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CC(C)(C)OC(=O)N1CCCC2(C1)C(=O)N=CN2c1ccccc1
ir: 4 3 5 7 8 4 3 7 11 7 13 19 15 4 1 8 6 1 2 9 7 12 4 4 3 3 4 3 3 5 17 100 12 16 5 5 3 1 2 5 1 6 23 15 4 1 1 3 2 4 2 1 2 6 6 2 1 1 2 1 1 2 6 1 1 2 2 2 5 8 2 1 1 0 2 1 4 7 3 2 4 11 9 1 2 1 4 2 1 1 1 0 4 4 4 5 6 8 4 2 3 3 2 21 18 6 7 6 3 7 34 45 18 24 22 2 3 5 11 14 24 50 64 88 30 8 4 8 5 14 8 21 9 9 9 11 3 1 2 3 3 3 8 15 11 7 39 6 2 0 13 73 11 7 16 30 2 0 1 1 1 33 7 2 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 1 0 1 1 1 1 0 1 2 6 2 1 4 8 4 4 2 2 3 3 9 15 43 13 20 25 29 10 9 3 1 2 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 73 72 m 2H | 70 69 m 2H | 68 67 tt 1H J 14 78 | 41 41 d 1H J 115 | 39 38 d 1H J 115 | 37 36 ddd 1H J 37 65 122 | 35 34 ddd 1H J 37 62 122 | 23 23 ddd 1H J 47 72 121 | 21 20 m 2H | 19 18 m 1H | 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)n1nc(-c2cc(NC(=O)c3ccccc3)cnc2-c2ccccc2)ccc1=O
ir: 1 1 3 2 2 1 2 4 1 1 0 1 1 2 3 3 2 1 1 1 2 5 2 3 3 2 3 23 3 3 3 7 5 3 4 14 17 42 18 15 21 15 18 1 3 3 3 2 4 5 2 0 2 1 2 3 18 16 4 4 3 2 1 1 1 2 2 8 10 6 4 0 3 2 7 8 4 3 8 12 3 1 1 0 1 1 1 2 1 1 1 7 6 1 1 1 3 3 1 1 5 4 2 2 3 2 4 8 3 2 2 4 2 3 9 7 9 3 2 4 6 2 2 4 6 10 16 2 4 9 23 9 4 3 14 7 2 1 2 3 13 48 100 14 8 27 12 24 45 96 13 10 2 2 4 7 6 2 1 3 1 3 1 3 2 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 4 8 1 10 9 18 67 53 8 13 9 5 1 2 2 1 1 1 1 2 1 2 2 2 1 1 1 4 3 2 11 23 12 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 87 87 d 1H J 18 | 83 82 d 1H J 16 | 80 79 dt 2H J 11 78 | 77 77 d 1H J 95 | 77 76 m 2H | 75 74 m 7H | 68 68 d 1H J 93 | 43 42 p 1H J 69 | 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.
CC(C)(C)C(=O)CS(=O)(=O)C1CCCCC1
ir: 13 26 71 32 20 27 31 25 14 15 9 6 4 5 3 4 2 1 1 12 4 2 1 1 2 1 1 1 2 1 1 4 3 1 2 5 6 7 5 5 14 16 7 4 3 1 4 4 5 10 8 5 4 3 5 11 4 3 3 4 1 24 12 6 2 3 5 6 23 21 30 14 9 6 5 4 4 6 4 13 7 4 3 5 4 100 56 13 20 4 4 4 8 2 4 10 4 5 15 12 36 33 31 14 14 11 13 10 22 11 6 29 69 20 9 15 6 5 10 10 7 13 12 8 10 27 29 15 21 28 59 18 7 10 12 4 2 7 3 2 11 83 16 5 2 2 2 1 2 2 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 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 0 4 5 6 7 9 12 20 17 8 10 22 10 25 18 65 50 13 4 2 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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; 1HNMR: 46 46 s 2H | 30 29 p 1H J 75 | 21 20 dddd 2H J 63 76 88 139 | 18 16 m 5H | 16 14 m 5H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(-c2c(C(F)(F)F)oc3cc(O)ccc3c2=O)s1
ir: 3 2 2 2 2 3 3 1 0 4 15 4 7 3 4 3 1 5 6 2 3 21 2 1 4 3 3 0 2 1 1 1 1 3 2 2 3 4 3 3 2 3 2 2 8 10 6 21 7 3 1 1 2 8 32 22 1 2 4 1 1 3 1 0 14 4 21 21 2 2 1 1 1 2 3 1 2 1 1 16 34 8 6 6 28 7 2 4 7 3 3 1 18 4 1 1 2 13 10 3 3 1 2 1 1 1 0 1 2 1 0 1 1 1 1 2 1 1 6 4 1 1 1 5 28 6 1 1 2 1 1 3 4 0 13 6 1 1 1 1 1 1 1 2 2 1 1 1 2 43 6 13 6 5 2 1 14 0 1 2 1 1 1 2 14 31 2 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 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 0 0 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 3 0 2 8 10 36 36 9 3 5 3 3 3 42 100 8 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 m 2H | 78 78 d 1H J 75 | 69 68 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)N2CCN(Cc3cccc(C(=O)NC(C)(C)C)c3)CC2)ccc1N
ir: 3 2 3 3 2 9 5 9 7 5 4 5 3 8 5 6 3 2 1 3 3 1 2 2 5 2 2 1 1 4 1 2 3 2 1 1 3 5 11 49 39 13 6 5 6 5 2 4 2 2 2 1 1 3 2 4 2 2 1 3 2 1 2 3 5 3 4 2 2 10 3 2 1 1 1 3 2 3 5 7 3 3 3 4 2 3 2 1 1 1 2 4 1 3 1 1 1 2 2 4 1 2 2 2 5 1 1 1 1 1 0 1 2 4 2 1 0 1 1 4 9 4 3 3 2 2 7 4 5 2 7 4 10 3 2 3 2 2 2 9 16 4 3 11 37 7 7 33 8 6 4 5 6 5 13 24 17 3 1 3 1 1 2 3 2 1 0 1 0 0 1 0 1 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 2 1 1 1 1 1 2 1 1 1 1 1 4 6 4 4 16 12 5 3 3 1 0 1 1 1 0 1 2 1 1 2 3 1 0 23 1 2 5 5 18 26 6 4 3 7 35 100 11 2 1 0 1 1 1 0 0 1 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 tq 1H J 9 17 | 78 77 m 1H | 76 75 dd 1H J 21 85 | 74 73 m 2H | 72 71 dd 2H J 33 53 | 66 66 s 1H | 40 39 s 2H | 39 39 s 3H | 38 37 dt 2H J 44 114 | 36 36 d 2H J 8 | 35 34 dt 2H J 44 114 | 28 28 t 4H J 44 | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCc1ccc(C2(C)CC(N)(C(=O)O)CO2)cc1
ir: 1 3 2 1 1 2 3 5 2 3 2 4 3 2 4 2 10 13 17 6 10 19 32 34 9 9 5 4 3 1 1 2 2 3 3 2 2 5 1 3 2 1 2 1 1 2 1 2 2 1 3 2 2 2 8 17 18 8 4 2 5 6 8 11 10 8 5 3 11 6 6 5 7 4 4 3 18 28 8 23 21 3 5 5 7 4 4 4 2 4 4 2 3 3 4 5 3 5 3 6 2 5 4 4 1 2 5 3 2 2 4 3 2 6 5 2 3 5 6 3 2 2 5 6 4 7 9 5 8 10 7 13 100 44 17 2 1 3 3 0 0 3 8 12 39 6 3 3 4 9 2 0 1 15 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 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 1 2 1 2 2 2 5 3 1 1 2 2 3 2 6 8 7 13 13 4 1 1 2 2 1 2 3 4 39 4 2 5 18 16 4 2 1 3 3 3 37 13 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 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; 1HNMR: 100 100 s 1H | 72 72 m 2H | 70 70 dt 2H J 9 79 | 53 52 s 2H | 43 42 d 1H J 124 | 40 40 d 1H J 124 | 29 29 d 1H J 152 | 27 26 m 3H | 17 16 m 2H | 16 15 s 2H | 13 12 m 11H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c(O)c3ccccc3nc12
ir: 4 4 4 4 4 4 5 4 4 4 4 4 4 5 4 4 4 5 5 5 4 4 4 4 4 4 5 4 4 12 6 3 3 5 4 3 4 4 4 3 4 5 5 6 31 8 46 28 5 3 4 5 4 4 6 5 4 4 4 4 8 8 4 4 4 4 4 5 7 6 4 4 8 5 11 10 8 9 13 24 5 3 6 5 16 13 6 4 3 3 4 4 4 4 4 4 6 6 5 5 4 4 4 5 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 4 4 5 8 11 4 4 4 4 16 8 5 4 6 7 5 13 6 5 6 16 6 3 4 8 5 3 4 17 4 3 12 3 4 4 4 4 4 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 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 6 10 13 51 25 6 5 4 4 6 4 23 100 0 5 6 3 3 4 5 3 3 4 4 3 3 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 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; 1HNMR: 82 82 dd 1H J 13 88 | 80 79 dd 1H J 14 75 | 78 77 td 1H J 11 70 | 77 76 dd 1H J 13 90 | 75 75 ddd 1H J 13 69 85 | 73 73 m 1H | 71 70 dd 1H J 12 89 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1ccccc1)c1ccc(F)c(F)c1
ir: 1 1 2 1 1 2 2 1 0 3 2 1 0 1 2 1 1 3 2 1 1 2 1 1 0 2 3 1 1 3 8 5 4 5 2 1 1 1 4 1 8 32 17 1 2 1 3 4 4 1 1 1 2 9 29 20 3 2 1 4 6 2 1 1 2 2 5 8 10 12 5 3 2 5 6 4 10 6 4 8 5 3 2 1 2 1 1 1 1 2 2 2 1 2 1 1 2 2 1 1 1 1 0 1 1 1 0 1 2 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 2 14 13 3 0 2 2 3 2 3 43 6 2 4 2 13 6 5 9 7 6 4 1 1 1 2 6 2 3 22 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 4 4 9 10 100 41 7 5 2 2 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 ddd 1H J 47 92 102 | 73 72 m 2H | 71 70 ddt 1H J 13 73 90 | 70 70 ddd 1H J 23 37 92 | 68 68 m 3H | 33 33 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1ccc2c(ncn2C2CCCCO2)c1Cl
ir: 7 18 12 7 5 6 6 7 6 15 6 5 3 7 4 2 3 4 4 3 3 3 3 15 9 43 33 100 38 20 27 5 6 6 8 2 4 11 5 6 5 6 4 2 2 6 5 2 3 6 6 5 13 15 27 10 9 6 4 1 5 7 6 0 3 5 3 8 5 10 8 5 4 6 3 4 3 7 12 8 5 5 3 3 3 3 2 2 5 4 1 3 5 7 4 4 6 12 11 12 10 7 13 17 29 6 4 8 17 17 48 14 22 9 8 5 3 4 3 17 31 15 0 12 9 12 6 8 17 10 5 14 15 11 1 4 4 1 2 4 7 16 50 26 14 30 50 42 28 34 10 4 20 6 3 4 3 3 5 4 10 2 2 4 3 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 3 4 2 2 3 4 2 1 3 3 2 1 3 3 1 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 2 2 4 4 4 6 6 5 6 4 7 6 5 6 8 8 18 31 15 14 40 21 18 8 3 4 8 5 3 5 5 3 4 6 6 3 2 3 3 3 4 7 13 22 73 88 69 8 8 10 4 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 83 82 d 1H J 8 | 75 74 dt 1H J 8 84 | 74 73 d 1H J 84 | 59 58 m 2H | 47 47 dd 2H J 8 56 | 39 38 m 1H | 37 37 m 1H | 24 23 dddd 1H J 29 45 97 104 | 21 20 dddd 1H J 29 43 74 132 | 19 18 m 1H | 18 16 m 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(SC)=C(C#N)C#N)c1
ir: 5 5 4 6 6 7 6 6 6 5 5 5 5 6 5 8 8 5 7 8 8 8 9 9 6 16 12 8 5 6 8 17 18 9 8 6 5 5 5 5 5 6 10 8 10 16 21 23 42 0 5 7 5 3 5 6 6 5 14 14 7 5 6 9 8 8 12 17 26 11 16 14 8 7 5 5 4 5 8 8 5 6 10 6 5 5 5 5 5 6 5 12 17 5 7 6 5 4 6 10 14 5 5 5 4 5 6 7 4 5 7 5 3 4 7 12 13 34 23 11 7 6 6 7 5 7 13 15 6 6 6 4 4 5 5 4 5 10 49 46 42 10 8 8 6 6 5 6 4 5 5 11 11 13 7 17 28 10 5 6 10 12 9 6 5 5 5 4 5 5 5 4 5 5 5 5 5 5 4 4 10 22 5 7 8 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 4 5 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 5 5 5 5 4 6 5 6 4 5 6 5 4 5 7 7 5 6 9 10 10 9 20 21 8 30 100 88 15 10 9 5 6 6 5 6 6 6 5 4 5 5 5 5 5 4 5 5 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4; 1HNMR: 74 74 ddd 1H J 10 21 75 | 73 73 t 1H J 77 | 71 71 t 1H J 20 | 69 69 ddd 1H J 10 18 80 | 38 38 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2CN(c3ccc(C)cc3)CN(c3ccc(C)cc3)C2)cc1
ir: 7 3 2 3 2 1 2 1 1 3 3 6 18 7 2 2 7 5 1 2 6 5 4 1 2 1 1 1 2 0 0 1 1 3 2 0 1 1 0 0 0 1 1 0 0 1 1 1 2 4 3 4 24 63 50 17 7 3 2 5 2 0 3 5 2 5 4 4 9 20 28 33 12 3 2 1 2 2 1 2 1 0 2 2 1 11 8 8 10 30 14 7 2 2 4 6 15 27 17 35 61 8 5 2 3 1 2 1 2 3 4 2 1 1 1 1 1 1 1 2 3 3 4 6 4 1 2 3 3 3 2 3 10 4 4 1 1 1 1 0 0 1 1 1 2 1 4 5 9 59 42 15 11 22 3 2 1 1 1 0 1 2 3 41 2 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 1 2 3 2 3 5 6 5 44 100 65 6 8 7 5 3 4 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 0; 1HNMR: 72 71 dq 7H J 8 85 | 69 69 m 7H | 47 47 s 5H | 24 23 d 9H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(F)cc2F)C(=O)C1
ir: 3 1 0 1 0 1 1 2 1 1 4 2 2 2 2 1 4 3 3 5 4 2 6 5 4 3 4 4 2 1 1 3 3 2 13 3 14 25 16 9 1 4 8 3 8 2 2 7 13 3 11 9 5 11 9 5 5 3 5 1 1 2 1 1 1 1 2 5 6 1 1 0 1 1 0 0 1 0 0 0 1 4 1 1 1 1 3 3 10 11 4 3 1 3 4 4 3 2 2 3 1 2 1 3 2 2 1 1 1 1 3 2 4 4 2 17 10 5 8 5 13 12 17 18 9 4 3 2 7 11 8 2 1 1 14 3 1 1 2 4 15 3 11 15 14 6 14 65 30 25 3 19 18 2 3 5 2 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 2 2 1 3 2 1 1 1 2 2 1 11 8 13 100 29 15 5 2 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 dd 1H J 15 79 | 76 75 dd 1H J 15 83 | 75 74 t 1H J 81 | 73 72 m 1H | 70 69 m 2H | 42 41 s 2H | 40 39 m 2H | 38 38 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(C)(C)c2ccccc2O1
ir: 3 3 1 1 8 2 1 1 3 2 2 1 3 2 2 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 4 23 3 3 3 10 80 100 10 1 2 3 5 2 1 2 1 0 1 1 1 1 4 2 2 1 2 3 8 8 3 2 4 8 2 2 1 1 4 8 7 5 2 1 1 1 3 11 1 1 2 2 2 2 2 2 2 2 4 3 2 3 2 6 3 3 2 8 2 2 2 2 1 1 3 2 2 1 2 1 1 5 9 8 9 8 8 3 1 2 4 5 6 17 16 9 6 5 4 3 6 19 42 5 3 7 8 70 50 2 1 2 5 23 12 3 1 1 2 1 1 1 2 7 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 2 1 3 5 2 1 2 3 3 1 2 2 5 11 11 31 33 13 25 28 42 8 3 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 dd 1H J 13 76 | 72 72 ddd 1H J 13 62 73 | 71 70 td 1H J 11 73 | 69 68 dd 1H J 12 62 | 21 21 s 2H | 14 13 d 12H J 37
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccccc1C(F)(F)F)N1CCN(c2ccnc3cc(Cl)ccc23)CC1
ir: 1 3 2 2 2 2 1 1 1 2 1 1 2 5 2 3 1 4 1 2 3 2 4 3 8 3 2 1 1 1 1 1 1 1 1 1 3 4 5 2 14 2 13 4 2 3 2 2 4 4 3 3 1 1 1 2 3 3 2 2 2 2 2 4 3 2 2 2 21 6 2 1 3 3 5 3 3 1 1 1 1 1 4 2 1 1 1 2 3 6 3 3 2 2 2 2 5 5 6 20 4 4 1 1 2 1 0 5 4 1 1 3 2 1 2 2 2 5 3 5 6 2 4 4 4 2 4 3 2 1 2 1 1 3 3 2 4 8 2 2 3 2 4 13 6 5 12 64 4 20 2 6 100 3 2 7 2 1 1 0 20 4 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 3 1 2 1 2 2 1 2 3 3 4 7 34 13 4 2 2 2 1 1 1 1 1 1 1 2 2 2 1 2 3 3 3 2 4 5 9 18 3 3 3 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 87 d 1H J 51 | 82 82 d 1H J 21 | 82 81 d 1H J 89 | 76 76 dp 1H J 14 103 | 76 75 dd 1H J 22 90 | 74 74 m 2H | 73 72 td 1H J 13 71 | 72 71 d 1H J 51 | 63 63 t 1H J 54 | 47 47 dd 2H J 9 53 | 35 34 m 4H | 33 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(N)=O)sc2ncnc(Nc3ccc(F)cc3O[C@H]3CCN(C(=O)OC(C)(C)C)C3)c12
ir: 3 1 1 3 16 9 7 6 4 8 30 3 5 3 8 5 3 6 8 6 16 9 2 7 4 3 4 9 26 6 6 3 3 4 3 1 1 5 7 0 26 32 4 30 19 9 8 3 2 3 2 4 2 2 8 26 3 2 2 1 2 6 3 3 4 3 25 15 16 3 2 2 2 1 2 16 2 2 1 1 3 4 3 1 2 1 1 3 2 2 2 5 2 2 1 1 6 3 1 1 10 4 3 5 18 5 3 3 2 2 5 11 5 2 9 9 3 17 1 6 8 3 3 3 3 3 8 5 4 3 5 4 4 28 9 3 8 2 2 1 1 1 1 1 1 2 16 1 1 6 17 41 12 13 21 7 11 47 100 11 3 1 1 10 2 1 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 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 1 3 2 1 1 2 3 2 3 13 7 2 17 16 5 2 0 1 2 1 0 1 2 1 1 1 2 1 2 5 44 4 0 2 3 4 7 33 74 12 6 10 29 81 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1; 1HNMR: 85 84 s 1H | 84 83 s 1H | 75 74 s 2H | 73 72 dd 1H J 47 79 | 69 69 ddd 1H J 22 79 101 | 67 67 dd 1H J 21 121 | 51 51 dddt 1H J 15 23 33 41 | 40 39 m 1H | 37 36 m 3H | 36 35 ddd 1H J 54 72 123 | 27 26 s 3H | 23 22 m 1H | 21 20 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1OC(OC)C(C)=CC1C
ir: 14 17 9 11 2 14 9 9 4 4 5 2 1 1 3 3 1 3 4 1 4 5 3 2 2 6 3 1 1 1 2 1 36 4 2 1 0 1 1 0 0 1 1 0 1 4 3 1 3 5 3 11 8 12 12 10 5 8 2 2 8 24 4 2 3 4 14 5 14 4 8 15 6 24 32 27 7 21 12 10 38 9 3 5 4 2 2 1 1 1 0 4 13 3 2 3 3 20 19 4 7 3 18 15 6 6 7 10 21 21 8 11 9 5 4 14 8 10 28 12 30 11 9 3 4 4 5 6 9 13 6 8 6 3 1 1 2 1 1 3 2 12 5 38 100 5 6 8 1 1 2 1 1 1 1 1 1 9 6 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 1 1 1 1 1 1 1 1 1 2 5 6 4 1 2 1 1 2 2 3 3 12 11 8 11 21 6 44 13 3 2 1 0 1 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 56 56 m 1H | 51 51 dq 1H J 14 29 | 43 42 dp 1H J 16 73 | 37 37 s 2H | 34 33 d 3H J 15 | 28 28 m 1H | 18 17 q 3H J 14 | 11 11 dt 3H J 13 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=C1C=CC=C(Nc2ncc(F)c(NC3=CC=CC(=CC(=O)OC)C3)n2)C1
ir: 7 19 8 2 4 4 5 5 2 5 3 3 5 3 4 3 11 8 11 19 23 13 8 5 2 3 5 3 3 12 14 15 3 1 2 1 1 3 2 1 2 2 6 10 6 2 2 2 2 3 1 2 4 4 17 77 46 26 9 2 2 2 2 2 2 2 3 4 7 6 5 3 1 2 10 12 9 6 3 1 1 2 1 1 1 2 3 5 2 1 1 1 1 2 2 10 7 17 19 15 4 3 4 11 10 10 2 2 1 1 1 3 7 5 11 4 3 4 3 3 2 5 10 5 9 2 3 3 2 1 1 1 4 2 3 1 1 3 6 13 16 4 11 25 19 5 66 39 4 0 1 11 16 100 8 8 3 43 2 13 23 78 10 6 12 14 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 2 1 2 1 5 7 6 18 16 16 5 4 2 1 1 2 2 1 1 1 1 1 1 2 2 1 2 4 3 3 6 11 10 12 38 61 22 5 4 2 2 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 86 86 s 1H | 86 85 d 1H J 31 | 79 78 d 1H J 139 | 71 70 ddt 2H J 10 74 85 | 69 69 dp 2H J 11 88 | 64 63 ddd 1H J 8 16 73 | 63 62 dq 1H J 10 73 | 57 57 q 2H J 10 | 37 37 s 6H | 27 26 dp 4H J 9 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2)c1
ir: 2 3 2 8 5 2 1 2 2 6 30 3 2 2 1 1 1 1 2 2 2 2 3 4 13 32 14 8 4 2 2 3 3 2 3 7 7 11 7 1 1 1 2 1 2 1 9 7 2 4 3 1 2 1 10 18 17 7 4 7 2 3 1 0 11 19 64 11 5 8 2 5 3 0 2 3 1 1 10 7 3 3 4 35 4 17 48 2 3 5 2 9 3 2 1 1 2 1 1 3 4 9 3 5 8 9 7 7 24 1 0 1 2 1 0 1 2 3 6 8 8 14 6 3 4 7 7 3 2 4 1 1 2 1 1 1 2 3 12 2 4 6 13 100 6 1 2 4 2 2 12 21 7 6 5 8 4 1 1 2 13 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 3 2 2 1 2 1 1 1 1 2 9 8 9 5 18 30 61 15 12 6 3 2 2 3 1 1 2 1 2 1 1 2 1 2 2 1 1 2 2 3 3 5 12 16 9 6 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 5H | 78 77 d 1H J 86 | 77 76 m 2H | 75 74 ddd 1H J 13 22 75 | 74 74 t 1H J 76 | 73 73 t 1H J 21 | 72 72 m 1H | 32 32 s 3H | 20 19 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1n[nH]c(O)c1-c1ccccc1
ir: 8 9 10 9 10 9 9 9 8 12 13 9 9 8 8 9 18 14 12 9 9 11 9 8 8 8 8 8 9 10 11 10 17 17 14 10 9 9 13 21 15 17 16 30 32 15 10 9 9 25 19 23 10 0 27 40 18 13 10 20 15 14 12 12 30 26 20 14 13 44 20 10 12 15 30 25 22 18 40 32 22 14 10 11 9 10 9 8 9 10 10 14 11 14 16 13 15 10 9 10 15 17 16 22 24 16 12 9 8 9 11 9 10 10 10 10 11 15 10 18 24 15 33 20 11 10 9 10 14 27 32 19 20 14 53 30 8 10 10 8 9 33 21 21 21 13 11 8 11 11 11 31 14 16 9 8 8 9 8 8 10 9 8 8 8 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 11 11 12 11 8 10 11 12 12 10 12 15 12 21 20 16 21 32 100 58 22 13 13 25 23 23 64 29 70 36 49 18 12 10 12 10 9 9 9 10 9 9 9 10 9 9 9 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8; 1HNMR: 86 86 s 1H | 80 80 s 1H | 75 74 m 5H | 74 73 m 1H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(Br)ccc1C(F)(F)F
ir: 5 4 0 3 5 3 6 3 4 3 3 3 4 2 6 6 19 2 1 3 4 2 1 3 4 1 7 5 4 2 2 4 4 2 2 4 3 1 2 4 3 2 2 4 3 1 2 4 3 1 2 5 3 17 16 28 3 1 3 5 3 1 3 5 2 1 10 5 4 5 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 3 5 4 2 2 4 3 1 2 4 4 1 3 22 100 9 3 4 3 1 3 6 8 3 3 4 3 1 3 5 3 0 16 7 3 1 7 19 15 3 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 7 4 2 3 3 2 4 11 3 13 37 7 3 2 3 4 3 2 8 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 3 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 4 3 1 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 3 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 2 3 6 5 3 17 14 10 4 5 5 3 2 3 4 2 2 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 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 1 2 4 2 1; 1HNMR: 79 79 d 1H J 22 | 78 77 dd 1H J 22 65 | 76 76 dq 1H J 25 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H]1COc2cccc(-c3c(Cl)cccc3Cl)c2O1
ir: 12 10 20 4 6 7 7 3 1 2 6 1 2 1 2 1 1 0 1 0 1 0 1 1 0 1 2 2 2 1 1 1 1 1 3 1 4 12 9 4 0 2 1 0 1 3 37 28 9 7 3 2 2 1 2 2 3 3 2 2 1 0 1 3 3 0 1 2 1 1 1 1 1 2 1 5 4 2 0 1 2 6 2 4 6 8 22 28 18 7 2 3 8 20 2 2 2 2 1 1 0 1 1 1 0 2 1 2 0 1 2 1 1 1 1 0 0 0 1 1 1 1 1 2 2 1 1 0 1 2 7 7 2 1 1 9 10 9 11 8 19 2 3 1 1 0 0 2 3 1 1 0 0 7 4 0 5 8 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 2 2 1 3 3 2 7 8 17 28 31 12 6 5 1 1 6 100 26 2 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 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 m 2H | 75 74 dd 1H J 68 92 | 72 71 dd 1H J 12 78 | 70 70 m 1H | 69 68 dd 1H J 12 80 | 44 43 m 2H | 42 41 m 1H | 39 39 m 1H | 37 36 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C)c(C)c(OC)c(Br)c1C
ir: 4 5 15 5 4 6 4 5 9 4 1 1 2 7 1 1 2 2 1 2 2 1 0 2 1 1 2 3 25 7 0 2 1 0 1 2 1 1 1 2 4 5 16 6 3 0 1 3 5 2 1 2 1 1 1 2 1 0 1 4 1 0 3 6 10 52 7 5 6 3 3 6 6 35 8 5 14 2 5 4 2 2 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 2 2 1 6 2 2 3 41 12 2 2 4 5 16 13 7 19 4 32 11 20 15 4 2 11 4 2 8 6 4 2 5 6 10 19 21 4 3 2 2 2 1 1 7 1 1 1 2 1 0 1 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 5 9 12 3 3 3 1 3 4 4 5 2 6 16 100 49 12 6 4 3 1 2 4 3 1 1 3 2 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 39 39 s 3H | 38 38 s 3H | 22 22 s 3H | 22 21 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@]1(C)CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1
ir: 2 25 10 2 0 2 2 2 1 8 4 3 1 2 1 18 4 2 7 1 0 2 5 2 3 1 6 9 6 36 10 11 85 15 3 4 3 11 3 1 80 1 4 2 2 4 4 3 1 5 3 0 3 3 5 13 12 9 2 1 1 7 2 2 2 3 11 3 13 14 1 2 1 1 1 2 8 2 5 5 79 3 1 4 8 11 2 4 3 13 2 4 7 3 2 7 3 6 21 5 4 5 3 7 3 1 0 1 3 2 7 6 1 1 1 1 3 1 3 5 3 5 9 3 7 3 0 4 5 5 4 15 2 3 6 28 2 1 0 2 2 3 1 33 42 8 23 19 8 15 7 9 14 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 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 2 2 3 1 2 1 1 3 2 1 0 3 5 4 2 16 10 31 75 24 15 5 3 3 3 1 1 2 2 2 0 1 1 0 0 1 1 0 1 2 4 3 21 100 9 1 3 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 73 72 m 8H | 72 72 m 2H | 57 56 s 1H | 36 35 m 2H | 33 33 m 1H | 32 31 ddd 2H J 21 75 125 | 30 30 d 1H J 124 | 29 29 dd 1H J 42 124 | 16 15 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(N)(=O)=O)cc1C(CN)OS(C)(=O)=O
ir: 11 7 13 5 0 5 3 3 2 4 5 3 5 5 3 1 0 2 3 1 3 3 2 1 1 2 2 1 1 1 1 0 1 1 2 1 2 7 2 1 1 2 1 0 1 2 2 0 1 2 2 4 5 3 4 33 13 1 4 0 1 2 1 13 13 2 2 3 4 4 9 9 10 10 9 9 11 7 6 7 5 6 13 19 10 19 20 37 52 5 13 5 3 2 1 1 3 3 2 3 9 9 13 7 2 2 0 1 2 1 1 2 3 2 1 3 10 25 13 20 7 7 3 3 9 4 2 2 3 3 3 7 3 2 4 8 4 7 3 2 1 1 1 3 2 1 1 2 2 4 3 2 1 1 1 1 1 0 1 2 1 2 1 1 1 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 3 2 1 1 1 1 1 1 2 1 1 2 1 3 13 5 4 10 8 4 3 1 0 1 2 1 1 1 2 1 1 7 16 22 9 5 11 14 5 11 100 31 23 23 1 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 m 1H | 77 77 dd 1H J 22 101 | 71 71 d 1H J 101 | 63 63 s 2H | 57 56 m 1H | 37 37 s 3H | 34 33 dtd 1H J 46 68 114 | 32 31 dtd 1H J 46 66 112 | 31 30 s 3H | 18 17 t 2H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(N)CNC(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1
ir: 7 3 3 5 5 4 4 6 8 7 9 4 10 7 7 7 5 4 2 3 3 3 4 6 6 9 8 7 4 5 16 14 4 7 7 9 7 9 20 54 23 100 38 10 7 4 5 13 8 7 5 6 7 1 3 4 2 3 3 10 4 9 8 16 20 5 13 17 30 53 44 32 8 6 9 27 28 20 22 53 15 19 17 21 16 13 6 5 3 3 5 3 2 3 4 4 3 6 7 5 3 3 10 9 4 4 4 7 5 16 7 8 5 7 3 7 6 11 20 14 15 15 4 20 21 27 28 22 19 11 17 31 23 18 28 17 14 4 3 4 3 3 8 15 12 5 43 25 29 8 9 19 75 17 5 1 2 5 2 0 6 3 2 0 2 4 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 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 2 3 3 3 3 6 5 6 5 7 4 11 6 9 12 17 17 21 19 6 6 5 3 1 3 3 2 3 4 5 7 10 21 50 14 11 10 14 15 34 38 8 17 22 10 7 4 3 3 3 1 2 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 73 72 m 2H | 69 67 m 4H | 46 45 d 2H J 63 | 44 44 s 2H | 40 39 tt 1H J 42 63 | 38 37 ddd 2H J 44 71 134 | 37 37 s 2H | 36 35 ddd 1H J 42 66 141 | 35 34 ddd 2H J 43 71 134 | 34 33 ddd 1H J 42 65 141 | 30 30 s 2H | 24 23 ddd 2H J 44 71 123 | 21 21 ddd 2H J 44 71 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(-c2nonc2N)nc2cncc(CCC3CCNCC3)c21
ir: 1 3 10 3 3 3 3 6 15 23 20 17 10 18 7 10 10 9 19 10 11 28 5 11 13 7 4 10 37 21 14 3 9 13 7 2 4 3 4 4 8 2 12 7 3 6 2 3 6 5 8 12 18 4 20 4 2 3 4 5 2 4 2 6 4 6 12 2 3 5 2 2 2 6 6 2 10 4 5 12 4 3 5 1 2 15 2 2 2 2 1 2 3 3 3 1 2 2 1 2 3 8 10 6 12 15 8 4 3 7 9 29 13 7 5 4 5 11 32 11 18 12 6 3 5 5 6 10 8 13 12 5 10 6 11 7 9 2 2 2 2 2 2 2 2 1 2 2 7 4 10 3 29 5 1 5 11 56 89 16 4 7 3 1 2 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 3 3 2 4 6 3 4 3 4 3 3 4 5 6 3 3 4 1 1 2 2 2 1 2 2 1 1 2 2 1 1 4 4 3 54 100 11 3 3 2 2 1 2 2 3 0 0 84 5 6 3 0 1 2 2 1 2 2 2 1 1 2 2 2 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 d 1H J 18 | 82 82 dt 1H J 8 16 | 64 64 s 2H | 44 43 q 2H J 57 | 34 33 p 1H J 39 | 30 29 td 2H J 9 83 | 28 27 dddd 2H J 26 38 53 134 | 27 26 dddd 2H J 26 40 53 134 | 18 17 td 2H J 60 83 | 17 16 m 2H | 16 15 hept 1H J 59 | 15 14 t 3H J 56 | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(Cl)cc2ccccc2c1=O
ir: 0 1 2 2 1 9 8 2 8 2 2 4 6 12 3 1 0 4 11 1 0 1 1 0 0 3 1 2 1 2 2 18 3 8 7 1 1 2 2 2 3 14 27 5 2 3 7 13 6 2 11 42 19 3 4 7 2 3 1 0 3 4 1 1 1 2 1 4 2 5 4 0 2 5 3 4 3 2 1 1 1 3 5 3 2 1 0 1 1 2 1 1 2 2 1 5 9 9 4 8 13 6 49 4 2 2 1 1 2 1 2 4 3 3 1 4 3 2 3 2 3 1 1 3 14 16 4 8 13 8 2 3 2 2 1 5 14 2 3 14 11 3 2 2 2 1 8 9 6 2 17 15 3 2 6 13 73 100 0 2 1 2 40 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 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 1 1 2 1 1 3 2 1 1 2 3 4 8 8 15 35 49 84 59 4 3 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 81 81 dd 1H J 16 84 | 77 76 dd 1H J 14 81 | 75 75 td 1H J 13 80 | 73 73 td 1H J 16 80 | 66 66 s 1H | 41 41 q 2H J 76 | 13 13 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1
ir: 2 1 3 1 3 3 5 12 1 2 5 4 2 3 2 3 5 21 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 1 7 1 1 1 1 1 1 1 1 1 1 1 3 3 3 12 100 23 3 2 1 2 1 2 1 1 3 19 3 1 3 2 7 3 3 1 2 2 3 3 3 2 0 4 2 1 1 6 9 5 5 4 2 4 1 2 3 6 5 5 6 5 1 1 1 1 1 2 1 1 1 6 9 19 20 0 6 10 5 3 2 4 3 2 2 1 12 3 6 3 2 1 1 1 1 1 1 1 1 1 1 1 2 4 21 5 2 3 3 2 35 12 7 6 1 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 3 5 11 8 12 41 8 4 4 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H | 79 79 m 2H | 78 77 m 2H | 77 76 dq 2H J 13 104 | 74 74 s 2H | 44 44 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1
ir: 6 4 6 6 0 2 1 1 1 2 2 3 4 5 10 7 3 5 3 2 2 3 2 4 4 37 9 4 1 1 2 2 6 7 8 16 2 2 1 1 2 1 2 1 3 2 2 1 1 2 3 2 12 20 22 7 7 6 5 2 2 9 3 12 15 12 18 8 14 6 3 1 2 5 8 2 2 1 3 3 2 4 4 7 2 15 38 8 11 5 1 5 2 3 2 2 2 10 1 2 4 2 1 4 2 2 1 4 7 23 8 6 3 9 16 10 8 6 2 3 1 2 2 4 4 4 5 4 4 5 13 5 3 9 8 2 3 2 3 1 2 2 8 74 24 7 3 2 3 3 1 1 1 3 3 31 6 0 4 5 13 23 4 3 8 2 1 1 1 1 0 1 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 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 3 3 3 4 3 2 2 2 3 3 5 4 8 23 16 13 5 2 2 4 5 100 14 2 2 2 1 1 2 5 6 11 74 100 19 8 21 61 17 10 4 2 3 2 2 1 1 1 1 0 0 0 0 0 1 1 0 1 0 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 53 | 78 78 dd 1H J 22 51 | 76 75 dt 1H J 9 18 | 71 71 d 1H J 21 | 67 66 dt 1H J 8 18 | 59 59 d 1H J 73 | 46 46 dt 2H J 9 57 | 36 36 m 4H | 34 34 dp 1H J 51 73 | 33 32 t 1H J 56 | 27 27 m 4H | 19 18 m 3H | 17 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cc(C(=O)O)[nH]c2cc1Cl
ir: 2 1 1 2 1 1 1 1 1 1 1 1 0 7 2 1 1 2 1 1 0 1 2 10 8 0 0 2 1 0 0 1 1 1 1 1 5 1 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 6 4 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 4 3 1 1 1 1 1 1 1 1 1 0 2 3 3 1 1 1 1 0 1 1 1 1 2 3 2 2 1 1 1 1 1 4 1 1 1 1 1 2 3 3 1 1 2 1 0 1 1 1 4 6 1 1 0 1 1 1 5 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 3 2 1 2 3 1 0 1 2 100 66 2 0 1 1 1 1 1 1 1 1 1 1 1 2 2 5 6 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 85 85 d 1H J 21 | 76 76 s 1H | 73 73 d 1H J 22 | 43 42 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN1CC(c2ccccc2)CC1=O
ir: 20 13 17 10 10 6 0 5 9 38 20 6 4 5 5 17 20 10 8 27 12 8 6 8 5 3 4 12 10 3 12 30 19 10 4 3 4 7 5 6 11 62 45 6 5 3 4 5 4 3 3 5 3 2 3 9 19 11 8 11 5 9 8 14 7 6 9 30 14 8 6 7 2 2 4 5 7 3 7 6 2 2 3 4 3 3 5 11 27 8 4 4 4 4 6 5 5 7 7 7 9 10 13 7 2 3 6 5 2 3 7 5 3 22 19 7 8 14 16 19 66 29 24 11 4 9 6 5 2 10 6 5 5 9 13 11 17 4 4 3 4 8 25 50 100 65 27 10 26 39 10 19 11 11 3 3 3 3 3 3 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 2 2 4 3 7 5 13 10 5 5 8 8 4 6 14 43 30 40 51 30 16 5 3 3 3 4 4 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 73 72 m 6H | 42 41 m 2H | 40 39 dd 1H J 39 120 | 37 37 m 3H | 34 33 ddt 1H J 40 47 55 | 26 25 dd 1H J 54 153 | 24 23 dd 1H J 55 152
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1C(=O)NN=C2COc3cc(C(F)(F)F)c(NC4(C)CN(C(=O)OC(C)(C)C)C4)cc3N21
ir: 4 7 9 3 5 3 1 3 2 8 9 8 4 4 5 7 17 20 43 17 29 25 18 6 4 11 6 4 4 8 3 7 5 64 18 7 7 4 7 16 5 4 2 5 3 7 6 3 2 1 1 2 1 3 5 5 2 1 4 3 3 2 6 3 5 7 20 16 32 5 7 7 3 3 5 3 5 2 1 1 1 3 3 1 2 2 2 2 19 25 5 2 4 2 2 2 4 5 64 4 4 3 15 6 5 9 2 2 1 6 7 6 12 9 22 11 13 19 15 15 16 15 9 4 1 3 7 12 7 10 26 16 9 18 4 4 13 16 16 9 8 2 2 2 2 1 3 7 12 34 11 24 14 24 62 13 13 4 10 43 3 2 1 0 2 4 12 36 7 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 4 2 3 2 1 2 6 3 1 4 4 7 14 32 9 11 25 12 23 10 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 3 6 4 10 42 100 79 55 7 6 3 3 3 4 2 1 1 1 2 1 1 1 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 70 70 m 2H | 69 68 s 1H | 50 49 m 4H | 41 41 d 2H J 115 | 39 38 d 2H J 114 | 15 14 s 8H | 14 14 d 4H J 73 | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc(C(=O)N2CCCC2C(=O)OC)cc1N
ir: 5 5 13 31 23 11 3 5 5 12 17 28 17 27 18 15 6 6 4 8 3 4 2 3 2 1 3 2 5 3 3 3 3 0 3 11 19 19 10 17 5 2 3 2 4 1 1 1 2 2 2 3 3 2 12 9 6 1 1 1 2 2 2 3 2 2 2 3 4 2 7 4 6 3 2 4 18 4 2 1 1 1 1 1 1 2 1 1 1 3 2 4 3 3 2 2 2 1 3 1 0 1 0 2 2 12 11 5 3 3 7 9 5 2 4 3 2 1 2 7 13 8 5 10 9 11 2 2 1 12 4 3 8 6 25 11 2 2 1 0 1 1 2 7 7 4 4 4 6 21 30 11 6 7 4 1 3 66 16 1 2 1 1 2 2 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 0 1 0 2 1 1 2 1 2 1 1 1 1 2 3 1 2 11 4 5 11 9 3 1 2 2 1 1 1 1 1 1 2 1 1 3 4 4 7 100 2 8 2 19 14 20 65 25 5 7 37 43 4 2 1 1 1 0 1 1 1 1 0 1 1 0 0 0 0 0 0 1 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; 1HNMR: 76 75 dd 1H J 20 86 | 72 71 m 2H | 63 62 q 1H J 51 | 45 45 t 1H J 51 | 42 41 s 2H | 38 37 ddd 1H J 32 50 122 | 37 37 s 2H | 36 36 ddd 1H J 32 49 121 | 30 29 d 3H J 51 | 22 21 ddt 1H J 52 66 121 | 20 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(CC(C)C)OC(c1ccc(Br)cc1)c1nccs1
ir: 2 2 2 1 1 1 2 3 3 3 5 2 2 1 1 1 1 0 0 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 3 7 4 3 2 1 2 1 3 2 1 2 2 1 1 2 3 4 8 3 6 4 3 4 3 2 0 3 14 1 1 2 3 2 6 7 1 2 2 12 10 3 1 8 9 4 1 2 5 6 2 3 3 1 1 3 11 8 5 10 16 2 2 2 2 3 2 1 1 1 1 2 14 6 12 8 3 3 3 5 2 3 7 17 11 8 8 15 4 1 5 5 5 10 3 3 5 6 1 1 1 0 1 1 0 0 1 1 1 4 6 100 10 3 0 0 2 4 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 1 0 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 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 2 16 2 1 1 1 3 3 2 4 3 5 5 6 11 27 31 12 89 10 24 4 6 3 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 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: 79 78 d 1H J 48 | 75 75 m 2H | 73 73 m 2H | 73 72 d 1H J 48 | 62 62 d 1H J 9 | 43 42 m 1H | 37 37 s 2H | 19 18 m 2H | 16 16 m 1H | 10 9 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNc1ccc(C#N)cc1N
ir: 13 19 31 88 10 8 17 4 17 17 15 52 22 23 40 31 25 29 14 16 11 10 12 9 7 8 7 6 3 6 6 3 15 15 8 9 6 15 14 8 2 11 7 3 3 9 4 5 3 6 6 2 4 6 4 16 5 8 4 5 6 6 4 0 3 6 3 6 23 6 4 5 5 5 9 4 14 36 5 2 5 4 2 1 4 4 3 3 5 4 3 4 7 9 2 2 4 4 1 2 5 22 2 3 5 3 1 10 7 5 7 12 7 9 8 6 9 8 15 68 14 35 0 6 10 8 3 6 5 15 5 4 5 4 11 14 27 9 3 5 5 2 2 4 4 5 5 14 29 19 38 57 7 4 4 6 12 55 62 16 8 3 9 5 3 1 2 5 2 0 3 5 3 0 3 5 2 1 3 4 3 1 4 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 3 1 2 4 4 2 2 4 4 2 3 5 5 2 3 4 5 5 3 6 5 4 10 12 7 60 24 7 6 2 4 5 4 2 4 7 3 2 5 8 3 3 7 8 53 4 10 7 7 14 85 36 24 13 15 100 64 9 5 6 3 4 4 3 2 2 3 3 1 2 4 3 2 2 4 3 1 2 3 2 1 2 4 3 1 3 4 3 2 3 3 2 1 3 3 2 2 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 72 72 dd 1H J 22 82 | 71 71 d 1H J 22 | 68 68 d 1H J 81 | 58 57 t 1H J 50 | 42 42 s 2H | 33 33 q 2H J 53 | 17 16 qt 2H J 53 71 | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(N2CCOCC2)nc(NCCc2nccs2)n1
ir: 12 15 18 15 15 15 14 12 11 11 12 11 11 13 12 14 15 20 11 17 17 20 23 13 15 12 13 12 12 14 14 13 13 13 13 18 21 19 15 14 19 14 13 15 11 11 11 12 13 34 31 19 18 15 11 12 20 14 11 10 11 10 10 11 11 11 10 11 10 10 11 15 16 16 17 18 12 11 10 11 17 15 11 13 20 14 11 22 20 12 16 22 12 18 12 16 15 12 14 12 11 10 14 17 30 25 27 16 13 14 12 16 0 73 30 18 15 12 13 28 36 29 20 25 20 23 18 12 15 17 15 13 12 11 13 11 10 12 11 10 10 10 10 10 12 13 15 17 11 12 9 10 10 10 9 9 9 10 10 9 20 13 11 68 13 8 10 11 9 9 10 15 19 18 11 12 10 9 10 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 10 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 10 9 11 10 10 9 10 10 10 9 11 12 11 12 14 15 25 24 28 20 15 11 13 15 18 49 100 36 32 27 31 25 19 22 12 10 10 10 10 10 9 9 10 9 10 10 11 11 12 12 12 18 19 28 28 28 23 20 13 11 10 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9; 1HNMR: 77 76 d 1H J 46 | 71 71 d 1H J 46 | 59 59 s 1H | 57 56 t 1H J 51 | 39 38 td 2H J 52 66 | 38 38 dd 4H J 48 56 | 36 35 dd 4H J 47 56 | 31 30 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCN1Cc1cccc(F)c1F
ir: 4 4 1 1 1 1 2 1 2 1 8 1 1 1 1 3 3 3 6 2 4 2 4 1 1 1 1 2 5 3 1 1 1 1 2 2 4 1 5 2 2 2 2 3 2 1 3 7 21 3 1 1 1 1 2 9 2 3 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 3 3 6 2 2 1 1 3 1 1 2 10 4 2 1 2 2 4 2 2 4 8 1 1 1 1 1 2 2 1 1 1 1 3 2 2 2 10 9 2 3 2 2 1 4 1 1 1 2 3 5 1 1 4 3 2 1 2 11 0 1 1 1 1 1 2 0 6 100 2 1 1 1 1 1 9 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 1 1 1 1 1 1 7 9 3 6 11 8 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 ddd 1H J 13 37 90 | 72 71 td 1H J 51 90 | 71 70 dddd 1H J 13 37 90 102 | 47 46 dd 2H J 8 38 | 35 35 dd 2H J 36 47 | 23 23 t 2H J 57 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCON=C(CC)C1=C(O)CC(c2c(OC)cc(OC)cc2OC)CC1=O
ir: 1 3 6 8 7 5 5 9 7 5 6 3 1 15 8 15 29 17 13 6 10 19 20 15 16 9 4 4 4 5 6 2 4 6 3 1 1 2 2 2 6 17 13 12 3 8 8 1 2 2 3 4 6 5 11 7 4 15 7 17 4 5 8 9 22 15 37 57 13 17 8 17 8 6 4 6 6 2 3 3 2 3 3 2 3 28 5 5 3 3 12 100 39 8 10 9 6 4 3 3 6 4 10 5 16 9 15 5 4 3 4 3 12 5 5 4 8 6 3 4 7 8 6 4 3 5 4 6 5 4 10 18 6 6 3 16 25 2 1 6 4 2 1 4 4 1 23 85 6 4 3 2 2 2 1 1 6 39 7 3 1 4 32 15 2 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 2 3 4 3 9 11 4 8 4 6 8 18 19 15 11 22 7 6 6 4 30 86 48 3 2 2 2 1 1 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 62 62 s 2H | 42 41 q 2H J 64 | 39 38 d 10H J 115 | 32 32 dd 1H J 75 156 | 30 29 dd 1H J 75 156 | 29 28 q 2H J 77 | 28 27 dd 1H J 77 154 | 26 25 dd 1H J 77 154 | 13 13 t 3H J 64 | 13 12 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccc3[nH]nnc3c2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
ir: 13 4 0 4 8 6 1 4 9 5 1 5 9 6 6 5 8 8 0 13 42 15 6 8 10 26 60 15 14 7 3 9 7 3 3 11 11 1 2 12 31 77 100 1 6 6 11 12 6 3 4 6 4 12 14 34 5 5 4 5 5 5 8 14 5 4 22 34 5 2 5 7 4 2 4 6 4 2 4 6 17 3 11 10 3 7 8 11 8 5 5 9 14 13 6 4 6 3 6 6 6 8 24 7 3 25 14 4 3 10 6 18 1 6 6 4 2 5 6 4 2 7 11 5 5 14 29 16 10 12 8 8 15 10 7 3 31 7 5 2 15 12 18 11 21 25 11 4 17 58 5 7 13 31 8 4 17 15 8 5 6 22 5 2 4 11 4 2 3 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 5 5 3 2 4 5 3 2 4 5 3 2 4 5 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 3 3 5 6 5 5 9 9 8 12 51 46 29 19 22 11 6 6 5 4 3 4 5 4 2 5 5 3 3 5 6 4 4 6 8 7 40 63 17 6 5 5 6 3 4 5 5 3 4 5 4 2 3 5 4 2 4 5 4 2 3 5 4 2 3 5 3 2 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2; 1HNMR: 77 77 m 2H | 76 75 d 1H J 84 | 72 71 dd 1H J 40 75 | 70 69 m 4H | 68 68 d 1H J 40 | 38 38 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(C(=O)c1ccc(OC(F)(F)C(F)F)cc1)c1ccc(Cl)c(Cl)c1
ir: 8 23 8 8 7 3 7 4 3 5 2 6 2 2 4 2 4 13 3 7 9 3 4 5 9 8 26 29 26 100 68 41 24 23 20 11 23 26 7 6 3 6 7 8 10 21 15 7 8 17 6 2 8 9 21 18 34 16 5 1 4 4 3 1 5 16 44 8 6 13 5 4 6 17 21 11 4 4 1 1 5 4 3 1 1 2 1 1 6 3 7 9 23 8 5 2 8 11 14 22 6 2 0 2 2 2 1 2 6 4 3 2 3 4 11 6 10 6 24 12 18 11 11 8 2 13 21 16 13 17 14 11 8 2 2 2 3 17 3 4 35 49 10 34 87 57 14 18 36 63 27 12 9 15 9 7 1 1 2 2 2 1 3 9 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 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 1 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 1 1 2 2 2 2 2 1 1 2 4 3 5 4 7 7 21 32 15 48 89 91 35 5 3 5 5 3 1 3 3 2 4 2 2 2 1 1 2 1 1 4 5 4 11 98 30 4 8 3 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 0 1; 1HNMR: 79 79 m 2H | 76 76 m 1H | 76 75 d 1H J 81 | 73 73 m 1H | 72 72 m 2H | 65 64 d 1H J 79 | 64 63 dt 1H J 9 80 | 60 59 t 1H J 70 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(Sc2ccc(F)cc2Br)c1
ir: 0 0 0 1 3 1 1 0 0 0 1 1 0 0 1 1 0 1 0 1 1 1 0 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 19 5 2 1 0 1 4 25 17 1 1 0 0 0 1 2 2 1 2 3 9 4 3 1 1 1 0 0 1 1 0 1 1 1 0 1 4 1 0 2 2 1 2 1 0 1 0 0 0 0 0 1 1 0 0 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 1 1 2 1 1 1 0 0 0 0 1 0 0 5 1 1 3 4 1 0 0 0 0 1 9 28 0 1 12 3 2 12 1 1 1 1 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 3 5 35 100 15 4 4 1 1 1 2 1 1 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 71 70 ddd 1H J 22 79 100 | 69 68 m 2H | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(-c2ccc(C(=O)C(F)(F)F)o2)c1
ir: 4 1 2 1 2 2 4 6 13 7 3 7 1 2 9 3 24 8 4 6 19 100 49 18 6 3 2 2 3 7 5 16 3 2 1 1 1 1 2 9 22 2 2 1 9 1 3 4 28 2 1 2 1 1 1 2 2 4 8 14 12 11 2 1 6 1 2 2 5 2 1 2 2 3 3 31 10 5 48 8 6 5 6 5 5 6 6 18 7 4 1 1 2 5 2 2 1 2 13 28 62 4 3 1 0 1 1 1 1 1 1 1 4 7 3 3 7 18 9 2 2 2 1 1 3 4 4 2 3 2 1 1 1 1 1 1 1 2 2 39 13 2 2 6 15 25 62 8 0 2 2 14 2 3 2 0 3 3 3 1 1 2 1 0 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 2 3 1 2 2 6 22 30 22 21 28 6 2 2 2 0 16 45 21 4 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 2 0 1 1 0 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: 84 84 t 1H J 22 | 80 80 ddd 1H J 11 22 81 | 79 78 ddd 1H J 11 22 93 | 76 76 d 1H J 48 | 76 75 dd 1H J 80 93 | 70 70 d 1H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cc(CNC(=O)OC(C)(C)C)cc(F)c1NS(C)(=O)=O
ir: 4 6 7 5 3 1 1 1 0 2 2 1 0 1 3 2 1 1 1 1 1 1 1 1 2 1 4 4 6 4 2 3 2 2 1 1 2 3 4 3 3 5 3 6 3 2 4 2 10 2 4 3 1 8 3 0 1 1 2 0 1 2 1 0 1 2 1 6 3 12 8 7 7 4 1 1 0 1 1 0 1 1 0 0 1 2 5 10 13 2 2 1 0 1 2 1 4 17 4 3 1 4 16 4 2 1 0 2 3 3 3 1 2 2 3 9 31 8 2 5 3 9 4 3 2 1 2 2 1 2 1 1 1 1 1 3 3 2 3 1 6 21 2 7 55 100 20 5 15 15 10 1 1 2 3 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 1 1 3 1 4 17 6 9 9 6 6 2 1 1 2 1 1 0 1 2 2 1 1 1 1 0 1 1 1 1 2 5 5 3 13 15 16 10 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 48 | 72 72 dt 1H J 9 26 | 71 70 ddt 1H J 9 19 121 | 70 69 dd 1H J 108 161 | 60 60 t 1H J 56 | 57 56 dd 1H J 24 163 | 55 55 dd 1H J 24 108 | 44 44 dt 2H J 8 56 | 31 30 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cl)C(=O)Nc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)ccc1C(F)(F)F
ir: 3 3 1 5 5 5 2 2 3 9 7 7 6 6 5 6 4 2 2 3 1 2 4 6 12 7 9 6 7 11 10 12 8 5 6 8 9 13 18 23 33 38 61 20 14 16 7 6 5 8 3 2 3 16 38 36 35 14 4 6 2 3 1 2 2 2 5 4 14 19 69 5 13 4 1 1 3 6 3 7 2 2 1 1 1 1 2 3 2 3 2 3 9 8 4 6 2 4 23 15 5 32 10 19 30 4 2 4 9 54 5 7 3 8 9 5 7 8 6 4 6 2 3 4 6 6 8 12 4 3 2 1 1 3 4 14 8 8 17 16 6 15 60 100 22 16 40 40 25 83 42 48 27 76 19 7 13 4 5 13 3 0 2 3 13 5 4 3 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 3 2 2 2 6 6 3 8 4 15 16 44 97 35 30 8 4 6 4 3 2 3 2 3 4 2 3 3 4 2 7 7 6 14 13 48 54 84 15 7 9 5 3 1 1 2 2 2 1 2 1 1 1 2 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 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; 1HNMR: 93 93 s 1H | 86 85 s 1H | 84 83 d 1H J 21 | 79 78 dq 1H J 25 113 | 78 77 dd 1H J 21 112 | 77 76 m 2H | 76 76 m 4H | 75 74 m 2H | 74 73 m 1H | 46 46 q 1H J 59 | 17 16 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(C(=O)N2CCC(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1
ir: 7 4 5 5 2 2 1 2 1 2 2 4 3 4 5 3 5 5 13 2 2 10 5 4 5 4 4 9 9 2 4 3 3 5 6 3 3 1 3 1 3 2 2 2 2 2 2 1 2 4 9 25 4 6 2 3 2 2 2 1 1 2 2 1 1 4 4 5 2 1 2 3 2 15 2 3 2 2 2 3 9 3 2 2 1 1 2 2 3 1 1 2 2 6 3 1 2 2 2 1 1 2 2 2 1 2 2 2 3 2 2 2 1 2 2 3 5 2 1 2 3 3 2 7 3 2 2 2 2 1 1 2 2 2 1 2 1 2 4 10 1 1 1 2 2 3 2 8 3 2 2 6 25 6 14 11 8 17 3 7 14 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 4 2 5 3 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 2 9 1 1 1 1 2 5 11 8 1 1 6 18 100 8 1 0 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 d 1H J 12 | 85 85 dd 1H J 13 77 | 84 83 dd 1H J 15 46 | 83 83 d 1H J 13 | 83 82 d 1H J 13 | 76 75 s 2H | 71 71 dd 1H J 7 46 | 37 36 ddd 2H J 57 84 121 | 36 35 ddd 2H J 57 83 123 | 31 30 pd 1H J 7 55 | 28 28 ddd 2H J 62 90 121 | 26 26 ddd 3H J 62 91 121 | 23 23 s 2H | 22 21 ddt 2H J 56 84 128 | 21 20 ddt 2H J 61 89 122 | 20 19 ddt 2H J 56 84 126 | 18 17 ddt 2H J 63 90 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCC2)C1c1cccc2c(=O)cc(C)oc12
ir: 1 18 40 16 43 20 9 5 8 8 6 3 4 3 4 5 1 4 7 7 3 3 7 4 12 6 4 4 4 3 8 5 4 5 7 1 2 3 4 4 5 100 9 3 7 17 10 2 3 11 4 2 3 5 3 0 4 5 2 3 5 6 4 26 8 13 5 8 8 22 21 4 12 13 6 4 5 3 2 2 3 5 5 3 5 4 2 3 6 6 1 2 3 3 3 4 3 3 3 2 3 8 17 13 1 75 18 11 9 4 1 5 9 4 6 8 9 10 9 8 8 6 5 6 8 9 35 6 14 4 2 5 11 10 24 7 5 3 3 9 33 9 4 3 7 4 4 3 4 4 4 8 21 81 38 12 22 3 58 7 3 14 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 1 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 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 3 4 9 5 2 4 3 2 3 5 8 4 8 8 6 15 18 28 14 20 43 40 6 2 3 4 4 1 3 4 2 0 3 4 3 4 5 8 2 2 7 10 3 55 96 13 6 4 3 3 3 2 3 2 2 2 3 2 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 81 80 s 1H | 80 80 dd 1H J 11 81 | 75 75 dt 1H J 9 83 | 72 72 t 1H J 81 | 61 60 q 1H J 14 | 50 49 m 2H | 24 24 d 3H J 13 | 23 23 s 2H | 23 22 d 3H J 11 | 22 22 d 3H J 10 | 20 19 m 2H | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cccc(CCOc2ccc3c(c2)Oc2ccccc2C(CC(=O)O)C3)n1
ir: 6 4 9 4 5 6 9 10 9 22 7 10 5 13 24 23 28 4 7 14 13 43 56 22 31 11 9 3 5 1 2 8 4 13 5 4 3 2 1 2 2 1 22 14 3 5 23 23 14 6 3 3 3 5 6 13 8 3 2 1 1 1 1 3 4 5 20 6 4 8 7 4 4 2 3 7 10 9 100 19 17 4 5 6 2 2 3 4 2 4 3 12 2 3 3 3 3 3 2 6 4 3 1 1 4 1 2 2 10 5 9 3 1 2 4 1 0 2 5 5 1 9 8 8 16 3 4 7 2 3 3 3 4 5 7 4 3 17 5 8 24 39 43 48 14 23 35 36 9 3 4 7 4 10 4 8 25 46 6 7 3 3 8 2 1 0 0 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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 1 0 0 0 1 1 0 1 1 1 1 1 1 1 3 2 4 5 1 4 2 2 3 4 7 6 25 95 38 11 3 2 2 4 3 3 75 65 20 6 1 1 2 1 1 1 2 3 4 4 7 10 37 54 16 46 9 4 2 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; 1HNMR: 73 72 m 3H | 72 71 m 1H | 71 71 dt 1H J 9 90 | 70 69 m 2H | 67 66 dd 1H J 24 90 | 65 65 dd 1H J 12 78 | 65 64 d 1H J 24 | 57 56 q 1H J 47 | 44 44 t 2H J 58 | 37 36 m 1H | 32 31 m 3H | 30 29 m 1H | 29 29 m 4H | 27 27 dd 1H J 88 165
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc2c(c1)NC(CN1CCOCC1)CO2
ir: 7 8 14 13 25 45 0 25 10 10 7 11 5 10 8 23 25 14 8 4 4 4 4 6 4 4 3 5 11 11 22 3 2 4 3 3 3 3 3 3 2 5 30 16 4 4 6 7 3 4 6 21 5 4 4 7 8 7 4 2 3 3 4 5 6 14 6 3 3 4 9 4 12 15 6 4 3 4 3 2 5 16 4 5 23 5 4 3 3 3 3 3 5 3 3 7 10 7 9 14 10 11 16 9 6 5 3 3 4 3 3 4 4 19 32 6 5 4 3 3 3 3 3 4 7 4 3 3 3 4 4 4 17 21 22 6 9 6 3 4 3 7 16 7 53 3 3 4 4 3 24 5 4 3 4 4 3 3 3 3 5 4 3 3 3 3 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 2 3 3 2 3 4 3 3 3 3 3 2 3 3 3 3 3 4 4 4 4 4 4 3 3 4 5 3 15 9 9 75 11 4 4 4 3 3 3 3 3 3 3 3 4 5 4 3 3 3 4 3 6 9 17 46 100 76 9 6 4 3 4 4 4 5 4 3 3 3 2 3 3 3 3 3 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 70 70 m 1H | 69 68 dt 2H J 13 82 | 68 68 td 1H J 13 79 | 51 50 d 1H J 84 | 44 43 dd 1H J 42 114 | 41 41 dd 1H J 42 115 | 38 37 dp 1H J 43 86 | 37 36 m 4H | 29 28 dd 1H J 44 119 | 28 27 m 2H | 27 26 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNCc1ccc(O)cc1
ir: 1 1 1 1 0 1 1 1 1 2 3 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 3 5 1 1 2 4 5 8 8 12 21 3 2 3 3 2 2 5 7 13 6 4 2 3 2 2 2 1 4 3 1 0 0 1 5 1 1 4 6 1 1 5 5 3 17 19 5 6 1 1 1 1 2 86 16 1 1 0 0 1 1 1 2 2 1 1 0 0 0 0 1 1 2 12 13 4 1 0 1 1 2 2 1 1 1 5 1 0 1 1 2 1 2 1 1 1 1 2 11 5 3 0 1 0 1 0 0 0 0 1 0 1 13 4 1 1 1 1 1 1 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 4 3 1 1 1 1 0 1 1 0 1 1 0 0 1 2 3 2 13 16 5 1 2 1 1 0 15 51 100 7 1 1 2 1 0 1 1 2 7 20 8 2 1 1 1 0 0 0 0 0 0 0 1 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 s 1H | 72 71 dp 2H J 9 80 | 68 67 m 2H | 39 39 dt 2H J 9 58 | 30 29 tt 1H J 42 60 | 29 28 qd 2H J 42 59 | 12 12 t 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1cc(Cc2ccc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cccc3c2)ncn1
ir: 5 4 3 4 3 3 3 3 4 4 7 3 3 3 6 3 2 3 3 3 3 3 3 3 3 3 4 3 5 4 3 3 5 4 10 8 7 4 6 5 4 8 4 4 10 3 4 3 4 8 5 2 4 3 8 6 3 4 7 2 3 4 3 3 7 13 4 5 11 3 3 5 3 3 3 3 3 2 3 2 3 5 2 2 3 3 4 4 3 3 4 5 4 4 8 4 4 5 5 6 12 3 10 4 4 3 3 6 22 3 3 3 3 3 2 3 3 3 3 3 4 4 5 6 5 6 5 4 5 4 3 7 4 3 3 5 2 3 14 12 18 9 4 18 24 10 4 3 3 8 8 16 3 11 5 3 3 6 6 0 100 3 2 6 4 1 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 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 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 4 4 4 7 8 67 24 8 4 6 3 3 3 3 3 3 2 3 3 2 3 5 3 3 3 4 7 5 26 29 25 8 4 3 3 2 2 3 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 85 s 1H | 85 85 d 1H J 15 | 82 82 d 1H J 86 | 80 79 m 1H | 79 78 m 2H | 78 78 m 1H | 78 77 t 1H J 78 | 74 74 ddd 1H J 22 37 71 | 74 73 ddt 1H J 9 20 83 | 73 72 dd 1H J 72 101 | 62 61 dt 1H J 8 16 | 57 57 q 1H J 47 | 42 42 q 2H J 9 | 29 29 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCC1CN(c2ccc(C3CCC4OC(C)(C)OC4C3)c(F)c2)C(=O)O1
ir: 5 1 6 4 6 12 0 15 13 7 11 11 5 4 3 2 3 3 6 7 6 5 4 5 4 6 10 8 29 29 10 11 19 26 16 3 9 4 6 4 2 2 2 1 1 1 1 3 2 2 2 6 3 3 6 10 4 4 2 2 1 1 3 4 8 10 21 19 8 7 5 10 4 6 9 2 3 1 2 2 3 3 14 11 2 1 2 1 1 2 3 2 2 2 2 2 2 15 8 3 10 14 10 6 4 4 13 13 9 12 2 5 4 5 4 3 4 10 16 5 11 6 6 11 13 7 8 14 11 10 5 5 1 2 2 3 1 2 2 1 3 9 14 34 48 100 41 24 16 13 30 61 5 9 17 4 3 2 1 1 1 2 3 11 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 2 3 1 2 2 3 5 4 3 4 6 3 2 8 13 21 6 12 15 17 8 5 1 4 2 1 2 1 0 1 1 1 1 1 2 1 1 4 7 18 18 21 6 15 16 12 5 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 dd 1H J 21 121 | 73 72 m 3H | 47 47 ddd 1H J 26 33 60 | 43 42 m 2H | 41 41 dt 1H J 32 44 | 40 39 dd 1H J 26 128 | 36 35 ddd 1H J 33 70 134 | 34 33 ddd 1H J 33 68 134 | 32 31 m 1H | 24 23 ddd 1H J 42 61 137 | 22 21 ddt 1H J 57 82 132 | 21 20 ddd 1H J 42 62 139 | 20 20 s 2H | 20 19 dddd 1H J 32 56 86 137 | 18 17 ddt 1H J 58 84 132 | 17 16 m 1H | 14 14 s 2H | 13 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C(O)C(C=C1CCCCC1)n1cncn1
ir: 1 1 1 1 1 2 2 4 7 7 1 2 2 2 0 1 1 1 3 2 4 3 3 2 4 3 1 3 2 1 2 3 2 2 2 3 4 14 13 13 19 7 2 18 3 1 2 2 2 2 1 3 3 2 4 4 4 3 7 16 7 6 19 6 5 6 12 6 10 6 16 8 3 2 1 6 2 1 1 2 3 3 1 2 11 15 25 22 7 5 3 6 7 8 6 12 54 7 14 23 6 7 3 3 2 2 8 10 11 18 22 22 25 12 19 17 13 8 12 6 6 17 17 10 5 4 4 5 4 2 5 20 25 3 4 3 2 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 2 11 5 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 2 1 2 3 3 3 8 4 4 5 11 9 4 7 12 12 4 19 50 100 21 33 12 11 26 18 3 3 2 2 9 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 86 m 1H | 80 79 d 1H J 16 | 56 55 ddq 1H J 8 18 84 | 44 43 ddp 1H J 9 50 79 | 38 37 dddp 1H J 15 31 61 75 | 37 36 d 1H J 72 | 24 22 m 4H | 16 15 m 4H | 15 15 m 2H | 10 10 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc(Nc3cc(F)c(F)c(F)c3)c3n[nH]cc3c2c1
ir: 1 2 4 2 0 3 5 2 0 3 4 3 2 7 6 6 5 5 10 100 94 19 19 26 22 25 24 8 3 5 4 3 2 4 4 2 4 10 19 8 2 4 3 1 3 6 7 0 6 16 4 0 6 6 3 3 21 14 5 1 3 6 2 2 3 5 7 11 18 10 3 4 3 4 2 2 3 5 2 1 3 3 2 1 3 3 1 1 4 4 2 3 5 8 2 1 4 3 1 6 40 5 1 1 4 2 1 3 4 7 3 3 21 6 3 5 5 2 0 2 4 2 1 2 6 12 20 8 7 2 1 2 3 1 1 3 5 1 1 8 4 1 10 8 3 1 1 3 4 17 3 35 19 1 4 16 15 8 4 6 3 1 5 34 28 3 3 5 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 0 2 3 2 1 2 4 3 1 2 7 7 41 31 9 25 6 3 3 3 2 2 3 2 2 3 3 2 2 2 3 3 3 3 11 16 90 88 87 15 1 4 4 1 2 4 3 1 1 3 3 0 1 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 87 87 s 1H | 83 82 d 1H J 36 | 80 80 d 1H J 83 | 74 74 d 1H J 28 | 71 70 dd 1H J 27 84 | 68 67 m 2H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)c4ccc(Cl)cc4)cc23)CC1
ir: 76 16 13 9 8 34 12 21 4 9 6 16 14 15 13 5 23 7 5 17 8 3 36 19 1 7 40 6 2 3 4 3 6 4 32 5 4 6 4 1 1 4 7 2 20 6 12 4 3 4 2 2 5 3 45 36 6 7 3 2 5 3 3 8 13 37 24 18 12 16 6 1 4 6 5 5 4 4 17 100 22 11 7 32 44 4 1 21 21 16 5 7 68 11 8 5 9 7 13 7 5 4 4 5 25 14 3 6 5 11 5 5 5 5 0 3 4 4 2 5 10 8 13 42 7 5 3 3 4 2 1 3 9 4 2 3 5 3 1 3 5 38 4 8 6 10 8 4 23 3 2 3 14 29 71 7 4 1 2 5 5 1 2 5 3 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 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 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 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 3 3 4 4 3 1 4 5 3 2 19 7 46 39 38 15 22 12 11 6 3 4 4 4 2 1 2 3 2 2 3 3 3 2 5 3 2 3 10 43 7 2 3 3 2 2 3 3 1 2 3 2 3 7 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 88 88 d 1H J 73 | 79 78 m 2H | 77 77 m 2H | 74 73 m 3H | 72 71 dd 1H J 27 73 | 30 29 m 3H | 26 26 ddd 2H J 58 86 119 | 24 23 s 2H | 22 21 ddt 2H J 56 84 123 | 20 19 ddt 2H J 57 86 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(C)(O)C(CCCCOc1ccccc1)n1cncn1
ir: 3 3 2 4 5 4 6 5 3 3 3 7 10 5 3 3 5 4 3 6 8 3 3 3 2 2 4 2 4 7 11 8 56 83 8 5 7 13 17 5 48 31 30 12 25 8 10 8 4 1 2 5 5 2 6 10 10 2 3 4 3 0 7 16 10 14 17 15 10 52 22 6 5 4 9 26 19 8 8 5 11 4 3 4 2 3 8 4 2 4 3 7 6 22 4 8 8 9 22 16 22 16 8 9 5 5 12 8 8 19 44 22 15 7 5 8 12 8 15 17 12 17 18 22 13 9 9 12 2 6 9 25 9 6 17 24 11 5 5 5 6 6 19 40 7 5 5 3 2 3 5 4 6 5 4 3 2 3 3 7 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 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 3 2 2 2 2 2 2 2 2 2 2 2 3 2 4 5 11 11 7 9 16 14 10 4 5 10 13 13 15 90 74 47 33 100 31 15 46 7 9 6 3 31 4 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 82 82 m 1H | 79 78 d 1H J 16 | 73 72 m 2H | 70 70 tt 1H J 14 75 | 69 68 m 2H | 43 42 m 1H | 40 39 t 2H J 59 | 37 36 s 1H | 19 17 m 4H | 17 15 m 2H | 15 14 dtt 1H J 63 79 128 | 13 12 t 3H J 15 | 10 9 d 3H J 69 | 9 9 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc(-n2nc(C#N)c(=O)[nH]c2=O)c1
ir: 0 1 1 1 1 2 4 4 0 3 2 1 0 6 2 6 4 4 3 5 3 1 3 1 2 2 2 3 4 5 5 9 13 23 11 4 2 10 2 1 4 5 4 4 2 4 59 22 9 1 3 2 3 4 25 42 18 6 3 1 1 2 1 1 1 2 5 17 6 6 13 10 4 3 1 2 2 1 1 1 1 1 2 1 2 5 3 1 1 2 1 2 24 3 1 1 1 1 2 1 2 10 16 6 8 5 3 1 2 1 0 1 1 1 1 1 5 6 1 1 3 1 2 1 2 2 5 14 4 1 1 1 2 1 0 1 3 4 29 31 6 2 3 6 20 46 58 15 1 3 2 2 13 12 4 6 6 80 5 4 1 1 20 100 26 6 2 1 1 1 0 1 0 1 0 0 0 0 1 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 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 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 3 0 0 2 1 0 1 1 2 1 1 2 2 7 5 8 13 30 26 8 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 2 2 4 10 21 32 37 9 6 3 1 1 1 1 1 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 99 99 s 1H | 93 93 s 1H | 78 78 m 1H | 78 77 dt 1H J 22 59 | 75 74 m 2H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=N\N1CC(=O)NC1=O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1
ir: 8 6 8 5 3 5 3 2 4 3 3 4 4 6 16 5 3 5 5 6 11 3 5 4 5 5 3 5 7 3 2 7 9 2 2 3 7 5 4 10 28 14 23 36 50 30 85 21 15 32 32 21 4 4 3 5 56 19 5 7 23 10 9 6 4 6 7 6 5 6 11 3 2 3 2 2 2 6 3 2 2 3 4 2 2 4 6 10 5 3 5 8 4 5 11 6 19 12 23 5 3 13 13 3 5 5 5 2 2 4 3 2 4 25 6 16 16 8 7 4 5 14 10 14 33 9 8 20 8 3 6 6 5 6 8 4 3 7 6 3 6 5 3 2 2 6 6 33 7 18 19 21 13 7 5 1 30 17 5 2 14 91 100 19 5 0 2 5 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 4 3 3 3 3 3 4 4 11 25 22 21 43 54 41 11 9 3 7 3 2 2 3 2 2 2 2 2 2 2 2 2 2 3 4 17 27 26 5 5 6 3 2 3 2 2 2 2 2 2 2 4 4 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; 1HNMR: 89 88 dd 1H J 17 41 | 84 83 t 1H J 23 | 81 80 m 2H | 79 78 d 1H J 88 | 78 78 d 1H J 88 | 78 77 dq 1H J 19 99 | 74 73 dd 1H J 41 83 | 46 46 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCC#Cc1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1
ir: 2 2 4 4 2 2 3 3 2 2 2 3 3 7 2 2 2 3 2 3 3 8 11 5 4 2 2 2 3 3 2 3 3 3 3 5 6 4 4 3 3 4 9 37 8 6 3 2 4 4 4 3 12 31 12 3 23 10 3 3 2 2 2 2 2 2 3 4 13 10 4 3 3 2 2 2 2 2 2 2 2 2 2 3 3 9 2 2 2 7 3 2 2 2 2 7 7 3 2 3 7 4 2 2 3 4 16 25 3 3 5 3 2 3 4 3 2 4 5 5 4 3 7 6 4 2 4 2 2 2 3 2 2 2 2 2 2 2 2 3 2 5 11 3 5 24 9 10 5 4 6 51 5 3 2 2 5 4 2 4 3 100 5 0 2 7 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 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 2 2 2 2 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 3 2 2 3 4 6 7 7 30 14 13 53 11 6 4 3 3 3 2 2 2 2 2 3 2 2 2 4 3 3 5 3 13 6 6 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 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 1 2 2 2 1 2 2 2 1; 1HNMR: 89 89 s 1H | 83 83 d 1H J 20 | 80 80 t 1H J 57 | 74 74 dd 1H J 22 121 | 73 72 m 5H | 45 45 dt 2H J 9 57 | 34 34 s 2H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccn(Cc3ccc(F)cc3)n2)sc1C(=O)NCc1cccnc1
ir: 2 1 3 4 6 10 5 12 4 4 4 4 4 4 2 1 2 2 1 1 1 3 2 1 1 1 2 1 1 2 2 1 1 1 1 1 2 5 3 1 1 2 1 1 1 5 3 8 14 14 9 3 6 8 12 22 12 3 3 1 1 1 1 1 4 6 4 3 5 2 1 5 1 1 1 1 2 1 1 3 3 1 2 2 1 3 4 7 1 2 1 5 5 3 7 6 17 13 10 8 4 4 2 3 5 2 1 1 1 1 1 1 0 1 2 1 2 3 12 6 9 3 2 6 4 7 1 2 2 1 1 1 19 4 4 5 5 13 1 2 13 9 18 6 3 18 18 10 16 8 2 4 6 8 1 1 1 0 2 1 1 0 0 1 1 0 1 2 1 0 0 1 0 5 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 2 1 2 2 2 4 3 2 1 5 3 3 8 9 29 67 100 36 20 5 5 3 2 1 1 1 1 1 1 1 1 1 0 1 3 1 1 3 7 3 13 9 6 3 1 1 1 1 1 1 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dq 1H J 10 21 | 85 84 ddd 1H J 13 20 42 | 84 83 t 1H J 59 | 78 77 dtt 1H J 9 19 79 | 74 74 dt 1H J 8 31 | 74 73 ddt 2H J 9 35 74 | 73 72 dd 1H J 43 78 | 72 71 m 2H | 66 66 d 1H J 33 | 54 53 q 2H J 9 | 46 46 dt 2H J 9 60 | 27 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N=S2CCCS(=O)(=O)C2)cc1
ir: 7 12 1 21 52 53 13 2 7 17 69 16 87 8 7 4 3 1 0 1 2 0 1 1 14 3 1 1 3 2 2 12 7 1 6 2 2 6 19 15 2 1 3 4 8 34 41 2 6 12 15 10 15 40 11 5 3 1 1 2 1 7 37 29 30 19 3 8 20 4 13 23 100 4 13 6 3 7 4 5 6 17 19 22 98 40 27 9 33 16 6 4 5 35 15 3 2 3 4 17 12 19 3 5 2 15 25 29 12 8 5 25 8 7 6 10 12 7 7 15 13 12 20 7 15 9 12 10 4 3 2 1 1 2 2 2 2 2 1 1 1 1 2 2 1 1 26 29 9 7 3 2 2 2 2 1 1 2 1 1 3 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 1 0 1 1 1 0 1 1 0 0 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 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 0 1 1 2 1 2 2 3 2 12 20 4 6 5 3 3 4 7 14 44 45 63 58 16 6 5 7 4 1 1 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 m 2H | 73 73 dq 2H J 7 82 | 45 45 s 2H | 33 33 m 2H | 31 30 m 2H | 24 24 d 3H J 10 | 23 22 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCO)c1nccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
ir: 1 2 1 1 1 1 1 1 2 3 1 3 2 2 2 2 1 1 1 0 0 0 0 0 1 2 1 1 2 2 4 4 5 7 5 9 32 32 12 3 2 2 2 1 6 4 3 1 1 1 2 1 2 2 9 24 13 10 4 2 3 2 1 0 3 2 1 1 4 6 1 1 3 2 1 1 1 1 1 1 2 1 1 1 3 4 10 12 8 5 13 4 6 3 2 2 1 1 1 1 1 5 11 0 0 0 0 1 1 1 1 1 2 2 1 4 3 3 4 3 2 4 8 6 2 2 8 3 0 0 0 0 1 1 15 16 1 1 4 100 4 3 2 1 8 15 14 9 15 6 11 11 5 1 2 2 3 4 1 1 0 0 1 10 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 0 1 1 1 1 0 1 1 1 2 2 6 8 14 32 17 14 6 4 3 4 13 3 11 3 1 1 0 0 0 0 1 1 1 1 2 4 7 17 30 7 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 d 1H J 48 | 79 79 d 1H J 48 | 78 78 m 2H | 76 75 t 1H J 64 | 73 72 tt 2H J 15 88 | 71 70 m 4H | 57 56 t 1H J 57 | 36 36 dt 2H J 47 57 | 35 34 dt 2H J 47 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=N)C1(O)CCc2c1ccc(Cl)c2I
ir: 2 2 2 1 2 2 0 2 1 1 1 1 0 1 0 1 1 1 1 2 1 0 1 1 1 0 0 0 0 0 0 1 1 1 1 3 2 8 18 10 11 13 7 3 2 1 1 1 1 1 1 1 1 3 8 3 2 1 1 0 0 0 0 2 2 1 6 7 1 1 3 2 3 1 1 1 2 1 1 4 6 4 4 2 1 5 10 4 3 5 13 2 3 4 1 1 2 3 7 2 1 1 0 0 0 0 1 1 1 4 9 2 1 1 1 1 3 6 3 1 2 7 2 1 1 1 1 3 2 3 2 0 0 0 0 0 0 1 0 0 0 0 0 0 10 3 5 2 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 2 1 2 2 1 0 0 1 5 3 0 3 2 6 2 1 2 1 2 2 50 18 2 2 1 1 3 7 100 63 2 2 1 0 1 1 1 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 73 73 d 1H J 82 | 71 71 d 1H J 82 | 47 47 s 1H | 42 41 m 2H | 32 31 ddd 1H J 49 68 154 | 31 30 ddd 1H J 49 68 154 | 26 25 ddd 1H J 49 68 128 | 24 23 ddd 1H J 50 70 130 | 13 13 t 3H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cn(C2CC2)c2cc(N3Cc4ccc(Cl)cc4C3)c(F)cc2c1=O
ir: 2 4 5 3 2 2 3 2 2 3 2 4 10 8 2 3 3 3 8 4 4 5 5 36 32 19 10 7 4 3 3 2 3 2 3 3 3 3 3 4 4 3 3 2 2 4 6 5 12 8 3 3 7 22 3 2 2 2 3 3 3 3 3 3 2 3 7 4 7 3 6 2 2 2 2 3 5 29 11 4 4 13 3 2 6 4 3 4 4 3 6 8 6 8 4 3 4 4 3 5 3 3 3 6 5 4 3 2 2 2 2 2 2 2 7 2 2 3 4 3 4 2 2 2 2 2 3 3 3 4 4 11 4 2 2 3 3 3 2 2 6 5 3 2 3 9 4 5 12 9 5 4 5 9 3 3 4 2 3 2 3 3 2 2 18 3 7 3 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 2 2 7 4 30 6 7 9 3 4 3 2 0 7 100 39 5 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; 1HNMR: 87 87 d 1H J 18 | 80 80 d 1H J 122 | 74 73 d 1H J 43 | 73 73 dd 1H J 10 23 | 72 71 dd 1H J 24 84 | 71 70 dt 1H J 9 85 | 47 47 m 4H | 39 38 pd 1H J 18 63 | 14 14 m 2H | 12 11 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc(SC(C)=O)c(C)c1O
ir: 6 5 12 4 2 3 3 1 1 1 3 8 3 1 2 5 5 17 16 15 17 33 38 41 30 14 5 3 3 3 6 4 23 64 100 26 1 4 4 1 2 1 1 1 1 1 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 2 11 16 1 0 1 1 2 3 2 4 8 3 4 8 3 3 5 7 3 1 1 1 1 1 10 11 2 1 4 5 6 19 11 2 4 4 10 11 5 10 16 4 1 2 1 1 1 1 2 2 1 1 2 1 1 11 13 6 10 10 3 2 0 1 1 1 1 1 1 1 1 2 9 10 7 29 14 3 2 2 7 10 1 1 1 1 6 14 24 3 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 1 2 1 1 2 3 1 0 4 3 3 5 2 2 2 1 4 21 84 95 39 14 4 2 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 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; 1HNMR: 39 38 s 3H | 25 25 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.
CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(C#N)c(F)c1
ir: 4 2 3 2 0 1 1 1 3 3 2 2 2 1 2 3 2 1 2 1 2 3 2 3 2 1 2 7 2 1 1 2 1 1 2 1 2 1 2 1 2 2 2 1 0 1 1 0 1 1 3 2 4 2 20 100 4 22 9 22 2 2 1 3 3 3 2 0 4 20 3 2 3 2 4 3 2 1 1 2 1 1 1 1 1 3 4 3 5 2 4 3 1 1 1 2 1 5 1 1 2 8 6 11 7 3 1 1 2 4 2 2 4 2 4 5 4 2 3 4 5 5 6 5 7 9 2 3 4 5 2 2 2 2 3 6 4 1 1 1 2 2 1 3 7 29 34 3 4 5 6 4 17 5 2 4 2 1 1 1 1 2 6 1 4 1 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 2 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 2 3 1 0 1 3 4 6 16 18 8 81 89 23 23 5 3 1 2 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 77 77 dd 1H J 47 75 | 76 75 m 2H | 75 75 dd 1H J 21 76 | 73 72 dd 1H J 21 121 | 70 69 m 2H | 69 69 d 1H J 70 | 64 63 dt 1H J 9 70 | 42 41 q 2H J 66 | 38 38 s 2H | 31 30 td 2H J 9 80 | 27 27 t 2H J 80 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1CC[C@@H](C(=O)O)N1C(=O)OCc1ccccc1
ir: 7 8 9 3 1 6 14 5 4 7 5 8 21 10 13 6 8 3 3 29 55 47 52 10 4 5 8 7 2 4 9 6 5 4 3 3 2 3 5 20 17 6 3 2 3 4 2 1 1 3 2 1 1 3 2 1 2 3 4 4 3 3 3 1 3 5 2 3 7 4 3 2 3 3 2 1 4 17 26 47 5 2 3 4 4 6 4 6 6 6 4 2 5 4 1 4 6 8 13 4 3 2 3 4 9 9 5 8 4 12 6 5 4 3 3 3 3 2 2 4 3 3 5 4 6 10 7 12 11 5 27 12 4 7 16 15 6 3 2 3 5 5 17 20 7 4 5 4 3 4 46 34 4 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 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 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 2 3 3 3 4 5 4 4 8 9 7 13 22 12 9 4 4 3 3 4 6 100 65 22 0 3 4 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 d 4H J 43 | 73 73 m 1H | 51 51 s 2H | 44 43 dddd 1H J 8 18 45 62 | 38 37 m 1H | 22 21 ddt 1H J 46 68 124 | 20 19 m 2H | 18 16 m 2H | 15 14 dqd 1H J 58 74 120 | 9 9 td 3H J 15 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(-c2ccccc2)c(-c2ccoc2)s1
ir: 5 3 3 6 2 2 2 3 1 2 5 5 3 2 1 3 5 2 1 3 1 2 2 2 2 2 2 2 7 8 18 16 5 9 7 12 6 18 8 11 28 80 5 15 20 3 29 11 8 8 2 7 5 1 7 3 4 2 5 5 11 49 3 12 16 25 19 4 7 10 9 7 5 2 4 8 3 10 15 7 6 7 3 7 10 4 3 3 2 5 4 5 8 6 2 3 2 2 2 1 1 1 1 1 1 1 4 7 2 1 1 2 2 5 8 8 8 10 12 11 5 3 3 3 2 2 1 11 20 2 3 1 1 3 10 32 3 2 2 2 4 12 52 33 41 11 9 4 11 2 3 6 13 1 1 1 2 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 3 5 6 52 12 22 14 100 20 7 5 5 13 7 61 30 8 6 2 2 1 5 13 6 12 1 2 2 1 10 3 1 2 1 1 1 1 3 4 1 0 0 1 1 1 2 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 76 76 dd 1H J 8 17 | 75 75 dd 1H J 9 16 | 75 74 m 2H | 74 74 m 1H | 68 67 t 1H J 9 | 56 56 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1OS(C)(=O)=O
ir: 8 7 8 6 12 20 7 4 7 4 8 3 3 2 2 3 2 1 0 1 2 2 1 2 2 4 5 5 18 24 9 10 10 5 4 4 8 14 9 5 3 2 3 2 2 1 6 2 2 3 10 10 2 1 3 2 5 7 7 3 1 1 2 2 1 1 1 1 2 1 17 22 25 27 6 3 4 4 2 2 3 2 1 2 1 3 4 16 37 2 1 2 1 1 1 2 1 3 4 4 10 20 7 4 1 2 4 7 12 4 9 4 2 1 1 2 3 3 6 4 3 9 21 5 3 4 3 4 3 4 6 5 3 3 2 1 1 1 2 2 2 0 1 4 20 100 53 19 6 38 29 3 1 2 1 1 2 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 1 2 2 2 2 5 8 17 25 4 5 5 4 2 1 1 1 0 1 1 1 1 2 4 4 1 1 2 1 1 1 1 1 6 14 14 37 13 7 5 3 2 1 1 1 1 1 1 0 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 1 1 0 0 1 1 0 0 1 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: 44 44 ddd 1H J 37 60 73 | 44 43 d 1H J 84 | 38 37 dddd 1H J 34 59 72 85 | 30 30 s 3H | 19 18 m 2H | 18 16 m 2H | 16 15 m 4H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ncccc2C12CCNCC2
ir: 1 2 3 2 2 3 4 17 16 6 9 20 22 9 13 5 5 3 4 4 2 4 14 4 5 4 6 7 12 8 14 23 28 11 9 28 61 46 18 9 10 6 5 1 2 5 3 3 4 7 6 5 9 10 14 4 8 4 7 11 18 32 20 10 26 14 18 5 6 6 4 1 6 5 2 3 7 5 2 1 3 3 1 3 4 5 4 1 3 2 1 2 5 5 6 7 8 4 3 3 3 2 1 2 3 3 2 3 6 8 8 24 21 16 26 48 29 11 5 12 8 3 2 3 6 6 5 8 9 25 9 47 14 6 7 3 3 2 2 6 3 1 1 2 3 1 2 37 13 3 2 5 3 11 87 71 19 79 11 5 3 1 2 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 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 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 3 4 3 2 3 5 3 2 2 4 4 14 17 6 7 24 54 12 2 1 2 3 2 1 2 3 2 3 3 5 8 5 5 12 23 100 19 11 17 19 15 4 3 2 3 3 4 3 3 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 98 98 s 1H | 83 83 dd 1H J 22 40 | 78 77 dd 1H J 22 79 | 72 72 dd 1H J 40 79 | 38 38 p 1H J 36 | 31 30 m 2H | 29 28 m 2H | 25 24 ddd 2H J 29 56 148 | 23 22 ddd 2H J 29 57 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCc1cc2cccc(F)c2nc1-c1ccccc1
ir: 1 1 1 1 1 1 1 1 0 2 3 4 1 2 2 3 1 2 2 3 3 2 1 1 2 2 5 4 9 10 8 8 6 11 10 16 6 17 2 1 3 8 25 4 6 100 57 12 4 0 2 3 10 1 1 2 1 1 1 3 1 1 1 1 8 9 3 3 5 11 14 5 2 1 6 7 3 4 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 3 1 1 1 1 1 1 1 1 2 2 2 6 3 7 3 1 1 5 7 2 1 2 5 7 5 4 8 4 13 7 3 3 2 9 9 7 3 2 5 8 9 3 3 7 3 2 20 9 16 37 69 63 17 11 3 19 13 5 0 1 2 1 0 3 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 3 8 9 13 76 31 10 4 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 2 6 25 11 19 5 13 7 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 dq 1H J 9 14 | 78 77 ddd 1H J 10 22 82 | 77 77 m 2H | 76 75 td 1H J 51 85 | 75 73 m 5H | 49 49 dd 2H J 8 69 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(NC(=O)OCc1ccccc1)C(=O)OC
ir: 3 8 5 12 7 5 6 3 3 2 2 2 2 1 1 1 1 1 2 2 5 1 1 5 6 7 3 3 8 9 4 5 1 2 2 4 7 9 7 13 7 7 4 2 1 1 6 8 2 4 3 4 10 15 3 2 1 2 1 0 2 3 1 1 1 2 7 2 3 3 1 1 2 11 13 3 11 3 2 1 1 1 0 0 1 1 0 1 1 6 2 1 1 2 1 11 12 8 8 2 1 1 1 1 1 2 3 1 1 1 0 1 2 4 3 3 1 1 2 2 2 2 1 1 2 1 5 4 1 3 3 8 11 6 4 7 6 4 1 2 4 11 70 100 14 5 3 3 5 33 3 2 10 6 2 1 1 1 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 25 1 2 4 9 8 23 14 3 4 1 11 4 2 1 1 1 1 2 2 1 2 1 1 1 1 1 3 2 5 13 39 38 5 2 1 1 1 1 1 1 1 1 0 0 0 0 1 1 1 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 74 73 m 6H | 69 68 s 1H | 58 57 d 1H J 27 | 57 56 d 1H J 27 | 52 51 s 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(C)F)nc[nH]c1=O
ir: 11 11 11 14 12 13 16 11 11 11 11 13 16 12 10 11 11 11 10 11 11 11 12 12 11 11 15 11 11 11 12 24 11 11 11 11 11 11 11 11 11 14 19 13 11 11 13 15 11 12 23 19 12 10 11 11 11 10 11 11 11 11 11 11 11 10 11 11 11 11 12 12 15 11 11 11 11 13 12 11 11 10 11 12 11 11 11 11 10 11 11 11 10 14 16 11 11 11 11 11 11 11 11 11 10 11 12 11 10 11 11 11 10 11 11 11 11 11 12 11 11 11 11 11 10 11 13 13 12 14 17 12 11 12 12 11 10 11 11 10 11 13 13 12 23 11 11 11 10 12 15 13 11 13 12 9 10 14 12 4 100 0 8 15 11 8 10 12 11 9 11 12 11 10 11 11 11 10 11 11 11 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 16 14 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 17 15 18 28 12 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11; 1HNMR: 84 84 d 1H J 75 | 59 59 q 1H J 59 | 59 58 q 1H J 59 | 19 19 s 3H | 17 16 dd 4H J 59 222
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC1OCc2cc(C(=O)Oc3ccc(CCC)cc3)ccc2O1
ir: 3 8 22 14 8 7 9 9 3 6 5 6 3 7 7 9 8 15 8 14 4 3 2 2 2 2 5 6 3 2 8 9 11 13 18 6 3 4 4 5 6 1 5 7 4 3 2 3 4 3 4 10 16 3 40 8 12 22 7 12 8 8 5 5 10 6 9 8 7 30 4 9 9 7 11 24 12 9 24 15 16 32 4 0 4 4 3 12 7 23 7 3 5 36 4 3 5 6 5 6 5 3 3 3 8 14 7 5 2 5 5 9 6 8 5 5 10 14 17 50 11 7 3 12 26 19 10 7 5 2 2 3 3 3 1 3 3 2 1 4 3 2 5 92 12 31 65 19 48 35 14 13 7 9 3 3 3 2 2 2 2 2 3 6 3 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 4 2 3 6 7 7 6 5 7 7 4 5 8 12 20 16 100 66 52 25 7 7 3 2 2 3 2 2 2 2 2 1 2 2 1 2 2 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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 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: 80 79 dt 1H J 8 18 | 79 79 dd 1H J 20 90 | 72 71 m 4H | 70 69 d 1H J 90 | 54 53 t 1H J 39 | 50 49 dd 1H J 10 128 | 48 47 dd 1H J 8 129 | 27 26 tt 2H J 9 64 | 20 19 dtd 1H J 39 83 143 | 17 16 m 3H | 16 14 m 1H | 14 12 m 5H | 10 9 t 3H J 76 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(O)=CC(=O)c1ccc(OCC(=O)O)cc1
ir: 5 2 4 4 4 5 1 3 5 5 6 5 7 4 6 5 2 6 15 18 70 60 52 15 14 26 47 26 61 42 21 6 6 12 18 3 3 2 3 1 12 31 9 10 6 8 3 2 5 5 8 4 2 3 8 9 14 6 4 2 1 2 2 2 1 2 3 7 4 19 4 2 5 13 16 13 54 29 28 30 28 11 13 5 5 7 11 5 8 4 3 2 0 5 4 14 18 61 28 7 4 11 5 4 2 1 2 3 2 3 3 2 6 6 4 11 4 23 7 6 7 8 3 6 15 11 4 9 16 7 17 11 3 4 1 2 4 2 1 4 13 14 100 27 14 10 12 5 22 16 6 9 2 1 2 1 1 2 2 3 2 1 1 3 16 2 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 1 0 1 1 0 1 0 0 1 0 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 4 2 1 1 1 1 2 1 2 1 1 2 1 5 13 10 16 15 57 17 13 53 28 85 24 7 11 20 22 10 4 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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; 1HNMR: 80 79 m 2H | 71 70 m 2H | 66 65 s 1H | 47 46 s 2H | 43 43 q 2H J 71 | 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.
COc1ccc(-n2nc(CC(C(=O)O)c3cccc(C)c3)cc2-c2ccc(C)cc2)cc1
ir: 2 1 2 3 2 9 9 12 5 3 0 8 12 14 8 10 15 8 4 29 46 89 36 9 3 3 5 3 3 4 4 3 9 5 3 1 4 2 2 4 1 1 3 3 2 2 4 16 2 1 3 3 5 43 49 37 21 9 6 3 6 7 2 8 3 5 4 3 7 31 1 5 19 7 6 4 5 9 32 5 3 4 1 3 5 5 8 11 14 6 1 1 3 4 1 2 6 15 6 5 2 2 1 3 5 3 1 1 1 2 3 9 5 1 1 2 1 2 2 5 7 4 4 6 14 19 5 8 7 4 2 11 14 7 3 8 3 4 3 1 26 11 14 100 9 0 2 9 34 22 37 16 12 3 3 6 9 3 1 0 1 0 0 1 2 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 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 1 1 2 1 2 2 4 2 2 2 3 3 6 7 7 27 64 32 9 10 7 4 0 2 7 45 63 3 1 2 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 73 72 m 7H | 72 71 t 1H J 19 | 71 71 m 3H | 69 68 t 1H J 8 | 39 38 dd 1H J 65 72 | 38 38 s 2H | 34 33 ddd 1H J 8 69 141 | 31 30 ddd 1H J 8 68 141 | 24 23 d 2H J 9 | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)cc2c(O)c(OCc3ccccc3)c(=O)[nH]c12
ir: 8 18 27 14 34 22 17 11 12 8 6 9 7 9 21 16 3 2 3 4 3 2 3 1 1 3 4 4 11 7 3 35 16 25 13 7 4 4 2 5 24 7 3 5 23 54 34 10 5 1 2 3 2 0 1 2 2 0 2 3 4 6 5 5 5 3 4 13 13 3 6 2 3 2 3 2 2 1 4 3 2 2 13 9 3 1 2 5 28 82 55 20 5 6 5 1 4 13 17 4 2 1 2 1 1 1 1 2 3 2 2 1 1 1 2 2 3 1 3 6 5 4 3 3 4 3 2 1 1 1 2 2 1 4 21 14 13 4 1 2 3 13 22 8 6 2 3 3 2 1 1 8 17 5 2 2 33 41 10 1 2 3 1 4 15 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 4 4 1 2 2 1 2 3 9 8 14 16 26 18 4 3 2 3 4 10 100 77 2 3 2 1 1 1 2 2 2 2 2 4 10 27 17 62 50 6 2 2 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 95 95 s 1H | 78 78 d 1H J 20 | 74 74 d 1H J 20 | 74 73 m 5H | 73 73 m 1H | 52 52 d 2H J 8 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2
ir: 2 1 2 1 0 1 1 1 2 1 4 2 2 8 2 1 2 4 2 2 9 25 25 19 5 2 2 1 1 2 0 1 1 2 1 1 1 1 1 2 4 16 1 1 1 1 1 1 3 2 1 1 0 3 2 6 15 5 5 1 1 0 1 2 1 1 2 1 1 1 2 1 1 3 3 3 2 5 22 10 3 1 0 1 0 1 1 1 4 2 1 1 0 1 1 2 0 0 0 1 1 0 1 1 5 1 2 2 1 3 2 3 1 2 4 14 5 2 0 1 2 2 1 1 2 2 2 4 2 2 1 0 1 1 1 1 1 0 2 2 2 2 4 6 10 3 1 5 4 4 8 5 5 6 7 2 1 3 1 2 1 0 0 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 6 10 14 10 2 3 1 1 2 1 1 4 100 9 1 1 1 1 1 0 0 0 0 1 4 13 8 7 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 80 79 m 2H | 79 79 d 1H J 21 | 79 78 m 2H | 78 77 dd 1H J 21 76 | 69 69 d 1H J 76 | 38 38 s 2H | 22 22 d 6H J 48 | 22 21 hd 3H J 46 55 | 19 18 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C=Cc1ccc2c(c1)Cc1ccccc1-2
ir: 3 13 1 5 7 2 0 3 5 2 0 2 4 3 2 12 12 12 6 5 4 3 2 3 6 4 3 3 3 2 1 2 5 1 1 4 7 2 8 4 9 100 8 17 30 0 2 4 4 2 4 6 16 2 7 16 3 1 2 3 2 3 2 4 3 1 4 6 8 3 27 24 2 2 4 5 5 2 4 21 13 9 29 49 54 7 4 22 1 2 6 3 1 1 3 3 1 3 5 7 4 11 10 3 2 3 6 8 3 2 3 2 0 2 4 2 0 3 6 3 1 4 6 3 1 4 23 4 13 15 14 10 1 6 9 13 31 48 40 6 13 33 98 55 25 3 3 3 3 4 23 4 3 4 7 2 4 4 5 8 3 2 5 1 2 3 2 1 3 3 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 4 3 2 3 4 4 7 3 7 5 5 10 39 22 39 58 57 35 48 14 5 6 3 3 2 2 4 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 1 2 1 1; 1HNMR: 80 80 d 1H J 84 | 78 78 dd 1H J 9 19 | 77 77 dq 1H J 11 75 | 77 76 m 1H | 76 76 m 1H | 75 75 dd 1H J 7 160 | 74 73 td 1H J 12 75 | 73 72 td 1H J 13 74 | 67 66 dq 1H J 10 159 | 41 41 t 2H J 9 | 24 24 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)Cn1c(=N)sc2cc(OC(F)(F)F)ccc21
ir: 7 7 7 9 7 12 1 3 5 2 3 3 2 3 3 4 5 3 1 3 7 11 8 4 3 3 3 3 3 3 3 3 4 4 7 5 8 14 36 55 34 0 6 14 9 3 9 7 5 1 2 3 3 2 4 17 13 3 2 7 4 3 27 6 2 4 11 21 10 1 3 2 2 1 2 3 2 5 14 6 26 10 9 5 6 3 5 5 4 2 3 3 4 2 4 6 10 29 19 40 66 31 13 14 7 27 1 2 5 5 11 3 3 6 4 11 10 11 17 4 11 11 7 15 4 11 18 3 3 2 3 2 2 4 5 6 5 3 2 3 9 53 3 3 5 12 4 12 26 3 2 4 13 7 2 2 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 2 2 2 2 4 2 2 2 2 3 4 5 11 8 3 38 23 4 4 3 2 2 1 2 2 1 1 1 2 5 6 100 38 6 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H | 77 77 d 1H J 79 | 76 76 d 1H J 24 | 72 72 dd 1H J 25 78 | 45 44 s 2H | 34 33 q 4H J 73 | 12 11 t 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccsc1F)c1ccncc1
ir: 4 3 3 3 3 3 2 6 5 3 5 3 4 2 12 4 4 5 6 32 22 21 10 26 18 6 11 14 14 8 5 10 9 1 4 14 10 4 8 44 16 9 14 25 38 37 10 13 15 4 3 3 2 3 8 10 3 0 1 2 1 0 4 34 6 2 2 3 1 1 6 10 24 25 11 2 3 2 2 2 1 1 7 7 0 0 1 2 3 2 5 6 5 3 5 5 4 2 2 1 1 1 2 2 0 4 10 27 21 5 37 100 32 6 6 3 6 4 5 10 9 9 18 47 29 28 15 11 11 6 6 10 14 7 7 4 3 11 13 17 69 56 7 8 14 21 11 5 3 9 8 5 13 7 3 5 1 2 3 3 10 24 13 9 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 3 2 3 2 3 2 3 2 4 4 8 11 14 23 20 48 62 18 30 39 12 2 2 2 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 87 87 m 2H | 78 78 m 2H | 70 69 dd 1H J 48 62 | 68 68 ddt 1H J 9 42 61 | 42 42 dd 2H J 8 34
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc2nc(C)cc(Nc3cc(F)c(C(F)(F)F)c(F)c3)n2n1
ir: 1 3 3 2 1 2 2 2 2 5 3 6 3 3 2 2 3 3 2 2 1 1 1 2 1 1 1 2 3 3 2 2 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 2 2 3 2 1 1 1 1 3 2 1 2 2 1 1 3 4 3 40 24 12 16 2 3 3 5 5 5 8 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 4 3 24 23 0 2 3 5 9 37 14 9 3 2 3 4 13 8 6 3 2 5 5 6 3 3 6 3 4 3 2 2 3 2 3 2 2 2 2 1 1 5 1 1 1 2 2 1 1 2 9 10 2 2 3 1 1 1 2 7 9 4 1 1 1 2 2 100 2 0 1 2 1 1 1 1 5 13 2 3 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 2 2 1 1 3 3 3 3 1 2 3 3 2 2 2 3 2 4 17 17 6 12 13 21 3 3 2 2 2 1 1 1 1 2 1 2 1 1 1 2 2 3 2 1 1 5 9 8 6 7 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H | 72 71 m 2H | 64 64 q 1H J 9 | 44 43 q 2H J 71 | 27 27 d 3H J 9 | 15 15 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Oc2ccc(C=O)cc2)cc1
ir: 2 3 4 3 2 4 4 3 4 5 9 17 7 7 6 2 2 6 3 2 2 3 4 6 5 3 3 2 2 5 4 7 2 4 3 1 2 6 3 1 9 5 4 5 2 4 4 3 9 7 10 24 57 95 100 52 18 11 6 3 4 4 5 21 4 3 3 3 5 65 4 0 4 6 3 2 4 11 3 2 3 4 3 2 4 4 10 5 10 7 4 4 4 3 1 2 4 3 3 8 11 19 3 3 13 18 4 2 3 3 4 16 4 2 1 2 4 2 1 6 7 4 2 5 9 23 11 8 4 3 2 2 3 2 2 3 3 2 3 6 4 8 9 25 44 62 10 26 24 41 13 15 52 10 19 10 5 2 3 4 3 1 3 5 3 2 3 4 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 3 3 2 2 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 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 2 3 2 1 2 3 9 4 2 4 3 1 2 4 3 0 4 6 5 10 17 32 84 63 100 69 22 16 5 4 4 3 4 3 5 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 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 99 99 s 1H | 80 80 m 2H | 73 73 m 2H | 69 69 m 4H | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(c1ccc(O)c(Br)c1)N1CC(NC(=O)Cc2ccccc2)C1=O
ir: 42 10 27 8 15 15 5 5 8 8 12 7 3 2 4 5 6 9 5 8 6 1 3 11 10 11 7 4 11 13 30 14 20 23 16 41 37 18 9 5 28 7 7 4 4 3 5 6 1 2 4 5 8 5 10 17 6 2 1 2 1 1 5 5 3 1 3 13 15 16 3 4 5 7 3 5 14 33 8 7 4 6 4 2 10 100 28 14 4 10 5 8 4 6 47 9 6 20 13 3 7 10 1 2 1 1 2 2 4 15 9 2 2 3 2 2 2 2 3 3 4 4 2 5 7 6 5 11 24 30 15 50 4 15 23 57 16 7 1 4 7 37 41 16 21 19 56 90 33 20 15 21 18 8 4 0 1 2 2 1 1 1 1 0 0 2 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 0 0 0 1 1 0 0 1 1 0 1 0 1 1 0 1 1 0 1 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 2 2 4 3 2 6 17 4 5 8 13 7 12 77 45 7 2 4 2 1 6 16 5 2 1 1 1 0 2 1 2 2 3 5 3 28 30 61 23 8 4 2 1 2 1 1 1 1 0 2 1 1 0 0 0 0 1 1 0 1 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 dd 1H J 7 22 | 73 73 m 2H | 73 72 m 1H | 72 71 ddt 2H J 10 17 72 | 70 70 m 1H | 70 69 m 2H | 55 55 s 1H | 51 51 d 1H J 9 | 47 47 dt 1H J 33 75 | 39 38 dd 1H J 33 110 | 38 37 s 2H | 36 35 dd 1H J 33 110 | 35 34 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCN(c2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)CC1
ir: 2 9 4 5 6 7 12 10 5 8 8 5 5 4 4 15 5 6 6 3 4 4 4 2 4 3 5 6 5 3 2 2 2 4 4 5 4 4 5 3 9 5 31 52 40 11 16 7 4 3 4 5 11 21 12 30 39 12 17 10 6 12 8 9 10 7 6 12 12 5 4 11 18 8 6 6 7 6 1 1 2 2 2 2 6 15 6 18 9 4 4 2 4 5 3 4 9 14 9 7 9 9 4 11 41 17 5 3 5 9 9 11 14 19 5 6 8 3 4 6 5 5 4 4 6 4 5 3 4 7 4 3 4 3 0 6 56 22 4 1 2 2 3 18 22 9 5 13 17 4 17 52 29 34 35 49 74 10 3 2 2 2 4 6 4 1 2 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 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 1 1 0 2 2 1 0 1 2 1 1 1 1 0 1 2 1 1 1 1 2 1 1 2 1 0 2 2 2 2 2 7 3 4 6 4 3 0 4 5 10 2 18 27 22 100 40 5 5 4 6 3 3 1 2 2 2 1 2 2 2 2 4 4 4 4 4 10 35 71 35 8 3 5 8 17 14 2 2 2 1 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 s 1H | 79 79 s 1H | 76 76 m 2H | 74 74 d 1H J 20 | 69 68 m 4H | 42 41 q 2H J 63 | 39 39 s 2H | 36 35 ddd 2H J 57 84 126 | 34 33 ddd 2H J 57 84 126 | 28 27 p 1H J 60 | 23 23 s 3H | 23 22 ddt 2H J 59 84 126 | 20 19 ddt 2H J 59 84 126 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCN(c1ccccc1)c1ccccn1
ir: 2 3 1 3 2 1 2 2 2 2 1 1 1 1 1 1 2 2 1 5 2 1 1 1 2 3 1 7 7 0 2 4 14 9 6 3 2 1 11 44 5 6 23 7 3 4 3 1 2 2 1 0 2 9 33 14 3 1 1 1 1 4 4 4 7 1 6 3 3 4 8 3 2 1 2 9 2 5 4 3 7 2 10 2 2 1 1 1 1 1 1 1 1 2 2 4 2 3 5 3 2 2 1 1 1 2 1 1 2 3 8 8 1 2 6 7 4 2 2 3 9 3 3 3 6 4 3 2 7 2 2 2 2 1 5 8 9 7 3 11 12 4 4 25 92 77 27 2 1 15 5 29 28 2 5 3 2 0 100 5 7 14 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 3 4 6 9 12 34 93 20 12 4 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 dd 1H J 17 45 | 81 80 m 2H | 76 75 td 1H J 16 71 | 74 73 m 2H | 71 70 m 3H | 39 38 t 2H J 71 | 36 36 s 2H | 27 27 t 2H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(NCc2cccc(C)c2O)n1
ir: 15 3 7 3 4 4 5 5 8 12 17 4 11 9 8 4 23 8 25 18 7 5 5 14 8 6 12 8 11 7 6 12 9 16 27 26 10 4 35 9 12 12 3 6 6 27 40 43 11 12 5 4 3 2 8 10 4 3 11 2 4 7 20 5 10 6 7 4 7 4 2 5 10 2 2 1 1 4 6 9 9 10 4 3 2 7 24 28 25 5 2 1 6 11 2 3 1 3 5 9 3 9 5 3 2 7 22 23 13 3 2 2 0 1 2 2 5 5 5 9 14 6 4 3 2 2 3 5 7 6 7 1 1 2 5 11 23 18 5 20 17 23 18 5 3 7 45 21 13 9 4 3 1 4 3 38 58 21 26 7 2 1 2 3 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 1 0 0 1 1 1 1 0 1 0 0 1 1 0 1 1 0 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 2 2 2 3 2 5 4 6 18 36 42 9 9 6 19 94 29 5 4 4 2 1 1 2 1 0 1 1 1 1 2 2 1 2 26 100 56 17 3 2 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 m 1H | 71 70 m 3H | 70 69 m 1H | 66 65 dd 1H J 11 77 | 62 61 dd 1H J 11 77 | 57 57 s 1H | 48 47 dd 2H J 9 57 | 40 39 s 2H | 22 22 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4C[C@H](C)OC4=O)cc3)CC2)nc1C
ir: 6 5 5 4 6 5 4 2 1 3 5 2 1 1 4 2 2 2 3 5 1 3 1 3 5 3 1 4 2 3 3 2 9 23 8 12 21 63 25 23 100 29 17 4 3 2 2 10 10 0 1 2 1 4 6 53 9 48 11 2 2 8 5 3 2 2 3 3 16 11 4 6 3 2 1 1 12 2 1 2 5 4 7 7 4 2 1 6 29 12 9 6 3 6 10 6 6 9 11 1 3 5 4 6 4 18 35 9 5 3 1 2 9 6 24 6 4 21 23 17 15 8 17 6 12 26 2 5 20 11 8 3 5 11 46 48 10 6 7 21 43 5 2 7 15 84 17 12 7 20 53 43 48 13 4 2 1 1 1 4 1 0 4 4 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 1 0 1 1 2 3 3 1 1 2 1 3 3 2 3 4 6 10 26 28 22 20 67 15 8 4 6 2 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 74 73 m 2H | 70 69 t 1H J 8 | 50 49 qdd 1H J 14 32 59 | 41 41 dd 1H J 14 120 | 39 38 dd 1H J 32 120 | 37 36 m 4H | 36 36 m 4H | 24 24 s 2H | 23 22 s 3H | 22 21 s 3H | 14 13 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2cccc(OCc3c(Cl)ccc(C4OCCO4)c3Cl)c2n1
ir: 2 2 5 9 6 7 3 5 1 2 2 1 2 3 4 1 0 5 11 6 4 4 3 1 1 2 3 2 1 7 5 1 2 3 4 7 7 4 4 4 2 4 11 12 49 96 7 3 7 39 83 20 13 11 28 4 2 9 3 1 8 7 13 3 4 19 4 1 11 6 3 0 4 11 3 26 30 52 49 14 7 13 12 1 3 4 9 19 6 4 1 2 4 4 4 3 10 5 1 5 7 7 12 5 4 4 6 5 9 18 1 6 6 4 1 15 8 4 3 3 4 7 1 4 9 9 6 4 6 6 2 12 17 15 5 7 4 5 4 11 9 5 2 4 9 6 54 13 5 5 7 19 4 1 56 5 10 3 5 22 2 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 2 1 0 1 2 1 1 1 3 2 1 2 3 7 1 3 3 4 3 3 8 3 3 5 7 4 9 25 33 29 100 96 12 13 5 4 3 5 4 5 3 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 77 dt 1H J 8 79 | 74 74 m 2H | 74 73 t 1H J 87 | 73 73 m 1H | 73 73 d 1H J 85 | 71 70 dd 1H J 11 86 | 59 59 d 1H J 7 | 53 53 s 2H | 41 40 m 2H | 40 39 m 2H | 27 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CCN(c2ccc3c(C(=O)NC[C@@]4(O)CCC[C@@H](C)C4)c(Cl)ccc3n2)C1(C)N
ir: 3 2 3 2 11 2 1 2 1 4 2 1 2 1 1 2 4 2 2 1 6 2 3 3 2 2 4 3 4 2 4 2 2 3 3 1 2 5 7 5 17 3 3 3 2 2 3 6 2 2 2 2 3 8 100 3 4 3 4 3 1 2 1 1 1 2 2 6 4 2 2 2 3 11 9 5 14 5 3 5 7 31 1 2 2 1 1 3 2 3 2 4 6 7 5 4 2 2 2 1 3 3 3 6 4 3 5 4 4 11 10 2 2 7 4 3 2 3 5 7 4 5 5 6 5 17 25 17 3 5 6 9 3 3 4 5 10 4 3 3 8 5 4 2 4 8 6 40 11 4 2 23 6 2 1 2 3 7 12 2 1 1 0 1 1 0 3 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 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 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 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 1 1 2 3 2 2 1 1 3 1 2 5 11 8 7 13 25 7 4 3 2 2 6 5 6 4 2 2 2 2 1 3 4 13 28 13 0 5 35 13 4 7 2 1 3 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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: 84 84 d 1H J 70 | 80 80 d 1H J 84 | 76 76 d 1H J 84 | 72 71 d 1H J 70 | 71 70 t 1H J 61 | 37 36 m 2H | 36 34 m 2H | 32 32 s 1H | 20 19 dddd 1H J 46 68 86 130 | 18 14 m 12H | 14 13 d 3H J 14 | 13 12 m 2H | 10 9 m 5H | 9 8 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)O
ir: 9 5 3 2 1 1 2 4 49 11 4 20 15 10 17 6 3 12 23 10 45 100 33 10 2 2 2 1 1 4 2 1 6 2 2 2 2 2 2 2 2 2 3 6 6 6 8 2 2 3 3 3 5 3 29 26 3 4 12 5 4 3 3 4 6 10 12 13 19 10 6 2 2 3 2 4 3 12 28 39 16 15 7 19 18 8 9 9 26 4 2 2 3 3 0 11 53 9 2 5 4 35 59 30 25 11 9 9 5 5 1 2 1 1 2 2 3 11 13 7 7 10 20 25 28 4 3 3 2 1 1 2 2 1 1 2 1 1 1 1 1 2 2 1 3 12 32 3 6 6 5 2 2 1 1 2 1 1 1 1 10 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 4 4 3 3 5 6 5 12 17 4 7 4 1 4 4 2 1 5 16 8 2 2 2 1 0 2 2 1 3 72 82 9 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 79 79 d 1H J 110 | 79 78 m 2H | 73 72 m 2H | 35 34 dddt 1H J 15 31 77 106 | 22 21 dhept 1H J 62 75 | 10 9 dd 3H J 15 64 | 9 9 dd 3H J 15 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2ccccc2)nc1/C=C/c1ccc(Br)cc1
ir: 1 2 2 2 6 3 6 6 7 5 15 19 19 10 5 2 1 1 1 1 1 3 5 5 7 5 3 7 18 26 24 16 25 6 4 3 2 3 4 8 50 32 8 2 2 1 2 1 1 2 4 8 20 8 28 10 2 2 2 2 4 4 7 3 5 1 4 12 17 26 5 4 8 15 45 39 25 9 25 4 3 10 3 2 2 3 4 1 1 1 3 6 2 2 13 11 5 3 4 3 3 7 1 3 6 3 4 2 1 2 2 4 19 6 1 3 11 10 3 4 5 7 10 16 10 9 20 12 5 0 4 41 14 3 5 35 42 11 4 3 1 3 9 50 98 21 31 5 8 2 5 14 26 22 3 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 2 2 1 1 1 2 2 1 4 4 5 2 10 54 37 26 87 100 55 74 17 9 7 6 3 1 3 4 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 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 0 0 0 0 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: 80 79 m 2H | 75 74 m 8H | 72 72 d 1H J 154 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(NC(=O)c1ccccc1C(F)(F)F)C(=O)OC
ir: 8 7 17 2 3 4 5 6 3 3 6 3 11 9 4 8 8 5 6 4 7 8 4 13 12 7 6 3 4 11 11 10 28 26 13 11 10 6 12 18 38 13 42 22 8 28 10 33 21 9 9 1 19 17 20 8 11 3 3 2 4 10 8 4 9 4 12 2 5 5 3 3 3 9 26 24 14 6 6 9 11 8 10 7 5 2 1 2 1 2 2 1 3 2 1 2 4 7 15 29 25 8 38 30 53 42 40 27 11 10 18 25 26 19 10 11 10 9 8 19 9 19 16 13 4 4 2 2 5 11 24 28 18 7 5 9 45 100 24 3 6 10 24 58 74 44 17 14 2 6 3 11 2 2 2 2 4 3 1 0 4 2 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 1 1 1 0 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 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 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 3 3 4 4 3 5 8 13 37 40 6 2 3 3 2 3 3 2 1 2 3 3 5 3 3 23 29 49 44 58 15 27 56 48 41 7 4 4 3 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 78 77 ddd 1H J 15 67 106 | 74 73 td 1H J 15 70 | 69 69 d 1H J 77 | 55 54 ddq 1H J 15 59 74 | 45 44 dq 1H J 49 59 | 38 37 s 2H | 24 24 dd 3H J 15 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CC1CCc2ccsc2S1
ir: 25 17 4 3 3 1 2 6 11 4 3 9 9 5 4 4 3 2 2 2 2 1 1 1 2 1 1 2 3 1 1 1 1 1 1 1 1 3 4 2 3 9 22 19 43 100 6 12 19 2 2 4 2 0 7 10 8 7 2 5 8 1 4 10 37 7 7 14 6 3 4 2 2 2 2 2 2 3 17 8 4 7 5 5 2 3 20 89 35 17 12 26 57 20 2 4 3 5 7 22 9 5 40 79 10 3 2 5 6 10 7 3 2 3 3 5 6 9 7 4 3 4 3 4 4 3 4 3 3 11 10 34 18 29 9 2 2 2 2 2 9 2 2 1 1 1 1 2 2 1 1 32 35 5 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 4 5 4 4 2 10 7 10 11 5 22 19 18 5 3 7 71 58 6 2 3 3 2 1 2 2 5 4 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 70 70 d 1H J 49 | 67 67 dt 1H J 8 49 | 35 34 tt 1H J 33 42 | 29 27 m 3H | 26 25 dd 1H J 33 104 | 24 23 s 5H | 23 22 dddd 1H J 42 49 75 124 | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1
ir: 17 22 5 12 8 10 8 13 4 16 14 23 20 16 7 13 4 6 4 11 5 48 20 5 10 6 3 3 2 2 3 2 2 2 1 2 2 3 6 2 3 3 9 6 18 90 85 11 15 10 30 25 5 10 6 3 2 7 5 1 6 20 9 1 3 5 7 16 36 6 15 23 3 4 8 6 4 4 5 5 3 3 1 1 2 3 1 5 3 3 2 2 4 12 2 2 4 6 3 3 3 6 3 7 6 18 11 13 9 4 7 15 32 33 43 24 10 7 22 27 16 60 56 59 28 14 5 16 27 18 11 14 15 8 17 7 8 5 9 22 13 9 4 4 4 2 1 4 3 4 7 57 7 1 1 2 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 1 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 6 6 3 4 4 3 5 5 3 2 5 10 8 10 56 17 5 3 4 2 2 1 2 2 1 1 2 2 3 3 2 3 4 4 6 8 12 100 17 11 3 3 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2; 1HNMR: 36 34 m 5H | 30 30 dddd 1H J 28 38 57 130 | 29 28 dddd 1H J 27 38 55 128 | 28 27 m 1H | 23 23 dt 1H J 27 75 | 17 15 dp 1H J 64 72 | 15 14 s 8H | 9 8 dd 3H J 15 65 | 8 8 dd 3H J 15 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Oc1ccc(Oc2ncc(Br)cc2F)cc1)C(=O)O
ir: 2 2 2 3 6 3 3 13 12 7 2 4 4 9 17 7 10 4 7 7 5 14 100 22 4 4 4 6 4 3 1 2 2 1 5 9 9 1 8 16 17 5 17 5 5 5 2 3 1 2 1 3 2 4 25 48 15 8 4 11 7 3 1 1 1 2 3 9 9 22 6 3 4 1 2 2 3 6 23 19 11 4 9 11 2 3 2 4 5 8 6 5 4 2 2 6 11 4 2 1 1 1 0 1 0 7 2 2 4 4 10 7 2 1 1 1 2 2 0 7 3 1 1 5 10 4 2 2 2 2 2 6 23 1 1 1 1 1 1 2 2 1 7 48 10 17 3 8 52 5 7 10 33 9 3 2 1 4 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 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 0 0 1 1 1 1 1 2 0 1 1 1 1 1 1 1 0 1 2 4 2 9 7 18 49 46 12 3 1 2 4 3 5 80 37 6 4 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 19 | 78 77 dd 1H J 18 121 | 70 70 m 2H | 69 68 m 2H | 49 49 q 1H J 63 | 15 15 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)N[C@H]1CCC[C@H]1Oc1ccc(Br)cc1
ir: 15 3 2 5 12 14 8 1 9 3 2 1 1 1 0 1 1 0 0 1 2 1 0 1 1 1 1 1 1 1 2 2 2 4 2 2 1 3 4 6 6 21 34 6 9 8 5 6 2 2 3 6 4 12 53 14 19 3 2 3 1 0 2 3 7 1 2 11 39 31 37 8 3 13 10 1 2 3 4 2 4 9 2 1 1 2 3 35 15 2 1 1 2 3 2 1 2 1 1 3 3 9 14 32 33 19 45 12 12 27 5 4 4 10 5 6 6 5 7 3 2 3 5 2 4 2 1 1 1 2 4 3 9 7 1 1 1 1 0 1 1 0 1 1 1 2 56 9 3 2 1 1 3 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 1 0 1 0 0 1 1 1 1 1 1 1 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 5 5 2 18 20 6 12 34 17 4 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 3 61 100 7 2 1 1 1 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 0 1 0 0 0 1 1 0 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 74 74 m 2H | 69 68 m 2H | 58 57 d 1H J 101 | 47 47 tq 1H J 18 37 | 37 36 dddd 1H J 19 38 74 118 | 32 30 hept 1H J 80 | 20 19 m 2H | 19 17 m 2H | 17 16 dddt 2H J 15 55 72 110 | 13 12 t 6H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2ccc(Nc3cc(-c4ccc(N)nc4)nc(N)n3)cc2)ccn1
ir: 1 2 1 2 3 1 2 6 0 4 1 2 2 3 2 3 2 2 1 2 1 2 3 3 4 1 3 3 2 2 2 2 5 2 4 3 7 18 7 7 3 3 4 1 2 3 2 2 2 2 1 1 1 2 6 3 5 2 3 2 1 2 1 2 2 3 3 3 3 4 6 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 2 1 1 1 1 1 1 4 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 2 1 10 3 2 1 2 2 2 2 13 8 19 7 9 6 44 19 7 7 2 2 3 11 5 3 2 5 9 9 1 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 1 0 1 1 1 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 10 6 4 1 2 2 1 1 1 1 1 1 1 1 1 2 3 3 7 15 2 1 2 2 5 5 18 6 3 9 18 100 6 4 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 19 | 87 87 s 1H | 82 82 dd 1H J 19 83 | 81 80 d 1H J 49 | 73 73 m 2H | 69 68 m 3H | 68 68 s 1H | 67 66 m 2H | 59 59 s 2H | 52 52 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2csc3cc(OCCCCN4CCCC4)ccc23)cc1
ir: 0 1 3 4 2 2 2 1 1 1 3 1 2 2 1 2 1 1 4 4 2 3 2 1 0 1 1 0 0 1 1 2 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 3 1 7 3 2 10 38 80 74 26 1 4 3 2 1 3 11 6 2 20 10 24 12 7 2 1 2 1 2 1 4 21 6 6 3 2 5 2 7 8 17 3 5 1 1 3 2 22 8 1 4 5 1 1 2 1 1 1 2 6 5 2 2 2 4 10 12 4 3 2 5 2 9 5 2 4 2 4 4 4 2 5 14 3 2 9 4 1 2 1 2 5 7 2 3 16 28 2 0 0 1 3 13 13 8 13 23 6 0 1 2 2 0 1 6 2 6 1 1 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 2 1 2 3 2 1 2 3 4 0 2 14 14 9 33 100 25 34 26 11 8 7 2 1 3 4 1 0 2 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 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 d 1H J 78 | 75 75 m 2H | 74 74 d 2H J 18 | 72 72 m 2H | 69 68 dd 1H J 22 79 | 40 40 t 2H J 60 | 27 26 td 4H J 19 37 | 26 25 t 2H J 60 | 19 18 p 4H J 19 | 18 17 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1c2ccccc2CCN1c1nc(Cl)nc2c(OC)cccc12
ir: 3 1 1 6 7 7 1 2 3 3 1 2 3 4 2 3 2 2 1 2 3 1 1 12 17 3 3 2 2 2 3 5 10 16 4 7 3 3 3 4 3 10 29 4 3 15 100 13 3 0 2 6 5 10 25 7 5 3 2 3 4 1 2 4 2 2 4 3 3 2 4 7 4 2 4 6 9 4 8 6 2 3 5 3 2 2 3 10 7 5 7 7 3 3 4 3 1 3 5 8 4 4 5 4 2 3 3 2 1 2 4 2 1 2 5 10 8 3 5 3 1 4 6 6 2 2 3 3 3 3 5 9 22 6 7 18 13 6 6 6 44 5 11 53 16 5 45 30 3 13 3 13 54 5 4 1 1 3 2 2 2 3 2 8 3 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 3 2 2 4 5 8 9 7 17 27 30 6 4 4 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 79 dd 1H J 12 100 | 74 74 dd 1H J 89 100 | 72 71 m 3H | 71 70 ddd 2H J 16 69 80 | 46 45 m 1H | 40 39 ddd 1H J 46 71 137 | 39 39 s 2H | 39 38 ddd 1H J 46 71 137 | 31 30 dddd 1H J 9 46 71 139 | 30 29 dddd 1H J 9 46 71 139 | 21 20 dqd 1H J 60 76 121 | 18 17 dqd 1H J 60 76 119 | 10 9 td 3H J 16 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)c2ccccc2)c(OC)cc1C[C@@H](C)NC(=O)C(F)(F)F
ir: 5 5 4 4 7 2 2 5 4 4 4 3 3 1 0 3 3 3 17 8 6 4 8 8 6 1 3 6 9 5 12 15 16 16 12 75 48 30 42 64 37 13 21 20 14 20 16 4 5 2 3 2 2 1 1 3 4 4 4 2 2 17 8 4 6 7 6 7 31 11 5 4 4 4 6 3 4 7 21 7 5 2 5 5 4 2 3 3 1 1 3 3 3 3 3 5 14 7 78 55 1 3 5 8 3 2 4 3 1 2 6 6 18 15 5 4 5 6 14 9 8 10 4 8 11 18 9 25 15 5 5 2 3 11 7 3 7 42 6 4 4 5 9 18 43 29 84 22 8 14 8 3 4 10 11 7 2 3 2 1 3 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 2 3 2 2 2 2 3 3 1 2 4 3 1 7 10 23 13 17 100 31 8 4 4 3 2 2 3 2 0 2 2 1 1 5 4 3 1 3 3 4 2 7 69 62 24 6 4 2 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 78 77 m 2H | 76 75 m 1H | 75 75 m 2H | 73 73 s 1H | 69 68 m 2H | 41 40 dq 1H J 58 109 | 39 38 d 6H J 33 | 31 30 ddd 1H J 8 60 150 | 29 28 ddd 1H J 9 60 150 | 12 12 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.