 5 3 3 3 3 3 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2; 1HNMR: 70 70 t 1H J 80 | 70 69 ddt 1H J 7 12 74 | 68 67 dd 1H J 15 77 | 50 49 t 1H J 48 | 42 41 t 2H J 60 | 33 33 td 2H J 48 61 | 23 23 d 3H J 7 | 21 20 p 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cccc2nc(CCl)[nH]c12
ir: 2 2 2 2 2 2 2 2 2 2 4 2 2 2 4 3 2 3 3 6 3 4 5 8 17 5 2 2 2 2 2 2 2 2 2 2 5 3 2 2 2 4 4 2 2 7 5 100 9 0 3 4 4 2 3 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 4 5 5 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 4 3 3 2 2 2 2 2 2 2 2 2 3 12 5 2 2 2 3 5 6 2 2 6 2 3 5 65 6 2 2 3 4 1 4 11 3 2 2 7 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 4 3 2 3 9 7 4 4 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 5 6 3 4 2 37 4 5 3 7 4 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; 1HNMR: 98 97 d 1H J 44 | 76 76 dd 1H J 13 70 | 75 74 ddd 1H J 51 71 81 | 73 72 ddd 1H J 11 80 101 | 45 45 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2Cl)c1F
ir: 7 5 3 2 3 4 4 3 6 5 15 6 10 5 5 10 6 4 2 4 3 5 5 10 9 9 4 3 1 6 5 3 4 2 3 3 2 2 2 3 2 3 2 1 3 8 20 32 2 2 1 1 1 7 29 10 2 3 4 1 1 1 1 1 4 7 18 19 5 1 2 2 3 5 7 2 2 4 2 3 2 2 2 2 4 2 4 34 50 19 6 2 5 2 3 2 1 2 2 12 4 2 2 1 7 3 0 1 1 1 1 2 4 7 3 1 1 3 5 11 6 7 7 1 9 2 3 6 5 5 1 1 1 1 1 2 31 23 3 15 15 9 8 6 14 12 7 7 15 3 2 6 4 8 6 20 3 2 4 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 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 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 2 2 2 1 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 0 1 2 2 2 4 12 19 17 76 12 5 2 2 7 10 67 100 17 3 3 1 0 2 2 2 1 2 4 4 3 13 22 51 18 8 4 1 4 4 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 76 dt 1H J 9 20 | 75 75 dd 1H J 22 84 | 74 73 m 3H | 73 72 d 1H J 46 | 72 71 ddd 1H J 15 26 121 | 71 70 m 1H | 68 68 t 1H J 103 | 67 66 dt 1H J 48 104 | 58 57 p 1H J 49 | 47 47 dd 2H J 8 50
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(N=C2CC(c3ccc(C(F)(F)F)cc3)Cc3[nH]c4ccc(Cl)cc4c(=O)c32)CC1
ir: 8 9 4 5 4 4 5 6 5 5 14 10 13 4 5 8 0 13 4 12 2 12 2 4 4 6 6 5 4 7 3 31 5 13 7 4 16 70 14 6 8 3 4 4 3 5 4 1 60 7 11 11 18 26 74 40 10 13 5 0 3 5 4 6 6 6 15 10 11 10 3 4 7 4 3 4 3 5 3 5 7 8 3 2 5 12 10 4 3 4 7 7 6 4 2 5 7 7 18 43 9 16 31 9 8 7 0 7 6 4 3 7 7 9 3 5 11 7 0 6 8 8 5 8 10 10 21 6 10 5 5 6 5 3 1 4 4 3 4 3 4 2 1 3 16 3 1 4 5 18 6 15 47 78 7 5 4 2 1 9 17 7 14 16 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 2 2 3 4 6 6 4 4 3 3 7 3 6 10 20 38 100 22 10 4 5 5 3 3 3 3 4 2 4 3 2 2 2 3 4 3 2 3 12 7 11 12 95 50 6 10 5 6 3 8 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 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; 1HNMR: 83 82 d 1H J 23 | 76 76 dq 2H J 13 73 | 75 74 m 3H | 73 72 m 2H | 35 34 tt 1H J 62 69 | 34 33 dd 1H J 71 148 | 33 32 dd 1H J 62 160 | 32 31 m 4H | 31 31 dd 1H J 70 148 | 30 29 dd 1H J 62 160 | 25 24 m 4H | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1C(C)=C(C)S/C1=C\C(=O)c1cc(Cl)ccc1OC
ir: 13 7 2 5 8 8 1 6 8 5 2 5 9 8 6 7 15 5 0 5 10 13 17 16 13 12 13 10 7 2 2 7 6 3 2 8 8 6 4 9 10 5 8 8 8 4 5 13 37 12 18 80 100 97 53 26 31 22 12 11 9 12 14 34 10 4 11 21 10 3 6 8 6 1 6 11 13 10 5 7 13 4 5 6 3 6 8 6 2 2 6 4 3 4 7 5 2 3 7 7 4 3 5 5 2 4 7 8 4 19 14 11 13 22 10 9 17 36 31 14 12 16 12 7 11 12 21 19 10 6 9 6 8 13 17 7 8 15 7 14 4 8 12 9 53 28 16 4 12 25 18 6 5 8 6 3 3 11 16 6 43 36 24 5 7 9 4 1 3 7 3 0 3 6 4 1 4 6 3 0 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 5 5 2 2 4 5 1 2 5 4 1 2 5 4 1 2 5 4 1 2 5 3 1 2 5 3 0 3 6 3 0 3 6 3 0 3 6 3 1 3 6 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 5 4 2 2 5 4 1 3 5 5 6 6 6 6 8 8 8 5 7 7 10 8 4 13 14 43 17 34 87 46 6 8 15 5 0 6 6 3 3 5 6 2 1 5 5 2 2 5 5 2 1 4 5 2 2 4 4 1 2 5 4 1 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 79 79 d 1H J 24 | 75 74 dd 1H J 25 87 | 71 70 d 1H J 86 | 65 64 s 1H | 39 38 m 5H | 21 20 dq 6H J 10 105 | 16 16 p 2H J 66 | 14 13 h 2H J 73 | 9 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ccc(Cl)nn1
ir: 6 2 4 4 2 2 3 3 4 3 1 5 3 3 3 3 3 2 2 3 3 4 3 4 5 6 9 13 9 9 9 18 10 12 15 9 12 17 17 11 10 17 14 9 7 14 13 12 8 8 9 9 21 20 22 21 7 4 6 5 3 2 2 2 2 2 13 11 6 6 5 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 4 3 2 3 6 5 11 7 5 5 2 3 7 6 2 2 3 8 3 4 4 3 5 4 3 6 3 4 5 6 5 8 4 5 4 3 2 2 3 4 5 3 4 4 2 3 3 5 11 10 5 8 17 5 18 17 100 30 12 21 29 44 45 24 18 5 10 4 0 2 10 44 44 5 0 1 4 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 6 4 4 2 3 3 3 4 6 4 11 20 20 17 19 11 5 4 3 3 3 2 4 3 3 3 3 3 3 3 3 3 3 5 5 10 17 19 46 44 12 7 5 4 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; 1HNMR: 97 96 s 1H | 80 79 d 1H J 77 | 76 75 d 1H J 79 | 75 75 d 1H J 77 | 70 69 tt 1H J 22 121 | 69 69 dq 1H J 9 18 | 69 69 dq 1H J 9 19 | 44 43 dt 1H J 58 79 | 37 36 m 2H | 20 19 dq 1H J 62 146 | 17 16 dq 1H J 61 145 | 15 14 m 1H | 14 13 ttd 1H J 62 74 137 | 10 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1coc2ccc(-c3cc(F)cc(F)c3)nc12
ir: 1 1 1 1 1 0 1 6 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 3 1 1 2 1 6 3 3 1 1 1 0 1 3 24 7 1 3 0 0 1 1 0 1 1 0 0 1 1 1 0 26 1 2 4 2 5 2 2 2 10 2 6 7 14 5 5 1 0 0 1 1 1 1 1 3 1 0 0 6 1 1 0 1 1 0 1 1 5 2 2 1 6 5 2 5 6 6 2 1 1 1 1 3 4 1 11 19 3 1 4 4 1 1 3 5 2 1 1 1 1 2 2 5 11 3 11 2 1 2 1 1 7 13 2 6 8 7 2 5 2 29 4 3 5 2 2 7 30 12 6 2 1 9 3 5 14 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 8 7 6 11 100 24 16 15 6 4 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 0 0; 1HNMR: 79 79 d 1H J 71 | 76 75 m 3H | 74 74 d 1H J 9 | 70 69 tt 1H J 22 121 | 39 39 d 2H J 9 | 37 36 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(OC(=O)ON1C(=O)CCC1=O)OC(=O)C(C)C
ir: 7 4 6 9 11 5 8 5 7 10 18 8 5 5 5 3 4 2 2 3 2 2 2 3 3 5 3 4 3 3 5 5 3 2 2 13 3 2 2 2 3 2 2 3 2 2 2 3 2 2 21 5 3 4 3 3 2 2 2 2 2 6 3 2 2 2 3 3 2 6 7 3 3 4 3 8 6 5 5 6 4 3 9 9 3 3 3 3 3 2 2 2 2 3 3 4 5 2 4 3 2 2 3 2 2 3 7 7 4 6 12 8 10 13 3 15 13 8 4 5 6 5 8 5 2 4 5 6 15 4 25 3 3 3 3 2 2 2 3 2 2 3 4 8 19 15 74 58 4 3 5 2 17 100 9 7 4 0 1 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 4 8 3 5 4 3 3 5 7 4 36 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 71 70 q 1H J 52 | 28 28 s 3H | 26 25 hept 1H J 71 | 16 16 d 3H J 51 | 12 12 dd 6H J 37 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc2c(=O)[nH]c(=O)n(Cc3ccc(-c4cc(C)ccc4C#N)cc3)c2s1
ir: 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 4 3 1 1 3 1 2 2 2 1 1 1 2 1 1 1 1 2 3 1 1 2 1 1 2 2 1 1 1 2 11 11 45 7 2 3 2 1 1 3 1 0 1 2 1 1 1 2 2 1 2 2 1 0 1 1 1 2 3 1 1 1 1 2 2 2 2 5 2 1 1 1 2 1 3 1 1 1 1 1 0 1 1 1 1 1 2 3 1 2 2 1 1 1 1 1 1 1 2 2 2 2 2 6 5 1 2 1 1 1 2 5 0 2 2 8 2 1 3 1 1 2 2 8 2 2 10 16 1 2 1 0 1 3 2 0 1 3 4 100 3 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 1 1 2 2 2 7 13 4 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 12 15 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 m 3H | 75 75 m 1H | 75 74 dt 2H J 8 84 | 72 72 m 1H | 71 71 t 1H J 9 | 52 52 t 2H J 9 | 29 29 qd 2H J 9 68 | 24 24 d 3H J 9 | 13 13 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(S(=O)CC)c(F)cc2c1=O
ir: 12 3 3 5 3 4 2 3 4 3 4 5 2 5 4 7 45 4 4 3 6 8 3 9 4 8 3 2 3 3 3 7 3 3 4 4 22 7 13 5 3 2 4 9 3 6 3 8 15 22 52 2 4 6 6 41 8 6 16 7 3 1 5 3 9 18 26 13 22 16 5 6 9 3 3 10 6 3 2 3 3 3 2 3 4 4 5 26 6 3 18 13 4 3 2 2 3 3 3 29 2 3 3 2 3 3 5 10 8 4 4 2 9 7 6 5 7 13 28 11 6 7 19 4 8 4 2 5 4 2 0 5 17 9 6 1 77 4 2 3 4 2 99 9 13 100 28 5 34 59 3 10 83 19 9 7 3 4 4 6 20 93 3 0 2 40 3 2 3 3 2 1 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 4 3 3 3 4 7 4 3 3 5 5 4 7 19 15 9 20 51 19 23 21 13 5 3 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 s 1H | 80 80 d 1H J 121 | 72 71 dt 1H J 48 79 | 70 69 m 2H | 43 42 q 2H J 71 | 34 33 q 2H J 83 | 17 16 t 3H J 83 | 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.
CCC[C@@H](C)C[C@H](C#N)CC(=O)OCC
ir: 5 10 10 8 8 10 11 7 3 17 12 4 2 7 8 3 3 7 9 3 2 8 14 17 7 7 22 5 4 7 6 3 4 7 6 2 3 7 6 2 3 9 8 4 5 8 5 1 3 8 5 1 5 10 5 0 6 9 5 0 5 9 14 9 7 9 4 0 5 7 5 2 14 15 32 5 6 8 3 2 6 7 2 2 6 6 2 2 6 6 2 3 10 8 5 3 8 6 2 4 10 7 4 9 8 10 14 26 42 17 6 8 10 12 9 11 14 8 6 17 22 18 4 10 10 7 4 10 14 25 3 6 8 3 3 7 9 3 3 7 7 4 5 12 16 100 86 25 10 8 2 7 5 1 3 7 5 1 3 7 5 1 3 7 4 0 4 7 4 0 4 8 4 0 4 7 4 1 5 15 6 0 4 7 3 1 5 7 3 1 5 6 3 2 5 6 2 2 6 6 2 2 6 5 2 2 6 5 1 3 6 5 1 3 6 5 1 3 7 4 1 3 7 4 1 4 7 4 0 4 7 4 1 4 7 4 1 4 7 3 1 5 6 3 1 5 6 3 2 5 6 3 2 5 6 2 2 6 6 2 3 6 5 2 3 6 5 2 3 8 9 3 4 8 8 15 19 8 8 7 12 16 13 17 26 13 8 2 5 8 4 1 4 6 4 1 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 2 5 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 3 6 4 1 4 7 4 1 4 7 4 1 4 6 4 1 4 6 3 2 4 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 2 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 1 4 6; 1HNMR: 42 41 q 2H J 66 | 31 31 p 1H J 74 | 28 27 dd 1H J 72 158 | 25 24 dd 1H J 72 158 | 18 17 ddd 1H J 64 74 128 | 16 15 m 2H | 14 13 m 2H | 13 12 t 4H J 66 | 11 10 dddd 1H J 59 66 82 112 | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1csc(CO)c1
ir: 0 2 3 1 1 2 2 1 0 1 2 1 1 2 2 2 1 3 3 1 1 2 2 1 1 2 2 2 2 5 3 7 7 7 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 3 2 0 1 3 1 0 4 3 1 1 1 2 1 1 2 2 1 0 2 2 3 1 4 4 2 1 3 3 3 5 7 8 12 8 7 6 2 2 3 2 1 1 2 3 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 3 0 2 2 1 0 1 3 3 2 2 3 2 1 2 2 1 0 1 2 1 0 1 2 1 0 3 2 2 1 2 2 1 1 2 2 0 1 2 14 3 17 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 1 2 1 1 2 2 1 1 2 2 1 1 3 2 2 2 2 2 1 2 3 2 2 3 4 4 2 3 5 2 3 5 9 18 7 6 7 56 100 40 9 2 1 2 3 1 1 2 2 1 2 2 3 2 2 3 2 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 74 74 d 1H J 16 | 73 72 dt 1H J 9 18 | 47 46 dd 2H J 9 51 | 41 40 t 1H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Cc2cnc(NCCSCc3cc(CN(C)C)ccn3)[nH]c2=O)ccn1
ir: 9 5 8 11 12 13 10 6 7 6 9 4 10 7 11 37 33 6 15 17 26 7 6 3 9 9 34 15 6 4 5 14 12 14 10 5 7 14 8 7 8 16 14 21 31 48 79 69 25 9 9 7 7 9 5 6 4 2 13 6 12 2 10 13 27 7 5 34 22 9 17 7 4 3 32 7 3 4 4 3 4 4 3 11 6 3 3 10 20 4 6 40 8 13 20 6 5 6 12 5 8 6 5 12 13 6 6 3 5 9 8 9 15 6 4 4 4 5 4 6 12 12 6 19 13 6 4 5 2 3 7 3 2 2 3 2 8 24 11 7 5 3 4 4 12 19 79 57 100 38 18 38 25 18 10 0 2 4 4 9 50 11 47 16 8 3 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 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 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 2 2 2 2 2 2 4 4 6 2 2 2 2 3 3 12 10 4 10 30 16 17 14 8 13 3 2 3 4 3 3 3 2 2 2 4 3 2 4 6 5 12 32 40 80 21 19 11 8 7 7 5 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 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; 1HNMR: 84 84 m 2H | 80 80 d 1H J 45 | 77 76 t 1H J 13 | 71 70 m 2H | 70 69 ddt 1H J 9 20 46 | 65 65 dt 1H J 10 19 | 39 39 s 3H | 38 38 d 2H J 9 | 38 37 q 2H J 10 | 36 36 t 2H J 9 | 35 34 q 2H J 36 | 29 29 t 2H J 37 | 23 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCP(CCCC)(CCCC)=C1CC(=O)OC1=O
ir: 2 2 2 2 1 2 2 3 1 3 8 1 0 1 3 1 0 1 1 1 0 1 1 1 0 1 2 0 1 2 1 0 1 1 2 1 1 2 2 3 9 5 10 6 6 8 4 4 2 2 1 5 3 3 2 1 1 2 3 4 24 5 2 1 2 2 1 2 2 2 1 1 2 8 2 1 1 1 0 0 1 1 1 0 1 2 6 2 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 4 2 1 5 13 7 5 4 6 100 5 2 6 5 6 4 12 12 6 27 2 4 5 7 6 5 3 0 1 2 1 3 4 2 2 1 2 1 1 1 1 2 18 6 5 10 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 3 2 2 1 5 5 6 2 2 3 1 3 5 4 14 16 4 3 3 2 1 1 1 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 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: 32 32 s 2H | 24 23 tt 6H J 87 120 | 14 13 m 13H | 9 8 t 9H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc2cc(N[C@H]3CC[C@@H](C(F)(F)F)CC3)ccc2c1
ir: 3 12 3 9 6 4 2 4 15 33 33 18 52 15 6 6 16 6 5 5 8 11 4 9 9 7 4 3 5 2 4 3 3 1 2 3 3 4 1 2 2 1 1 2 2 2 3 4 5 1 4 6 5 25 51 0 4 4 2 0 3 4 7 4 3 3 5 16 12 34 6 5 4 4 3 3 5 4 3 8 5 8 6 14 33 63 78 35 11 22 24 14 30 6 4 2 5 7 9 13 13 29 37 16 11 7 6 6 26 64 27 18 29 16 6 2 2 2 2 3 2 5 4 8 14 6 4 6 5 7 5 4 2 2 3 5 4 2 4 32 27 7 10 4 6 25 17 9 12 5 2 1 1 1 1 4 3 100 49 10 2 2 1 1 1 1 1 1 2 6 1 0 1 1 1 0 1 0 1 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 4 7 4 7 7 8 3 4 5 11 12 5 22 50 22 17 4 7 6 8 9 18 17 4 1 1 1 2 1 1 2 2 3 4 6 33 41 39 54 24 8 9 2 2 3 3 2 2 2 3 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 21 84 | 77 77 t 1H J 19 | 77 76 dd 1H J 20 85 | 73 72 ddq 1H J 8 22 85 | 71 70 m 1H | 67 66 dd 1H J 21 85 | 48 48 dt 2H J 9 57 | 38 38 d 1H J 84 | 35 34 dtt 1H J 24 51 86 | 23 22 t 1H J 57 | 21 20 m 1H | 20 19 dddd 2H J 24 47 73 132 | 18 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(NC(=O)NCc3ccc(C(F)(F)F)cc3)cccc2cn1
ir: 2 3 2 3 10 4 1 1 1 1 2 2 1 4 13 5 9 13 5 9 14 3 3 6 7 3 3 4 5 2 1 2 6 7 4 3 5 4 19 19 22 12 14 11 20 5 10 4 16 14 4 9 4 15 12 17 12 3 2 2 2 2 1 1 2 1 9 7 5 5 8 6 2 2 2 2 6 10 3 18 4 1 2 2 1 2 3 2 2 4 2 2 1 3 4 3 2 3 7 24 14 9 4 5 3 2 2 2 0 2 6 6 100 31 0 2 3 2 2 3 6 6 3 4 6 5 5 5 4 2 2 2 2 2 2 2 6 15 5 9 4 1 4 4 5 3 8 100 70 59 59 23 7 8 4 1 1 3 2 4 33 3 1 0 1 2 2 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 1 2 3 8 9 6 21 78 32 10 6 4 2 3 2 1 2 2 1 1 1 2 1 1 3 6 4 5 7 7 10 40 44 23 7 3 3 2 3 3 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 0 0 1 1 0 1 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; 1HNMR: 88 88 d 1H J 19 | 84 84 s 1H | 77 77 dt 1H J 18 85 | 76 76 dq 2H J 14 74 | 75 73 m 4H | 73 73 m 1H | 70 69 t 1H J 52 | 41 41 dt 2H J 9 53 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(Br)ccc(N)c1C
ir: 7 16 10 10 7 7 5 5 5 5 7 4 4 3 3 4 3 3 3 2 3 5 5 2 3 4 4 4 3 4 3 4 3 3 3 3 2 3 3 3 3 3 2 3 2 2 2 4 3 2 2 6 30 19 15 0 2 3 3 2 3 3 3 2 3 3 2 2 2 3 3 3 3 3 4 5 10 11 5 3 2 3 3 3 3 4 4 3 2 2 2 2 3 2 3 3 6 6 8 5 2 2 2 2 2 2 2 2 6 9 4 2 3 3 3 4 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 3 3 3 2 2 3 3 3 2 3 3 11 20 11 30 23 9 8 2 67 45 10 5 3 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 3 4 3 4 3 3 3 3 3 11 6 8 12 17 13 3 3 3 3 2 3 3 2 2 2 3 2 1 3 4 2 86 50 2 6 5 2 1 3 3 2 4 8 100 59 60 8 4 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 4 4 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 72 71 d 1H J 77 | 65 65 d 1H J 77 | 40 40 s 2H | 28 27 q 2H J 72 | 22 21 s 3H | 13 13 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCCn1nccc1-c1ccc(Oc2ccc(F)cc2)cc1
ir: 1 3 3 1 3 2 3 2 3 14 14 3 6 3 1 2 4 2 6 2 1 1 1 2 2 1 1 1 1 1 2 1 3 1 1 1 2 2 1 1 3 6 2 2 2 2 2 1 2 3 6 18 11 6 47 100 74 16 7 5 2 4 2 1 4 2 3 1 8 24 1 1 1 1 0 0 1 1 1 1 1 2 3 15 4 15 2 8 4 3 1 1 2 4 5 1 1 2 2 2 1 4 0 1 1 1 0 0 2 2 4 4 3 5 1 1 3 4 1 3 2 2 2 7 5 8 3 2 3 1 1 2 3 4 5 3 2 4 1 2 1 2 3 1 0 10 37 41 27 8 6 4 18 2 2 2 1 1 0 1 1 0 0 2 2 0 0 1 0 0 0 1 0 0 1 1 0 0 1 6 1 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 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 2 2 2 2 2 2 2 1 2 3 3 3 10 12 20 69 22 23 24 9 7 3 2 1 1 2 1 0 1 0 1 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 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 m 2H | 76 75 d 1H J 37 | 73 72 tt 2H J 15 88 | 71 70 m 4H | 66 66 d 1H J 37 | 47 46 t 2H J 37 | 30 30 t 2H J 36
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1N1CCN(CCn2ccc3c2nc(N)n2nc(-c4ccco4)nc32)CC1
ir: 3 1 2 2 1 2 2 1 2 2 1 2 0 4 2 3 3 1 1 1 0 0 1 1 1 1 1 1 1 3 4 1 2 3 1 1 1 1 1 0 1 3 6 2 0 1 1 2 0 1 2 2 1 0 0 1 1 0 1 0 0 1 1 1 0 1 1 0 1 0 0 0 1 0 1 1 1 0 1 1 1 1 2 1 1 4 1 0 1 1 1 1 0 0 2 1 0 0 1 2 2 1 0 0 0 0 0 0 1 0 0 0 0 0 1 4 1 0 0 0 0 0 1 1 0 1 1 1 0 1 4 0 0 0 2 1 0 1 5 1 0 0 1 1 7 4 1 11 1 6 2 10 8 2 1 1 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 2 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 1 2 100 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 79 t 1H J 15 | 75 74 dt 1H J 9 42 | 74 73 d 1H J 42 | 73 72 dd 1H J 18 66 | 70 69 ddd 1H J 15 72 84 | 69 69 m 2H | 69 68 dd 1H J 15 72 | 68 68 dd 1H J 13 66 | 67 67 s 2H | 42 42 td 2H J 7 33 | 39 38 s 2H | 30 30 m 4H | 28 28 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(CN2CCOCC2)on1
ir: 41 19 11 11 23 7 38 59 47 41 23 27 15 11 8 5 7 2 1 4 5 3 2 6 5 17 15 13 15 15 2 5 24 6 2 4 3 1 1 4 3 3 4 5 3 0 2 4 8 5 3 12 8 18 12 13 19 1 5 11 4 33 11 3 9 4 4 4 5 1 7 23 48 67 35 15 8 8 8 36 29 16 10 8 11 27 16 15 4 2 6 7 5 15 25 8 9 16 35 20 18 17 14 49 18 5 6 3 0 3 4 4 11 17 74 50 9 7 11 5 5 8 9 24 22 15 15 20 11 4 4 3 2 10 16 2 1 3 6 4 26 9 4 2 1 7 7 100 17 6 3 1 2 4 3 1 4 17 7 1 2 3 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 3 3 2 1 3 3 1 2 3 3 1 3 6 4 3 11 7 7 6 3 5 3 7 5 27 47 15 7 8 25 33 10 8 5 3 4 9 3 1 3 3 1 1 3 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 68 67 t 1H J 9 | 42 42 d 2H J 7 | 39 39 s 2H | 37 36 m 4H | 27 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NCC1Cc2ccc(Cl)c(-c3ccccc3Cl)c2O1
ir: 2 1 1 3 2 3 7 2 3 2 1 1 2 1 2 1 3 2 7 7 2 4 1 1 1 0 0 2 2 1 0 1 1 1 1 2 2 4 1 3 9 2 21 16 3 1 1 2 2 0 1 7 16 4 3 9 10 2 1 1 1 4 2 1 1 2 2 4 17 8 8 6 4 10 4 4 7 2 1 1 3 5 5 1 5 3 2 19 2 1 1 1 1 3 15 7 2 4 4 1 4 2 2 2 2 4 5 2 1 3 1 1 5 1 1 1 1 2 3 0 0 1 3 1 5 4 2 3 1 1 1 1 0 2 4 7 19 7 2 3 9 12 3 2 3 5 10 9 4 1 1 11 4 1 1 0 1 6 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 18 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 1 0 0 0 1 1 0 1 4 4 2 1 1 2 2 2 8 10 29 26 100 35 10 12 3 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 1H J 18 75 | 74 74 dd 1H J 18 71 | 73 72 m 2H | 72 71 dt 1H J 9 82 | 71 71 d 1H J 81 | 42 41 tt 1H J 35 44 | 38 37 dd 1H J 35 110 | 35 35 dd 1H J 35 108 | 33 33 ddd 1H J 8 45 143 | 32 31 ddd 1H J 8 46 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Oc5ccnc(Br)c5)ccc(F)c43)ccc21
ir: 10 3 3 3 4 1 0 2 5 1 2 4 5 5 2 3 4 1 7 2 2 3 3 2 2 3 1 2 2 2 1 6 9 8 2 2 1 1 1 1 1 2 2 2 2 7 14 8 2 4 6 7 15 3 19 29 3 2 4 3 2 2 5 3 6 8 49 38 6 6 3 3 4 4 5 7 4 2 2 2 1 4 1 1 1 10 5 4 3 2 3 2 3 2 1 1 3 2 5 5 15 4 2 5 1 7 4 9 4 2 10 6 5 4 4 7 2 2 8 3 2 4 3 8 9 4 2 2 1 3 3 1 9 13 6 2 1 2 2 2 2 4 33 14 15 5 2 22 8 0 67 9 36 9 5 2 2 1 8 39 15 46 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 3 1 1 2 4 2 3 3 5 3 3 5 14 16 10 13 100 35 12 5 2 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 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 d 1H J 47 | 72 71 dd 1H J 7 89 | 71 70 m 2H | 69 69 dd 1H J 22 46 | 67 66 m 2H | 66 65 d 1H J 24 | 58 57 tdd 1H J 18 30 48 | 44 43 dd 1H J 35 113 | 42 41 dd 1H J 51 113 | 37 36 m 1H | 36 35 s 2H | 32 31 dddd 1H J 17 58 75 157 | 30 30 ddd 1H J 58 76 157 | 29 28 dd 1H J 82 167 | 27 26 dd 1H J 84 166 | 25 24 dddd 1H J 29 57 77 132 | 23 22 dddd 1H J 48 57 75 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc2c(N)cccn2c1C(=O)OCC
ir: 3 2 5 3 2 7 15 18 39 42 40 12 19 10 10 5 12 23 10 4 3 3 4 3 2 4 5 4 4 3 4 2 3 6 3 1 4 5 2 3 4 3 2 1 8 21 30 13 7 7 10 5 3 5 4 2 4 3 2 3 3 4 3 2 2 4 4 1 4 7 5 5 4 8 6 5 3 4 7 2 2 3 1 2 5 22 3 2 2 3 2 6 14 5 3 2 2 3 2 3 10 4 2 2 3 2 1 2 7 4 1 24 6 7 10 4 3 4 6 6 7 3 2 3 6 3 6 4 12 24 5 3 2 2 2 2 1 2 2 2 3 2 2 2 2 6 10 52 34 0 6 8 44 83 7 16 4 2 2 20 36 31 9 4 3 3 3 3 2 1 2 2 2 1 2 2 2 1 2 2 1 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 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 2 1 3 2 2 2 3 2 2 2 3 3 9 17 4 3 1 14 17 14 12 10 14 4 1 2 3 2 0 2 3 1 0 3 11 32 7 3 3 1 1 3 3 2 1 14 16 100 42 2 1 3 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 1 1 2 1 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 2 2 2 1 1 2 2 1 1 1 2 1 1 2 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; 1HNMR: 93 93 dd 1H J 13 84 | 74 73 t 1H J 82 | 68 67 dd 1H J 13 80 | 63 63 s 2H | 44 43 p 4H J 63 | 14 13 t 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(F)C=C(F)C=NC1
ir: 1 1 2 1 4 5 5 5 6 6 4 4 1 1 0 1 1 1 1 1 1 3 6 12 9 10 8 4 0 1 1 0 1 1 1 1 0 0 0 0 1 2 2 2 3 3 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 0 5 14 21 51 39 25 6 3 2 0 1 1 1 1 1 1 0 0 1 1 1 1 3 3 1 0 2 3 2 1 1 1 0 0 2 1 8 4 3 2 3 2 8 8 2 2 89 11 4 2 1 0 0 1 1 3 2 7 22 11 20 2 2 1 1 3 5 5 3 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 2 7 100 26 1 2 7 5 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 1 0 1 1 1 2 4 5 3 2 3 3 4 2 14 21 12 9 3 10 8 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dq 1H J 10 200 | 57 56 tq 1H J 10 74 | 44 43 tt 1H J 9 119 | 42 41 tt 1H J 10 116
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(C(=O)N2CCCC(c3ccc(Cl)cc3)C2)cn1
ir: 11 11 4 7 8 7 4 5 7 4 4 8 14 29 14 12 6 4 1 4 5 2 1 4 4 2 3 5 5 2 2 5 7 7 3 7 22 18 14 48 55 31 21 33 12 15 9 10 12 52 23 23 30 54 45 8 15 9 7 5 3 2 5 6 5 5 7 17 11 22 11 10 5 2 5 5 3 3 2 3 2 2 3 2 3 4 7 13 6 8 25 83 4 20 12 15 6 3 11 4 4 4 12 7 4 10 12 7 1 7 7 7 12 12 16 7 8 6 13 15 16 20 8 9 25 20 84 45 28 17 14 8 9 17 10 6 6 11 5 2 2 5 5 5 7 13 9 51 100 30 12 10 51 14 6 6 5 6 5 15 17 9 3 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 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 3 1 1 3 3 1 1 4 3 1 1 4 3 2 4 5 4 4 4 8 8 5 3 8 6 10 9 12 21 45 54 48 37 23 10 25 28 11 5 4 7 2 3 3 2 1 2 3 2 2 2 3 2 1 3 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 79 78 s 1H | 77 77 s 1H | 73 72 m 2H | 72 71 m 2H | 41 40 dd 1H J 46 117 | 40 40 qd 2H J 9 50 | 39 38 dd 1H J 46 119 | 35 34 m 2H | 31 30 ddt 1H J 45 55 62 | 20 19 m 2H | 18 17 m 2H | 14 13 t 3H J 50
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cccc3c(N)ncnc23)c1OC
ir: 13 5 4 4 6 9 2 5 6 1 2 5 4 3 3 2 3 7 3 5 5 3 6 3 7 5 10 6 7 4 13 14 14 14 13 5 9 10 10 4 7 18 8 27 14 16 100 13 5 4 4 8 5 12 7 49 33 9 12 10 3 3 3 3 1 3 3 3 12 12 8 5 7 2 3 4 2 1 2 2 1 1 2 2 2 3 19 23 2 2 3 3 1 2 2 2 1 2 6 15 3 3 9 11 14 11 8 10 26 3 5 7 1 2 2 2 0 2 3 4 24 18 7 14 7 3 2 3 1 3 10 1 4 3 3 3 3 2 4 3 3 5 8 23 24 10 42 10 14 11 23 20 7 5 6 8 12 3 2 3 3 16 4 3 18 4 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 0 0 1 2 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 1 1 3 1 0 1 5 8 3 5 27 8 4 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 7 19 6 2 4 3 14 13 12 93 17 9 43 31 5 2 1 2 2 1 1 2 1 0 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 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; 1HNMR: 92 92 d 1H J 48 | 86 86 s 1H | 84 83 m 2H | 82 81 dd 1H J 11 90 | 76 75 dd 1H J 90 97 | 74 73 dd 1H J 47 81 | 71 70 dd 1H J 81 103 | 70 70 s 2H | 38 37 s 3H | 31 31 t 2H J 78 | 19 17 m 2H | 11 10 t 3H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC)Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Br
ir: 4 4 3 5 9 3 2 3 1 3 4 8 1 3 5 6 3 2 2 3 5 2 2 5 2 1 1 1 1 3 18 8 3 5 3 2 4 3 1 2 5 2 1 1 2 2 1 0 2 2 1 3 3 32 91 67 12 5 3 4 2 5 10 9 3 3 32 44 15 13 10 4 4 2 9 10 9 10 6 3 3 2 3 2 7 5 7 7 2 5 19 8 6 3 12 15 7 8 58 20 1 14 4 2 2 4 4 4 10 19 5 7 10 100 12 12 15 9 13 8 3 5 12 4 5 13 15 12 3 7 2 2 1 2 5 1 0 2 3 5 15 3 4 3 78 14 6 7 27 43 5 5 5 17 7 2 1 1 1 1 2 8 10 11 1 2 1 0 0 1 0 0 0 1 0 0 1 2 1 0 0 1 0 0 0 1 0 0 1 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 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 4 4 4 2 2 4 2 4 3 2 6 3 6 10 21 26 17 53 90 72 17 13 7 3 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 1 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 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 dt 1H J 11 20 | 77 76 dtd 1H J 14 27 73 | 76 75 d 1H J 88 | 72 71 d 1H J 71 | 69 69 dd 1H J 23 87 | 65 65 d 1H J 23 | 46 45 tq 1H J 15 57 | 43 41 m 2H | 21 20 dqd 1H J 57 80 135 | 19 17 dqd 1H J 58 80 136 | 11 10 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)Cl)ncc1Br
ir: 4 49 4 7 2 3 4 3 4 8 4 23 12 14 7 3 2 6 5 4 3 4 4 9 9 12 5 2 3 4 4 3 3 4 5 4 19 8 5 2 3 5 4 2 3 5 4 2 4 9 18 3 3 4 3 2 3 4 3 3 4 4 3 6 15 10 7 4 9 10 5 11 18 5 4 3 4 4 3 3 5 4 24 4 7 4 4 3 4 4 5 28 8 30 17 5 4 4 3 3 4 4 2 3 4 3 3 3 5 4 3 5 10 4 4 5 17 5 4 4 4 4 3 4 5 7 7 14 23 27 50 6 4 3 3 4 4 3 3 5 23 5 3 4 3 3 4 4 3 3 3 4 4 3 3 3 3 3 4 1 100 0 4 5 4 2 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 5 4 3 3 4 4 4 4 4 5 3 5 5 5 13 16 9 15 11 18 6 3 3 4 4 3 5 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 90 90 s 1H | 83 83 s 1H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(Cc2ccc(Cl)cc2)C1=O
ir: 24 4 0 5 7 4 1 5 9 6 2 22 5 6 3 11 19 3 4 11 7 2 1 4 5 38 8 7 7 2 2 15 8 5 2 6 6 48 18 8 4 2 3 6 5 3 12 9 10 1 4 14 12 12 44 100 40 11 5 6 6 4 9 15 18 8 5 6 7 3 6 17 3 3 5 5 3 2 7 26 9 4 6 5 2 12 10 10 3 3 5 5 4 14 56 11 2 5 9 12 6 14 8 5 9 15 18 10 2 5 16 16 29 10 12 9 4 6 15 12 11 12 20 12 16 14 7 3 3 7 6 7 7 15 8 4 3 4 5 3 3 7 22 50 28 23 35 39 8 9 4 4 4 6 4 1 3 7 4 1 3 5 3 1 3 5 3 0 3 6 3 0 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 3 5 7 5 4 6 10 8 6 7 14 10 12 15 29 27 40 72 47 76 7 24 20 5 1 5 6 3 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 3 4 3 1 3 4 3 1 3 5 3 1; 1HNMR: 73 72 m 2H | 72 71 dt 2H J 9 80 | 30 29 ddt 1H J 8 61 131 | 28 27 m 2H | 19 17 m 2H | 17 16 ddd 1H J 62 80 130 | 16 15 m 1H | 12 11 s 2H | 11 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N(C)C)Oc1ccccc1-3
ir: 10 4 8 6 6 22 5 13 8 10 7 5 8 4 3 4 1 6 4 4 4 6 15 9 8 5 4 6 1 8 2 3 3 7 7 5 3 7 5 8 7 4 5 55 6 8 3 2 5 5 3 2 7 6 8 16 17 13 2 2 6 12 3 7 7 8 19 8 16 6 8 2 6 6 4 16 12 7 4 3 3 3 1 5 3 3 1 1 3 4 2 2 6 4 2 2 4 2 1 1 3 4 7 3 4 7 4 2 5 6 9 16 10 8 7 9 12 19 6 21 9 8 27 13 31 14 4 8 11 4 6 11 8 10 4 9 6 2 8 14 3 6 17 5 5 10 10 100 10 5 2 5 4 14 3 3 2 0 1 4 3 1 1 3 2 2 1 3 2 0 2 3 2 0 2 3 1 0 3 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 3 2 2 5 3 2 4 7 4 3 4 8 6 3 26 15 11 71 72 20 7 5 5 4 5 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 80 79 m 1H | 79 78 m 2H | 76 76 dd 1H J 13 70 | 73 73 td 1H J 13 77 | 72 72 td 1H J 13 73 | 70 70 dd 1H J 13 81 | 51 50 t 1H J 41 | 46 45 dd 1H J 40 143 | 43 42 dd 1H J 40 143 | 39 39 s 2H | 30 29 s 5H | 28 28 p 1H J 54 | 20 19 m 2H | 17 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.