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[O-][n+]1nc(Oc2ccc(OCc3ccccc3)cc2)nc2ccccc21
ir: 2 2 2 2 1 2 3 3 3 6 13 8 5 6 4 2 2 2 2 2 2 4 4 2 4 5 10 18 8 11 6 4 3 4 3 2 4 8 8 10 17 19 14 21 100 16 9 11 3 0 3 4 4 11 32 25 14 8 3 3 3 3 2 5 5 3 12 5 6 17 6 5 3 4 5 3 2 2 2 2 2 3 3 4 9 3 2 4 4 3 2 2 2 2 2 2 2 3 2 2 2 2 6 2 2 3 2 4 1 2 2 2 1 2 3 6 8 2 2 2 4 8 12 4 2 3 3 2 3 2 2 3 17 28 9 27 14 5 2 1 7 26 18 52 8 7 6 12 47 22 3 4 12 8 9 5 5 17 9 8 4 3 5 23 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 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 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 2 2 2 1 2 2 2 2 1 1 1 2 2 2 2 2 2 2 2 3 5 7 9 21 65 27 18 7 5 4 2 3 2 2 2 2 2 2 2 2 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 m 2H | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 70 69 m 2H | 69 68 m 2H | 51 50 d 2H J 10 | 38 37 dd 1H J 15 58 | 31 30 dd 1H J 15 58 | 28 27 ddd 1H J 15 44 59 | 24 23 ddd 1H J 16 45 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)N(c1ccccc1F)C1(c2nnc(CC)o2)CCN(Cc2ccccc2)CC1
ir: 3 4 5 5 9 6 7 8 5 1 3 3 3 2 1 6 2 3 1 3 1 3 2 3 2 2 5 1 2 7 4 7 3 4 2 1 8 10 9 21 22 8 43 18 30 5 5 2 6 5 5 3 2 3 1 0 3 1 2 1 2 2 2 2 1 3 3 5 7 4 4 4 5 2 4 9 8 16 32 11 16 7 6 6 4 6 2 6 4 37 2 2 11 4 2 2 4 5 4 4 8 3 4 2 3 1 1 1 2 1 1 3 1 3 7 3 4 5 4 5 5 7 6 5 27 6 8 6 3 4 5 3 5 4 12 11 25 30 11 2 4 8 38 17 7 2 5 15 100 5 2 1 1 1 2 2 1 0 0 4 1 1 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 2 2 3 7 4 4 1 3 8 4 5 14 18 20 31 27 20 8 6 3 2 1 1 3 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 ddd 1H J 15 35 74 | 74 72 m 4H | 73 73 s 3H | 71 70 ddd 1H J 14 80 98 | 36 35 d 2H J 8 | 31 30 m 4H | 29 28 ddd 2H J 39 67 123 | 26 25 ddd 2H J 40 68 148 | 24 23 q 2H J 72 | 23 22 ddd 2H J 39 67 148 | 14 13 t 3H J 78 | 11 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OC)cc1CBr
ir: 12 10 8 13 10 14 10 13 7 9 3 4 8 8 11 12 13 7 13 4 12 3 5 3 3 2 3 3 2 2 4 11 7 3 2 3 7 5 10 7 4 2 1 3 2 2 1 3 2 0 1 5 3 5 48 20 13 9 8 10 4 3 4 6 12 7 6 10 13 3 5 6 3 1 7 4 5 3 10 12 1 2 2 2 2 2 6 13 4 3 3 4 6 18 9 4 2 2 3 2 1 3 9 10 6 5 10 10 9 14 43 19 12 7 8 5 6 4 6 8 16 12 5 6 5 5 5 8 10 15 8 5 4 4 3 8 17 37 16 6 4 2 2 2 2 2 2 3 6 9 8 13 50 13 22 13 20 5 2 2 3 4 24 5 2 3 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 6 5 4 2 4 3 1 5 12 22 28 33 100 76 5 5 6 2 3 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 79 78 d 1H J 88 | 70 70 dt 1H J 9 20 | 69 68 dd 1H J 20 88 | 48 48 d 2H J 7 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)c1
ir: 2 5 4 5 3 4 5 9 7 8 6 6 5 3 7 3 7 5 5 4 8 7 8 6 3 10 5 3 3 3 4 5 7 4 3 2 3 4 4 2 4 10 12 10 16 40 20 22 22 9 6 3 3 2 5 4 3 2 2 2 3 2 2 4 2 3 2 5 3 3 3 4 11 5 7 4 5 11 4 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 4 7 4 3 2 3 2 5 6 3 2 2 2 2 3 4 14 2 3 3 4 1 3 5 8 4 3 3 4 7 3 2 2 3 3 8 3 2 2 3 1 1 2 2 3 2 4 3 2 4 100 9 22 27 6 7 11 17 30 19 9 7 4 4 3 9 42 10 4 3 5 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 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 3 4 15 18 10 8 3 3 2 2 2 2 2 2 2 2 1 2 2 3 5 20 4 3 2 3 4 25 7 1 6 5 0 42 100 0 7 5 0 1 3 2 1 1 3 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 86 85 d 1H J 18 | 84 83 m 2H | 83 83 d 1H J 18 | 83 82 t 1H J 22 | 80 80 ddd 1H J 13 22 79 | 77 76 ddd 1H J 11 22 82 | 75 75 t 1H J 80 | 74 74 m 2H | 73 73 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(CN2CCOC[C@H]2C(=O)O)NC(c2nccs2)=NC1c1ccc(Cl)cc1Cl
ir: 1 5 8 4 4 8 4 4 24 6 11 7 2 13 6 7 5 11 9 35 34 27 14 21 10 12 10 4 17 11 52 48 35 29 4 16 24 15 4 11 4 19 16 7 9 6 5 8 13 6 9 4 14 9 20 28 6 0 1 2 2 1 2 2 2 9 19 3 2 15 2 1 4 4 6 5 7 15 40 26 13 8 5 9 11 6 5 5 10 9 11 21 5 11 5 5 7 5 7 4 12 3 0 2 5 17 14 11 4 5 11 3 3 2 2 3 3 2 3 2 1 2 0 3 4 5 5 3 4 2 2 2 1 1 2 1 1 3 2 6 21 10 10 20 13 6 8 8 9 3 2 10 50 90 18 3 2 7 53 13 8 2 0 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 3 5 15 12 14 10 2 1 1 1 2 2 0 10 100 36 3 2 4 2 2 2 1 0 1 1 3 3 12 21 19 12 7 7 5 2 2 2 3 1 1 2 1 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 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 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 80 79 d 1H J 46 | 75 75 m 2H | 75 74 d 1H J 46 | 74 73 dd 1H J 21 80 | 58 57 q 1H J 10 | 42 41 q 2H J 71 | 41 40 dd 1H J 32 105 | 39 36 m 6H | 31 30 ddd 1H J 37 60 130 | 29 28 ddd 1H J 37 59 130 | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c(OCC2CO2)c(-c2ccccc2)oc2ccc(OCC3CO3)cc12
ir: 1 3 3 3 1 3 6 3 3 6 6 3 1 4 4 3 1 3 3 2 1 2 3 1 1 3 3 1 1 6 4 7 9 11 16 22 14 27 7 12 12 9 36 3 7 7 10 78 6 10 3 3 4 25 41 25 2 4 3 2 2 3 2 0 4 10 7 4 14 20 11 4 5 8 5 14 11 11 4 3 5 4 4 2 3 7 10 2 3 5 4 3 3 2 1 3 5 15 0 3 4 6 5 2 5 2 1 1 3 2 0 1 3 1 0 1 4 3 7 11 4 3 2 4 6 3 1 2 4 2 1 3 4 12 13 9 3 7 5 2 4 2 5 22 20 20 11 3 12 11 4 8 7 17 4 5 4 13 3 3 2 6 2 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 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 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 0 1 3 2 1 2 3 4 4 10 6 9 4 17 19 19 100 44 23 15 8 6 4 2 3 2 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 82 82 m 2H | 77 76 m 2H | 76 76 m 1H | 74 74 d 1H J 27 | 74 73 d 1H J 90 | 69 69 dd 1H J 26 90 | 44 44 dd 1H J 36 113 | 42 41 ddd 2H J 34 114 216 | 40 39 dd 1H J 32 118 | 35 34 p 1H J 34 | 34 33 p 1H J 30 | 30 29 dd 1H J 30 76 | 29 29 dd 1H J 28 77 | 28 27 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)[C@H]1O[C@H]1C2
ir: 4 6 7 6 5 21 0 3 3 3 1 2 4 7 5 4 6 4 1 3 2 5 3 2 3 1 2 2 2 2 2 4 15 3 8 7 6 4 2 2 1 1 2 5 3 0 1 1 1 1 7 27 33 3 5 13 21 13 14 33 5 2 6 61 43 23 25 16 33 11 2 5 4 3 2 3 7 12 6 5 8 2 1 2 2 7 17 3 2 7 8 5 3 64 100 9 12 4 3 2 0 1 2 1 1 4 6 3 2 2 2 2 1 1 2 1 1 4 7 7 5 5 6 3 1 2 3 4 1 2 2 1 0 1 2 1 1 2 2 3 23 6 2 1 2 5 3 6 10 12 15 11 4 11 6 7 1 2 1 1 1 3 28 5 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 2 1 2 6 4 2 3 3 2 2 4 17 68 16 61 77 49 13 7 3 3 1 1 2 1 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 71 71 dt 1H J 9 90 | 68 68 m 1H | 67 67 dd 1H J 22 90 | 45 44 d 1H J 28 | 38 38 s 3H | 37 36 dt 1H J 25 42 | 33 32 ddd 1H J 9 24 145 | 30 30 ddd 1H J 9 42 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C(=O)OCc2ccccc2)c(=O)n(-c2ccc(F)cc2)n1C
ir: 9 4 1 7 11 5 3 5 7 6 5 5 9 4 3 5 6 3 2 5 8 6 6 5 6 3 2 7 7 7 11 20 13 3 5 6 6 7 6 23 29 12 15 29 42 9 10 13 19 7 6 7 4 7 8 25 26 7 7 9 5 2 5 6 5 4 5 7 17 3 5 7 4 2 9 9 9 6 8 7 8 14 7 6 3 3 5 7 8 10 6 5 3 3 6 6 4 7 9 6 1 10 7 5 2 14 9 7 5 4 7 4 2 5 7 5 3 5 7 6 3 6 7 9 7 5 7 4 2 5 6 4 3 8 14 11 6 7 7 3 3 8 15 8 16 8 7 14 73 55 55 8 7 9 6 0 29 1 100 4 3 6 4 2 4 6 4 2 4 6 4 1 4 6 4 2 4 6 3 2 4 6 3 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 5 5 3 3 5 4 3 3 5 4 3 3 5 5 3 5 6 4 3 4 6 5 3 4 6 5 4 7 7 23 14 23 29 53 20 9 7 5 4 7 6 4 2 5 6 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 5 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2; 1HNMR: 77 76 m 2H | 74 73 m 6H | 71 70 m 2H | 52 52 s 2H | 33 33 s 2H | 25 25 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc1CC(=O)O
ir: 0 0 0 0 0 1 1 1 1 3 3 1 2 1 0 0 1 0 0 1 2 2 7 3 2 1 1 1 0 1 1 0 0 1 1 0 0 0 0 0 1 2 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 0 1 1 1 0 0 0 1 0 1 2 4 5 6 1 1 2 3 0 2 1 4 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 2 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 0 1 0 0 0 0 2 6 4 2 1 1 1 1 11 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 1 2 3 2 1 2 2 1 0 0 1 2 2 40 32 100 19 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 s 2H | 60 59 s 1H | 36 36 s 2H | 24 23 s 3H | 15 15 s 18H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)COCCc1cnn[nH]1
ir: 4 4 4 4 2 8 7 6 3 5 3 5 10 5 5 6 2 8 9 22 38 53 100 56 10 11 3 4 1 1 1 1 1 2 2 10 1 1 1 1 1 4 1 3 5 5 11 11 13 17 5 6 4 3 2 2 2 1 1 1 1 2 4 2 2 3 2 4 15 4 5 6 3 2 1 4 8 23 25 51 33 15 3 3 2 4 3 8 4 2 1 1 1 2 3 1 5 12 5 7 7 4 1 1 1 1 0 1 1 1 0 1 2 3 1 1 1 2 1 2 3 4 3 6 10 2 2 4 3 1 1 2 3 8 2 1 1 0 0 2 4 7 7 26 9 16 41 24 3 0 2 2 1 0 1 2 1 20 2 0 0 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 1 1 1 1 2 3 2 1 1 1 1 3 11 2 1 1 1 1 1 1 1 1 1 1 1 6 2 1 1 0 0 0 1 1 1 1 1 1 3 4 5 60 12 24 3 4 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 2 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 d 1H J 9 | 41 41 s 2H | 41 40 t 2H J 59 | 30 29 td 2H J 9 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2c(ncn2CC(CO)(CO)CO)c(=O)[nH]1
ir: 6 9 7 6 4 6 3 6 3 10 9 6 5 9 5 10 19 18 11 9 20 7 16 8 12 18 30 51 19 9 11 26 16 10 7 15 10 6 10 21 8 8 11 30 18 6 14 15 13 19 9 15 10 5 10 10 10 2 6 8 4 4 11 7 10 4 9 10 7 7 7 5 4 6 6 4 6 4 11 13 10 6 17 26 12 14 51 45 29 24 23 56 71 30 7 21 26 23 13 8 2 5 9 9 6 7 8 4 4 3 4 3 2 6 6 4 2 2 5 4 4 4 6 6 3 5 11 7 11 8 7 6 10 23 25 16 14 33 19 12 10 10 8 3 3 6 6 2 4 15 33 76 42 3 7 4 7 16 57 85 14 3 7 7 3 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 1 2 2 1 1 1 2 1 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 3 2 2 2 2 3 3 3 2 3 3 4 3 4 3 4 3 4 7 3 4 7 5 4 4 3 4 3 5 7 7 6 6 12 8 22 31 71 69 95 71 28 28 23 16 6 6 8 8 23 58 52 45 22 29 34 24 38 14 19 58 100 19 15 4 6 7 7 5 8 10 8 2 5 8 3 2 3 5 3 1 2 4 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 1 1 2 2 0 1 2 1 0 1 2 1 0; 1HNMR: 97 97 s 1H | 79 78 t 1H J 9 | 61 60 s 2H | 42 42 d 2H J 7 | 39 39 t 3H J 46 | 37 36 d 6H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C(c2ccc(Cl)cc2)C(=O)C=C1C(F)(F)F
ir: 5 5 11 5 3 5 3 5 4 5 2 9 7 9 6 5 9 25 2 3 4 7 8 4 1 7 5 13 12 8 3 2 4 2 1 14 2 1 2 4 17 10 29 6 2 8 7 6 4 3 18 29 64 100 38 29 12 2 2 2 1 1 3 3 1 1 1 2 5 8 5 4 9 16 28 49 29 29 8 13 6 2 3 4 3 3 3 4 1 2 2 2 5 17 4 2 4 4 8 99 13 3 7 2 2 8 14 36 4 1 5 6 7 11 11 11 1 7 8 11 40 7 5 9 5 14 4 9 3 6 3 14 18 2 2 2 3 6 14 28 5 2 3 3 13 6 30 50 26 37 52 20 11 4 4 1 2 1 1 2 4 29 70 1 3 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 2 1 1 1 1 1 1 2 8 6 8 13 3 7 49 56 48 32 13 12 8 4 2 2 4 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 m 4H | 63 63 p 1H J 14 | 47 46 m 1H | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(c1cc(C)no1)c1ccccc1C=NN=C(C)c1ccc(C(F)(F)F)cc1
ir: 2 1 1 2 5 2 3 2 1 3 4 2 4 4 2 1 6 7 8 3 5 2 1 3 4 1 2 1 2 2 2 3 1 1 1 1 1 0 1 2 1 3 51 15 5 2 2 0 1 0 1 1 3 6 15 29 9 0 0 2 1 5 2 2 1 2 3 3 2 4 6 6 6 10 4 6 1 0 2 3 0 0 1 1 0 1 2 2 0 1 3 2 0 3 3 15 3 2 4 25 8 2 2 1 3 1 2 2 2 3 3 6 18 6 1 1 1 4 2 2 3 1 2 1 2 2 6 2 7 3 2 2 1 1 2 1 4 20 9 10 6 9 1 2 2 1 1 1 2 4 4 1 2 1 6 7 6 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 1 1 0 1 1 1 1 3 3 3 6 12 100 31 13 6 4 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 79 78 m 3H | 78 77 dq 2H J 14 105 | 75 74 td 1H J 16 73 | 74 73 m 2H | 65 65 d 1H J 8 | 58 58 dt 1H J 11 24 | 34 34 d 3H J 14 | 24 24 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.
O=C(c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl)N1CCC[C@H]1c1ccccc1Cl
ir: 8 4 10 2 2 2 3 3 3 4 3 6 3 3 9 6 6 6 16 7 7 4 4 8 5 2 3 2 2 1 2 1 11 6 3 13 11 8 5 2 3 4 8 29 5 9 5 4 3 2 6 4 2 6 2 4 5 2 2 2 2 1 2 3 3 2 17 46 7 4 3 1 2 3 2 12 2 2 3 8 7 3 2 1 2 2 3 2 10 6 6 4 22 52 39 24 13 14 20 39 17 4 4 2 3 7 7 6 7 16 100 27 6 4 14 7 7 10 12 9 18 9 4 4 7 13 12 15 17 72 17 9 6 10 5 3 10 3 2 2 9 7 15 6 2 2 2 5 60 2 1 4 3 0 19 1 1 1 5 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 3 4 8 4 4 2 4 4 4 7 18 10 32 66 59 9 5 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; 1HNMR: 78 77 h 3H J 18 | 74 72 m 4H | 55 55 d 2H J 8 | 50 50 ddt 1H J 17 38 57 | 38 37 m 2H | 23 22 dddd 1H J 38 49 67 120 | 22 21 m 1H | 21 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1C(C)=C(C)S/C1=C\C(=O)c1cccnc1Cl
ir: 6 4 6 5 5 5 6 6 5 5 5 5 5 5 7 7 5 5 4 5 5 4 5 7 6 7 8 5 8 9 6 10 7 6 5 5 6 6 29 16 6 7 7 6 6 6 5 5 8 10 8 10 10 12 14 14 7 10 7 7 6 7 13 10 7 7 8 9 5 4 5 6 5 5 6 7 5 8 10 9 7 5 5 5 4 5 5 5 5 4 5 4 4 4 5 5 4 5 5 5 5 5 5 4 5 4 5 5 8 6 12 7 5 5 9 12 7 12 18 11 6 5 8 6 14 100 51 13 8 9 7 6 8 8 11 6 6 6 6 8 12 5 6 12 62 31 17 5 5 5 5 6 7 12 23 14 26 8 7 12 25 43 25 0 5 9 5 2 5 7 5 2 5 6 4 3 5 6 4 3 5 6 4 3 5 5 4 3 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 4 4 4 5 4 3 4 5 4 4 4 5 4 4 4 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 5 5 7 6 5 5 6 7 5 7 16 27 10 16 31 33 14 10 6 6 5 5 6 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 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 85 85 dd 1H J 21 43 | 81 81 dd 1H J 20 79 | 74 73 dd 1H J 42 79 | 64 64 s 1H | 39 38 t 2H J 65 | 21 20 dq 6H J 10 105 | 16 16 p 2H J 66 | 14 13 h 2H J 73 | 9 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSSc1ccncc1
ir: 2 1 0 1 2 1 3 9 6 9 13 9 10 14 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 6 19 4 8 18 14 7 3 1 1 1 1 2 2 2 1 1 1 1 0 1 1 1 0 1 2 2 1 3 2 1 3 5 10 7 3 1 3 2 4 8 10 8 17 12 3 3 2 2 5 2 1 3 3 11 6 3 2 1 1 1 1 1 1 1 2 2 3 3 2 1 1 1 1 1 1 1 1 2 7 5 7 7 3 2 11 6 10 19 8 11 10 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 5 5 17 12 22 16 5 5 1 2 3 2 1 18 66 100 11 10 6 2 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 0 1 2 2 3 3 4 5 10 2 9 16 10 30 23 36 36 15 4 4 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 86 86 m 2H | 75 75 m 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CC(=O)N(Cc2ccc(C#N)cc2)N=C1c1ccc(O)c(O)c1
ir: 3 3 5 4 7 5 7 5 6 18 5 45 20 4 9 4 9 3 5 3 3 4 4 7 6 7 6 8 7 1 1 3 6 8 2 9 2 2 1 2 1 1 1 2 1 1 3 4 2 1 2 4 6 5 8 19 9 14 3 3 2 1 1 2 2 2 2 9 3 8 2 3 1 1 3 7 6 12 7 36 8 6 4 12 39 13 13 3 2 3 4 2 1 2 3 6 15 6 4 2 1 1 2 4 19 3 2 2 1 1 2 3 10 2 4 2 0 3 4 3 9 3 4 2 3 6 5 2 3 7 24 5 3 3 3 1 1 2 2 0 0 5 21 3 2 4 12 10 2 2 2 2 16 9 4 1 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 2 3 1 1 3 1 1 1 2 2 1 2 3 2 1 1 1 3 2 2 5 5 4 22 23 6 1 3 3 3 2 4 100 52 16 3 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 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 0 0 1 1 0 0 1 1 0 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: 91 90 s 1H | 77 76 m 2H | 75 74 dq 2H J 9 85 | 73 72 dd 1H J 21 87 | 71 71 d 1H J 20 | 71 70 s 1H | 69 68 d 1H J 87 | 53 52 t 2H J 10 | 31 30 ttd 1H J 16 59 72 | 29 28 dd 1H J 68 141 | 26 26 dd 1H J 68 141 | 18 17 dqd 1H J 59 70 121 | 16 14 dqd 1H J 59 70 119 | 10 9 td 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ccccc2Cc2ccccc21
ir: 4 2 0 2 7 5 2 4 6 5 4 7 7 2 0 3 4 2 5 8 10 22 26 4 5 2 1 5 9 10 5 7 15 17 7 14 41 36 70 97 100 27 27 48 27 11 8 4 3 2 2 4 3 2 3 4 3 1 2 5 3 3 2 3 2 0 3 5 4 4 4 4 2 2 5 8 4 1 3 3 1 1 4 8 7 4 4 5 6 6 9 16 12 3 4 4 2 4 4 3 2 7 10 6 2 2 9 4 3 4 8 6 1 2 4 2 0 2 3 6 4 7 5 4 1 4 5 11 25 30 5 2 1 3 4 5 6 11 8 5 2 6 35 20 8 3 4 16 17 27 31 2 14 23 29 19 24 14 5 10 34 23 10 2 2 4 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 3 1 1 3 2 1 2 3 3 1 2 4 4 2 3 4 3 2 5 9 7 10 24 38 38 21 7 6 3 3 3 4 2 1 3 3 2 2 2 3 2 4 5 5 4 8 19 32 25 41 24 13 5 2 4 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 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 92 92 s 1H | 78 78 dd 1H J 15 81 | 77 76 td 1H J 16 73 | 75 75 ddt 1H J 9 18 78 | 75 74 dd 1H J 14 80 | 74 73 ddd 1H J 18 71 81 | 73 72 m 2H | 71 70 td 1H J 13 75 | 37 37 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(Br)cc34)cn2)C1
ir: 1 2 2 6 8 5 8 2 1 0 1 4 1 1 2 2 4 1 1 3 6 1 1 1 3 3 2 1 4 5 2 2 3 10 17 15 9 6 12 12 17 13 4 6 3 2 1 1 1 1 2 4 3 3 7 10 29 9 4 5 6 3 3 2 2 1 3 2 2 2 5 3 2 0 1 1 1 2 4 3 1 2 1 1 3 4 18 6 3 3 4 5 2 3 15 5 9 4 16 12 3 1 2 2 2 2 5 2 2 27 2 1 1 1 3 2 6 1 2 3 2 2 3 3 2 3 1 1 1 3 19 3 2 1 1 2 1 1 2 3 11 34 8 2 1 3 5 2 10 11 7 32 8 4 3 14 9 3 3 9 100 8 1 1 10 6 30 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 3 3 2 7 6 9 21 8 9 4 1 2 1 1 1 1 1 1 1 0 0 1 1 1 1 1 5 2 3 10 26 35 13 6 11 2 3 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 93 92 s 1H | 84 84 d 1H J 27 | 83 82 d 1H J 20 | 79 79 d 1H J 84 | 77 77 dd 1H J 26 82 | 71 70 dd 1H J 19 85 | 67 67 d 1H J 85 | 40 39 ddd 1H J 8 49 121 | 37 36 m 2H | 35 34 ddd 1H J 51 69 135 | 31 30 ddtt 1H J 16 33 49 66 | 29 28 p 1H J 59 | 23 23 d 6H J 15 | 22 21 m 1H | 19 18 m 1H | 13 12 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2n(n1)CCCO2
ir: 1 2 0 1 1 1 1 1 2 2 2 4 1 1 0 1 1 2 3 4 8 3 100 87 54 1 0 1 1 1 1 2 1 1 2 2 3 0 0 1 1 0 1 1 1 0 0 1 1 1 2 2 2 0 1 1 1 0 1 1 1 0 1 2 3 0 1 3 2 2 1 2 3 1 6 5 12 7 10 3 1 2 3 1 1 1 1 2 6 15 10 3 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 7 4 14 3 3 4 1 3 3 3 2 3 2 2 2 2 2 2 0 1 1 5 8 2 1 1 0 1 1 0 0 1 1 1 1 1 1 5 3 2 1 0 0 1 1 0 1 1 3 2 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 3 2 1 2 4 2 4 3 2 2 1 1 1 1 5 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 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 63 63 s 1H | 43 42 m 2H | 41 41 m 2H | 23 22 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(CCCc1ccccc1)CCCc1ccccc1
ir: 0 0 1 1 0 1 2 2 2 2 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 2 11 8 4 2 1 1 0 3 4 6 44 16 5 4 1 1 1 1 1 0 0 0 0 0 1 1 1 0 1 1 1 1 0 1 1 2 1 4 7 2 1 2 2 2 1 1 1 2 4 1 1 0 1 1 2 2 2 2 10 26 7 1 2 1 1 1 1 4 4 2 1 1 1 1 0 1 2 1 0 1 1 1 1 1 1 2 2 2 2 2 2 1 2 2 1 1 0 1 1 1 1 1 1 1 2 6 1 2 1 0 1 6 10 12 9 4 4 2 1 1 1 3 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 4 3 2 1 2 2 1 1 3 9 7 12 11 33 33 12 3 1 1 3 100 68 4 1 1 1 0 0 1 1 0 0 0 1 0 0 1 0 1 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H | 73 72 m 5H | 72 71 ddt 4H J 9 17 77 | 37 36 pd 1H J 56 64 | 27 25 m 4H | 25 24 d 1H J 57 | 18 16 m 4H | 16 15 m 1H | 16 15 m 1H | 14 13 dtd 2H J 64 92 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(CCCc2ccccc2)c2cc(CO)ccc12
ir: 4 4 9 3 2 2 3 3 3 2 2 2 2 1 2 2 2 2 2 3 7 3 2 2 2 2 2 2 1 3 2 4 4 2 2 6 5 13 21 100 7 8 4 1 6 2 8 5 4 2 2 8 23 7 10 2 2 2 1 3 1 12 5 2 3 10 15 9 14 15 7 4 7 1 3 3 5 7 9 7 6 7 15 13 39 87 65 42 45 18 12 9 12 6 14 9 4 5 7 2 9 3 3 2 1 3 4 8 3 2 3 2 1 11 2 3 3 2 3 3 4 6 7 8 4 3 6 3 1 5 2 3 5 4 4 63 4 2 1 2 3 1 7 51 3 7 16 4 2 1 1 8 10 7 11 5 2 1 1 2 1 1 1 2 1 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 1 0 2 2 2 2 2 2 3 2 3 3 4 2 4 7 3 3 10 9 11 55 61 18 5 34 12 7 9 19 6 2 2 3 2 1 2 1 1 0 1 1 0 1 1 1 0 1 2 1 1 0 1 1 0 0 1 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 d 1H J 79 | 73 72 m 3H | 72 71 dtd 2H J 8 16 66 | 72 71 ddt 1H J 10 20 79 | 71 70 m 1H | 70 69 d 1H J 11 | 47 47 dt 2H J 9 57 | 41 41 td 2H J 9 59 | 27 26 tt 2H J 9 79 | 25 25 t 1H J 56 | 24 24 d 3H J 7 | 20 19 tt 2H J 58 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(COC(=O)n2ccnc2)CC1
ir: 6 2 4 5 3 3 3 8 2 2 0 1 1 1 0 0 0 1 1 1 1 0 1 1 1 10 4 1 1 2 6 5 34 5 0 1 1 1 2 1 14 4 2 1 0 0 1 0 0 1 1 0 1 0 2 8 3 5 11 22 4 15 9 6 2 5 2 2 1 3 1 1 5 1 1 2 2 0 0 0 1 2 16 2 1 1 8 10 0 1 3 22 2 3 2 2 21 2 1 3 3 9 35 13 19 10 8 12 12 12 0 3 3 6 8 6 20 8 15 14 24 21 13 5 7 7 8 14 21 24 24 4 6 3 1 1 3 2 1 1 2 14 85 4 3 3 16 16 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 1 2 4 3 6 6 8 6 13 5 3 3 5 10 9 38 100 18 12 12 56 90 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 t 1H J 17 | 74 74 dd 1H J 17 39 | 71 70 dd 1H J 17 39 | 42 41 d 2H J 44 | 38 37 ddd 2H J 58 85 123 | 34 33 ddd 2H J 58 85 122 | 22 21 pt 1H J 44 61 | 21 20 ddt 2H J 60 84 119 | 18 17 ddt 2H J 60 86 126 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)N2C(=O)CCC2CCC(=O)OCc2ccccc2)cc1
ir: 10 12 14 6 5 6 9 5 1 7 15 13 3 8 11 5 2 9 10 3 3 15 13 3 5 9 7 3 4 9 10 2 7 12 13 5 7 9 9 15 18 27 13 12 7 15 7 13 17 25 7 2 5 12 9 16 30 16 7 5 11 15 11 3 10 13 14 5 12 18 4 1 6 8 3 1 6 9 4 4 6 7 2 1 6 7 4 6 10 11 2 3 8 6 3 4 15 17 4 5 9 8 4 6 9 7 14 8 10 5 3 7 10 10 9 11 12 5 6 11 16 14 7 9 11 8 7 13 10 7 5 33 37 24 7 13 9 3 2 7 8 3 18 22 25 100 32 83 91 16 8 23 36 24 10 8 5 2 3 7 5 1 7 9 4 0 3 7 4 0 4 8 4 0 4 7 3 0 4 7 3 0 5 7 3 1 5 7 3 1 5 6 2 1 5 6 2 2 6 6 2 2 6 5 1 2 6 5 1 2 6 5 1 3 7 5 1 3 7 4 1 3 7 4 0 4 7 4 0 4 7 4 0 4 7 3 1 4 7 3 1 5 6 3 1 5 6 3 2 5 6 2 2 5 6 2 2 6 6 2 2 6 5 2 3 6 5 2 3 7 6 2 4 8 8 8 5 9 6 3 6 9 6 27 18 35 39 53 43 12 11 1 6 8 4 1 5 7 3 1 5 6 3 2 5 6 2 2 5 6 2 2 5 6 2 2 6 5 2 2 6 5 1 3 6 5 1 3 6 4 1 3 6 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 2 5 6 3 2 5 6 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 6; 1HNMR: 77 76 m 2H | 74 73 m 5H | 70 69 m 2H | 51 51 s 2H | 41 40 tt 1H J 55 62 | 38 38 s 2H | 27 26 ddd 1H J 49 68 141 | 26 25 m 2H | 24 23 dt 1H J 87 154 | 22 21 dtd 1H J 61 87 132 | 20 19 m 2H | 17 16 ddt 1H J 51 68 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc2c(-c3cccnc3)cccn12
ir: 0 13 28 27 8 15 21 10 1 14 22 11 3 13 19 9 13 21 20 10 5 15 22 10 6 16 28 14 12 19 16 9 8 30 72 33 11 18 15 4 18 27 15 4 11 32 79 29 12 22 17 5 11 20 14 12 21 24 12 1 12 22 15 21 53 27 12 6 39 25 20 16 17 21 11 6 18 20 14 12 16 17 8 7 15 16 9 9 16 15 6 7 17 14 5 14 26 16 6 11 20 16 4 9 19 13 4 11 20 13 9 30 42 18 10 13 24 15 10 17 20 11 11 46 35 14 8 14 19 35 59 16 17 9 6 15 18 10 34 39 24 10 7 24 44 14 12 19 16 6 8 30 25 9 10 60 41 9 12 19 14 5 28 23 14 5 11 18 12 3 11 19 11 4 12 19 10 4 12 18 10 4 12 17 9 5 13 17 9 5 13 16 8 6 14 15 7 7 14 15 7 7 15 14 6 8 15 14 6 8 16 13 5 9 17 12 5 9 17 12 4 10 18 11 4 10 18 11 3 11 18 10 4 12 17 10 4 12 17 9 5 13 16 9 5 13 16 8 6 13 15 8 7 14 15 7 7 15 14 7 8 15 14 7 8 16 13 6 9 17 15 7 11 17 13 6 15 18 13 5 12 20 14 12 23 27 23 100 72 43 50 38 19 19 11 10 14 16 11 6 13 16 9 7 13 15 9 7 13 14 8 8 14 14 8 8 14 13 7 8 15 13 7 9 15 13 6 9 15 12 6 10 16 12 6 10 16 11 5 10 16 11 5 11 16 10 5 11 16 10 6 12 16 10 6 12 15 9 7 12 15 9 7 13 14 8 7 13 14 8 8 14 14 8 8 14 13 7 9 14 13 7 9 15 12 7 10 15 12 6 10 15 11 6 10 16 11 6 11 16; 1HNMR: 89 88 dd 1H J 13 90 | 88 88 t 1H J 17 | 87 87 ddd 1H J 16 27 50 | 82 81 dd 1H J 13 79 | 80 80 m 1H | 74 74 dd 1H J 48 78 | 73 72 dd 1H J 81 90 | 27 27 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)[C@H]1CCN(c2cccc3nc(CN4CCC[C@H]5CCc6cccnc6[C@H]54)cn23)C1
ir: 5 11 4 6 6 9 2 3 2 12 11 1 2 2 1 3 6 23 4 1 1 4 4 3 13 5 3 3 39 13 50 13 7 11 13 6 2 3 9 38 25 21 2 2 7 5 6 2 5 4 5 4 30 5 7 11 10 5 5 11 26 6 14 15 23 24 7 20 6 6 14 15 5 3 7 9 4 5 31 27 10 4 100 39 24 14 11 54 45 17 18 28 21 21 12 5 6 17 18 5 13 9 8 16 4 9 3 8 4 5 3 1 2 17 4 39 9 7 4 7 14 51 5 6 15 4 7 5 8 6 8 11 25 30 10 14 2 9 6 9 9 34 27 20 3 1 3 21 6 1 3 2 5 7 21 20 4 5 2 3 13 3 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 2 1 5 5 9 6 4 3 4 4 4 4 10 17 18 8 5 30 91 50 61 24 22 3 3 2 1 1 1 1 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 dd 1H J 20 48 | 78 78 t 1H J 9 | 75 75 m 2H | 74 74 dd 1H J 13 80 | 72 72 dd 1H J 48 81 | 68 68 dd 1H J 14 61 | 43 43 d 1H J 50 | 41 40 m 1H | 39 39 dd 1H J 8 126 | 37 37 m 1H | 36 35 m 2H | 34 34 dddd 1H J 18 42 60 107 | 31 30 dddp 1H J 15 28 43 73 | 30 27 m 4H | 23 23 d 6H J 15 | 21 20 ddt 1H J 40 58 116 | 20 17 m 7H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(C2(Cc3ccccc3)CCN(Cc3ccccc3)C2)cc1
ir: 2 1 1 2 5 4 2 9 4 2 1 1 4 1 0 1 16 8 9 3 1 1 0 3 3 2 1 3 8 4 8 29 9 8 9 17 9 9 28 9 11 19 9 2 3 2 1 4 3 3 6 3 6 2 4 6 43 13 4 0 2 1 2 3 2 4 14 17 22 17 19 14 6 3 3 4 7 10 9 38 3 1 1 1 3 3 11 3 12 14 10 8 3 2 6 9 6 6 8 5 4 10 11 8 47 4 1 1 1 1 3 2 3 1 1 1 1 3 2 2 8 8 3 4 2 2 5 8 6 1 6 8 1 5 19 64 3 1 3 1 0 10 51 37 11 22 12 15 5 2 13 18 25 20 7 3 1 0 1 4 1 0 2 7 4 1 1 1 1 0 0 1 1 0 1 1 0 1 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 1 1 1 1 2 2 1 1 1 3 3 3 2 2 3 4 9 16 33 9 18 100 65 28 8 1 5 5 2 2 2 4 1 1 2 1 1 1 1 2 2 3 7 7 15 48 18 4 2 1 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 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 0 1; 1HNMR: 90 90 s 1H | 75 75 m 2H | 73 72 m 11H | 70 69 ddt 2H J 8 25 53 | 37 36 m 2H | 32 31 dd 1H J 8 124 | 31 31 dt 1H J 8 137 | 30 28 m 2H | 28 28 dt 1H J 9 137 | 27 27 ddd 1H J 25 45 120 | 23 22 ddd 1H J 28 46 131 | 22 21 s 2H | 20 19 ddd 1H J 27 47 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCCCCCCl)cc1
ir: 15 8 6 7 17 10 8 5 5 6 5 5 16 29 56 19 9 4 1 4 6 4 4 6 4 5 9 5 6 4 3 5 6 22 10 7 4 1 4 6 4 2 5 9 6 6 4 8 6 7 3 8 7 13 64 100 34 20 10 8 4 4 4 8 10 12 4 5 11 39 97 11 2 1 6 7 3 4 6 5 2 2 4 4 2 1 6 8 11 11 6 5 2 2 5 4 4 4 5 4 1 2 5 4 1 4 7 7 2 7 9 10 6 16 25 74 53 14 23 14 10 12 16 7 6 20 17 10 6 4 3 2 2 3 4 2 2 3 3 3 5 5 23 54 19 10 6 4 15 21 26 26 9 8 6 4 3 5 3 0 2 7 26 12 3 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 1 3 3 1 2 3 3 1 2 4 4 2 4 4 3 5 8 8 6 5 3 6 5 2 7 12 18 24 25 48 61 14 9 5 5 4 5 4 4 2 3 3 2 2 3 3 2 1 3 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 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 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; 1HNMR: 78 78 m 2H | 70 70 m 2H | 40 40 t 2H J 62 | 39 39 s 2H | 36 35 t 2H J 34 | 18 17 m 4H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2cc(CC(=O)O)cc(Cc3ccc(S(C)(=O)=O)cc3)c2c1
ir: 1 1 1 1 1 3 3 2 2 4 4 5 3 2 2 5 4 3 7 8 23 19 26 11 9 3 5 1 0 2 4 1 0 1 1 1 2 3 2 1 1 1 1 0 1 2 2 0 3 1 3 1 1 4 3 3 4 4 3 1 1 1 1 1 2 13 4 3 8 2 2 0 2 4 1 1 7 13 23 58 10 15 7 4 10 7 3 3 6 3 4 3 3 11 4 1 4 2 1 1 4 7 1 2 12 4 2 4 2 1 1 1 1 1 0 1 1 1 4 7 1 4 1 3 6 5 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 2 2 18 6 5 1 5 4 3 1 2 1 3 1 2 1 2 5 2 3 2 0 0 0 0 0 1 0 0 0 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 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 1 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 2 1 1 0 1 2 5 5 8 7 20 36 16 6 5 0 2 2 5 7 17 100 32 12 2 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 m 4H | 76 76 dq 1H J 12 22 | 75 74 ddt 3H J 9 89 162 | 70 70 td 1H J 7 17 | 43 43 q 2H J 8 | 36 35 d 2H J 9 | 33 32 s 2H | 25 25 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@]1(C#N)CCN(c2ccnc(Nc3ccc(C(N)=O)nc3)n2)C1=O
ir: 2 2 2 4 4 2 1 2 8 5 4 3 3 1 2 4 8 3 2 6 4 3 3 5 16 19 15 6 6 25 11 21 36 15 10 6 11 26 24 11 10 7 3 4 18 13 3 4 2 0 1 2 1 1 5 9 2 2 2 3 1 1 2 2 3 1 3 2 2 3 6 4 3 4 2 2 2 1 2 2 1 1 3 2 2 1 1 1 1 1 1 3 2 1 2 2 2 2 2 3 3 1 2 2 1 5 5 4 2 2 2 3 3 2 2 1 1 2 2 2 1 9 2 2 1 4 4 5 5 2 21 4 0 2 3 1 1 8 3 2 35 4 3 1 1 2 8 34 11 24 15 65 5 10 9 2 10 100 28 4 3 1 2 15 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 2 2 1 2 2 1 1 2 3 9 5 9 7 8 3 2 3 1 1 1 2 1 1 1 2 1 1 2 3 0 21 2 1 2 2 4 6 32 9 14 10 3 23 12 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 91 90 d 1H J 19 | 87 87 s 1H | 83 82 d 1H J 51 | 79 78 d 1H J 86 | 78 78 dd 1H J 18 86 | 67 67 d 1H J 51 | 65 64 s 2H | 39 38 ddd 1H J 38 56 135 | 38 37 ddd 1H J 38 57 135 | 25 24 ddd 1H J 39 57 121 | 22 21 m 2H | 20 19 dq 1H J 80 134 | 10 9 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)C1=C(C)N=C(C)N(C(=O)OCC(CC)CCCC)C1c1ccccc1Cl
ir: 3 5 3 8 7 3 7 6 3 1 1 1 2 6 5 6 5 1 1 2 2 2 0 0 1 1 0 1 2 3 0 1 1 1 0 1 3 11 7 4 12 7 14 4 6 3 1 1 1 0 1 2 3 1 1 0 0 1 2 0 0 0 0 1 1 2 1 2 3 8 2 1 2 3 3 1 3 5 3 2 1 2 1 1 0 0 1 3 3 1 3 4 3 1 1 1 0 1 1 2 3 3 1 1 4 1 2 2 1 2 3 6 12 3 6 6 6 5 20 8 12 5 2 4 2 1 2 1 3 3 4 7 2 6 2 5 7 3 1 3 9 1 1 0 1 2 16 12 8 1 1 1 8 11 1 2 100 35 6 5 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 3 2 1 2 2 3 2 2 2 3 4 6 4 8 14 12 18 37 9 1 1 4 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 1H | 74 73 m 2H | 73 72 ddd 1H J 25 68 77 | 66 66 dd 1H J 8 15 | 43 42 dd 1H J 66 113 | 42 41 t 2H J 66 | 40 40 dd 1H J 66 113 | 25 25 s 2H | 25 24 d 3H J 10 | 17 16 dq 3H J 68 137 | 16 12 m 11H | 10 8 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OCCC1OCCc2cc(C#N)ccc21
ir: 35 32 29 25 45 31 17 16 21 8 4 10 11 8 3 7 9 8 4 9 9 3 1 8 10 3 2 9 14 6 5 22 19 8 7 26 15 20 5 9 8 2 3 10 7 5 8 19 20 2 12 18 16 7 15 24 16 25 25 13 6 2 6 12 6 3 11 24 29 57 17 74 100 67 20 17 12 8 14 39 9 8 9 10 6 16 39 88 94 21 28 20 30 24 17 8 1 4 11 16 10 21 19 16 3 9 17 12 11 9 11 7 6 9 13 7 4 7 14 8 10 14 21 12 6 11 13 7 2 8 13 11 6 9 13 4 3 7 8 4 3 14 27 10 2 8 7 2 26 42 17 5 4 10 10 2 4 9 6 1 9 8 6 1 4 9 5 0 4 9 5 0 5 9 4 0 5 9 4 1 5 8 8 3 6 8 3 1 6 8 3 2 6 8 3 2 7 7 2 2 7 7 2 3 7 6 2 3 8 6 2 3 8 6 1 4 8 5 1 4 8 5 1 4 9 5 0 4 9 4 1 5 9 4 1 5 8 4 1 5 8 4 1 6 7 4 2 6 7 3 2 6 7 3 2 7 7 3 3 7 7 3 4 7 6 3 4 9 7 5 5 10 6 6 7 10 10 3 7 12 15 12 21 77 57 25 45 37 34 22 8 11 10 2 6 9 5 2 6 8 4 2 6 8 4 2 7 7 3 2 6 7 3 3 7 6 2 3 7 6 2 3 7 6 2 3 7 6 2 4 7 5 2 4 8 5 1 4 8 5 1 4 8 4 1 5 8 4 1 5 8 4 2 5 7 4 2 5 7 4 2 6 7 3 2 6 7 3 3 6 6 3 3 6 6 3 3 7 6 2 3 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 4 8 5 1; 1HNMR: 75 75 dd 1H J 22 82 | 75 75 dt 1H J 8 20 | 73 72 dd 1H J 6 83 | 49 48 m 1H | 42 42 dt 1H J 72 121 | 41 40 dt 1H J 72 121 | 40 39 ddd 1H J 39 60 112 | 39 38 ddd 1H J 40 60 112 | 30 30 s 2H | 30 28 m 2H | 24 23 dtd 1H J 55 73 137 | 21 20 dtd 1H J 55 71 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)N3CCOCC3)cc2CC1
ir: 9 8 16 16 6 6 4 3 6 5 8 12 12 5 3 6 4 8 11 20 16 11 9 3 4 3 3 4 7 6 8 3 4 3 4 5 8 3 14 37 12 20 11 11 5 5 6 7 5 7 5 5 3 1 14 19 14 5 7 4 3 7 4 5 4 12 4 9 8 16 5 3 8 8 3 4 2 1 2 2 1 2 3 2 2 2 2 2 4 5 4 6 9 5 6 13 7 5 4 4 2 5 7 5 5 15 18 7 4 5 6 12 9 7 7 7 4 6 10 7 12 12 17 37 13 9 13 12 8 8 11 7 3 7 17 18 4 3 3 2 3 2 3 5 4 6 16 57 25 23 100 73 52 22 27 33 20 3 2 3 2 0 5 89 3 4 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 1 1 1 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 2 2 3 3 2 4 4 6 8 1 3 4 4 1 9 20 20 21 38 17 38 9 4 3 4 3 2 2 2 2 2 3 2 2 3 4 6 4 5 6 6 6 11 40 23 46 9 7 4 3 2 2 2 2 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; 1HNMR: 83 82 s 1H | 74 74 dd 1H J 22 81 | 72 72 dt 1H J 9 20 | 70 70 dt 1H J 9 79 | 37 37 m 4H | 37 36 dt 5H J 66 169 | 35 35 dd 4H J 44 52 | 30 29 td 2H J 9 66 | 29 28 td 2H J 8 66 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)NCc3ccc(Cl)cc3)CCC2)cc1
ir: 3 3 5 2 2 7 13 6 4 3 3 5 6 10 6 9 24 5 3 5 2 6 7 5 9 6 3 2 5 12 4 5 14 8 16 19 14 11 11 11 5 4 2 3 1 0 3 4 8 15 8 2 8 27 44 12 17 8 5 4 2 2 2 4 9 14 5 0 4 9 3 1 2 2 2 1 2 8 6 6 24 4 2 8 12 27 4 3 10 20 19 3 7 11 5 4 3 4 9 6 6 4 4 2 2 1 1 1 2 2 1 1 1 1 1 2 1 7 8 11 8 14 21 14 40 9 3 1 1 1 1 1 2 2 1 0 1 6 4 11 7 7 18 59 25 20 17 15 10 11 10 12 8 2 1 1 1 0 1 1 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 2 2 4 9 1 2 5 18 12 21 28 26 100 23 10 6 5 3 2 2 2 1 1 1 1 1 0 0 1 0 0 1 2 3 5 14 25 21 7 3 3 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 75 75 m 2H | 75 74 t 1H J 57 | 73 73 m 3H | 73 72 m 2H | 64 63 d 1H J 170 | 45 44 dt 2H J 8 56 | 24 23 dt 2H J 76 135 | 22 21 dt 2H J 76 135 | 18 17 pd 2H J 38 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Nc3ccc4c(c3)NCC4)c(C#N)cnc2cc1OCCCc1ccncc1
ir: 3 5 4 5 4 10 5 3 3 5 10 3 4 4 28 5 10 7 7 9 9 3 3 4 5 6 3 3 4 3 3 3 4 6 3 4 5 3 4 3 2 3 2 5 4 2 2 3 5 2 10 27 4 3 4 6 4 3 2 2 2 3 7 6 4 2 6 17 12 8 8 4 15 9 5 3 2 2 3 2 2 4 3 2 2 2 3 2 4 4 3 5 7 5 19 9 3 5 7 2 2 3 2 6 4 12 4 2 4 3 3 11 8 6 2 3 3 3 6 6 4 4 6 4 3 5 3 3 3 3 7 11 4 3 4 12 27 14 2 2 2 8 2 2 7 4 3 4 4 3 5 7 18 4 16 6 8 13 39 21 15 4 4 5 70 4 2 3 2 2 2 1 2 2 2 1 2 3 1 0 2 6 49 7 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 3 2 2 2 4 6 8 9 19 27 22 15 7 5 3 3 5 2 2 2 2 2 2 3 2 2 3 6 3 3 20 11 45 18 100 12 7 5 9 9 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 85 85 s 1H | 85 85 m 2H | 84 83 s 1H | 75 74 d 2H J 57 | 72 71 dq 2H J 9 39 | 71 70 dt 1H J 9 81 | 67 67 dd 1H J 22 79 | 56 56 d 1H J 22 | 41 40 t 2H J 62 | 39 39 t 1H J 30 | 39 38 s 2H | 36 35 m 2H | 30 29 td 2H J 9 36 | 28 27 tt 2H J 9 84 | 20 19 tt 2H J 62 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC1CC1)n1ccc(-c2cc(Cl)ccc2C(F)(F)F)cc1=O
ir: 12 8 5 4 6 3 11 15 4 5 12 4 2 3 3 8 4 3 8 6 2 6 3 2 2 3 9 2 2 3 4 2 2 3 4 2 14 5 4 1 5 22 28 12 4 7 3 0 3 6 12 8 8 17 37 6 2 3 3 2 3 1 9 5 12 77 37 29 18 2 3 4 10 9 6 17 10 7 3 2 3 2 8 4 5 4 20 12 8 10 11 4 4 5 5 4 10 5 7 83 11 5 2 3 8 100 4 3 3 4 3 6 7 7 7 6 8 26 4 13 6 6 8 12 6 6 6 6 7 7 7 6 4 2 2 3 3 2 2 4 12 8 11 13 13 49 14 28 11 7 26 6 7 3 5 53 6 3 2 4 21 1 1 7 45 5 2 1 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 3 2 3 3 3 4 6 4 3 2 5 17 7 8 13 3 20 61 21 98 18 17 8 3 4 3 2 2 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 77 76 dq 1H J 25 74 | 76 76 d 1H J 24 | 76 75 dd 1H J 17 79 | 75 74 dd 1H J 25 75 | 70 70 dd 1H J 13 79 | 67 67 d 1H J 13 | 50 49 td 1H J 18 79 | 42 41 m 2H | 20 20 ddd 1H J 66 79 126 | 18 17 ddd 1H J 66 79 126 | 14 13 m 1H | 13 12 t 3H J 64 | 6 5 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Cl)ccc1-n1c(C)nnc1CCl
ir: 31 6 5 9 2 7 4 4 6 9 3 6 10 5 3 4 10 11 6 4 15 14 10 7 3 2 4 10 4 6 1 1 1 1 1 1 2 3 2 2 2 2 4 6 4 4 3 1 2 2 2 3 4 98 27 1 2 2 1 1 2 7 16 5 4 6 12 60 10 5 2 0 2 2 1 1 3 2 1 1 9 3 2 1 2 2 1 4 2 2 2 2 6 3 5 2 2 2 0 1 3 2 6 7 3 3 7 6 9 100 7 3 1 1 2 4 4 4 13 37 6 4 4 3 9 2 1 1 5 4 4 3 2 1 3 3 12 80 80 8 5 1 1 3 5 1 1 6 40 8 8 24 18 2 9 7 1 2 2 2 1 0 20 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 2 3 3 2 2 2 4 5 4 4 2 2 5 3 8 11 24 7 41 47 32 11 9 2 3 9 2 0 2 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 d 1H J 25 | 80 79 d 1H J 81 | 76 75 dd 1H J 25 81 | 49 48 s 2H | 39 39 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=Nc1nc(Br)cnc1N1CCN(C(=O)OC(C)(C)C)CC1)N(C)C
ir: 8 7 15 34 10 10 14 5 13 22 50 27 38 45 19 17 28 82 14 20 5 6 8 6 2 4 5 10 8 6 7 5 4 6 5 2 3 6 4 4 3 7 6 2 5 5 2 1 2 3 2 3 2 4 3 2 2 3 6 2 7 34 6 7 6 10 9 14 6 5 4 1 5 4 3 2 3 4 2 2 4 5 12 14 6 8 4 6 5 14 89 14 44 14 8 6 13 6 2 5 8 18 22 20 12 5 5 6 10 31 88 13 7 13 23 16 9 23 73 100 36 17 7 19 9 8 10 17 26 7 12 16 27 84 17 5 10 19 8 6 9 4 22 21 12 4 5 11 4 5 49 30 8 2 2 5 4 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 3 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 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 2 2 7 5 4 4 5 6 1 6 9 5 6 6 10 10 5 43 13 7 5 4 4 3 1 3 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 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 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; 1HNMR: 83 82 s 1H | 38 37 dd 5H J 45 59 | 37 36 dd 5H J 45 59 | 30 30 s 6H | 25 25 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(COCc2ccccc2)c2c1CC1(CC2)OCCO1
ir: 10 4 1 1 3 4 3 3 12 10 13 4 11 3 1 1 3 25 9 5 2 6 2 1 1 2 6 4 3 6 17 4 3 3 2 0 0 5 12 43 79 4 4 3 2 0 7 3 2 0 6 2 1 0 2 4 4 2 6 3 18 6 10 16 16 10 7 8 18 9 3 11 26 2 1 2 2 1 5 1 1 1 1 1 3 3 3 3 1 16 3 5 2 2 1 1 1 3 2 1 1 2 2 1 2 3 37 10 3 3 1 1 2 2 2 10 11 4 2 12 16 11 18 7 16 14 31 12 2 5 3 2 3 2 4 18 21 5 14 3 2 1 4 82 11 5 5 21 8 6 2 8 6 4 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 2 4 4 9 7 2 2 3 3 3 6 10 30 15 16 100 44 22 6 2 2 3 2 2 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6H | 54 54 s 2H | 47 46 d 2H J 8 | 40 39 m 2H | 39 38 m 2H | 29 28 s 2H | 28 27 td 2H J 14 69 | 22 22 s 2H | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-n2nccn2)c(C(=O)NC(C)Cc2ccn(-c3ccc(F)cn3)n2)c1
ir: 1 6 2 9 32 21 7 4 10 9 4 6 13 2 2 2 2 5 4 2 2 5 4 2 3 3 3 3 6 2 3 3 4 8 8 22 41 7 7 5 5 8 12 38 64 11 7 5 7 21 27 19 24 49 35 41 11 3 3 2 2 2 1 3 2 1 2 7 4 11 14 7 11 5 1 7 5 5 3 3 3 6 3 2 2 1 3 2 10 7 14 7 5 23 11 5 3 5 4 2 1 3 4 8 2 3 12 8 4 3 2 3 7 3 4 3 2 3 5 5 1 7 23 10 10 59 29 15 3 7 3 4 3 3 7 7 1 7 15 27 2 5 7 7 10 19 100 31 68 25 9 13 21 13 10 8 9 2 2 2 6 20 7 3 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 2 3 3 3 2 4 5 1 7 6 6 12 15 87 52 39 18 7 7 5 3 1 1 2 1 1 1 1 1 0 1 2 1 3 4 6 12 8 29 7 5 3 2 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 m 2H | 81 81 s 2H | 79 78 m 2H | 78 78 d 1H J 38 | 77 76 ddd 1H J 20 82 102 | 75 74 m 1H | 71 71 d 1H J 88 | 64 64 dt 1H J 9 40 | 42 41 dqt 1H J 53 64 86 | 30 30 ddd 1H J 8 53 143 | 28 27 ddd 1H J 9 53 143 | 24 24 d 3H J 9 | 13 12 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C2=CCN(C(=O)c3cc4ncc(Cl)cn4n3)C(C)C2)c1
ir: 1 1 0 6 2 1 2 2 1 2 2 2 1 2 1 1 1 6 2 22 19 26 3 3 1 1 2 2 4 9 2 4 1 2 2 1 1 0 1 1 3 1 1 1 1 2 10 15 3 3 1 8 3 3 2 1 1 1 1 1 1 1 4 8 14 15 12 7 13 3 4 2 1 17 7 9 9 3 2 5 3 4 1 0 1 1 0 1 2 10 9 7 2 3 2 3 1 2 9 6 17 16 7 0 2 1 0 1 1 1 2 1 1 1 2 5 4 3 0 7 3 29 13 13 4 3 5 6 16 17 6 4 1 2 1 1 1 2 2 2 41 2 6 4 1 1 1 0 0 2 2 7 43 8 2 6 8 2 3 2 1 40 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 2 1 2 1 1 2 2 3 5 5 23 100 11 23 14 18 21 3 3 1 2 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 91 d 1H J 13 | 84 84 d 1H J 15 | 73 73 ddd 1H J 13 22 77 | 72 72 t 1H J 78 | 72 71 m 2H | 69 68 s 1H | 61 61 tt 1H J 9 35 | 44 43 ddt 1H J 11 37 141 | 40 39 m 2H | 32 31 ddq 1H J 11 59 147 | 30 29 ddq 1H J 11 59 147 | 24 23 d 3H J 7 | 13 13 d 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ccc(C(=O)N3CCOCC3)cc2C1=Cc1[nH]cc2c1CCNC2=O
ir: 2 1 2 2 2 3 3 9 3 6 2 3 5 8 28 12 2 3 6 5 16 9 6 12 20 19 0 4 3 6 6 3 2 1 2 4 4 5 11 10 15 34 100 54 17 4 5 4 4 1 3 2 5 3 8 23 70 5 2 3 3 1 2 2 2 1 1 2 6 7 3 3 1 8 4 2 2 2 4 2 1 1 1 1 1 1 2 2 1 2 1 1 2 2 3 2 1 3 6 13 3 1 3 3 0 28 2 3 1 2 5 13 17 14 4 4 15 5 21 31 29 12 11 14 7 14 7 11 24 44 6 2 2 3 12 11 39 7 3 2 2 1 4 3 8 3 16 8 5 15 5 11 6 1 11 6 6 7 30 8 7 1 2 10 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 2 2 2 2 2 2 7 11 9 11 14 14 5 9 8 2 2 2 2 3 1 2 2 4 2 2 2 2 2 6 4 6 7 20 35 48 14 7 33 21 3 2 2 2 2 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; 1HNMR: 82 82 d 1H J 16 | 79 78 m 2H | 76 76 t 1H J 41 | 74 74 m 2H | 37 36 m 7H | 35 35 m 4H | 31 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](Cc1ccc(O)c(C(=O)O)c1)C(=O)O
ir: 0 2 2 1 0 2 3 1 3 2 3 4 2 8 5 5 9 6 18 100 52 49 6 8 7 8 3 2 3 1 0 2 2 1 1 4 4 5 3 1 2 3 0 1 1 1 1 2 1 0 2 3 8 8 51 19 5 6 15 10 3 2 1 1 1 2 2 2 2 1 1 6 5 7 9 9 14 21 15 9 15 14 12 10 6 15 14 15 2 2 2 1 2 1 3 13 8 18 5 1 1 1 3 6 4 1 1 1 1 1 1 1 24 21 1 1 1 1 4 4 6 5 4 2 1 5 10 7 4 2 4 2 6 8 9 11 14 5 2 1 2 3 13 3 11 3 9 14 20 5 3 5 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 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 2 2 3 7 16 9 3 1 5 11 11 10 6 22 41 3 5 9 18 13 17 4 2 4 3 5 49 56 26 1 4 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 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 0 1 0 0; 1HNMR: 80 79 d 2H J 66 | 78 78 dt 1H J 9 21 | 78 77 s 1H | 72 71 ddt 1H J 8 19 86 | 68 68 d 1H J 86 | 36 36 p 1H J 64 | 32 31 ddt 1H J 8 62 143 | 29 29 ddt 1H J 9 63 144
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCCNCCCNC(=O)OC(C)(C)C
ir: 1 6 17 6 6 3 1 3 7 6 3 4 2 1 1 7 3 2 3 1 2 3 4 7 5 33 61 15 46 27 6 4 2 5 5 3 1 27 8 9 3 12 19 11 14 10 6 3 4 4 2 3 2 1 6 8 4 5 7 2 3 5 2 3 2 1 1 3 4 7 7 8 5 29 19 10 5 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 2 3 3 5 5 4 6 2 2 2 2 3 5 9 7 22 29 20 19 12 4 5 7 7 5 8 16 8 13 13 8 4 3 2 8 28 11 18 25 5 5 5 11 4 5 2 2 5 15 16 11 35 73 58 30 20 100 26 14 2 2 1 0 2 3 2 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 2 1 1 5 6 6 6 4 2 1 2 1 1 2 3 5 20 32 13 3 3 2 2 1 1 1 1 1 1 2 3 4 3 3 3 2 2 3 16 46 40 31 39 16 71 82 45 11 3 6 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 54 53 t 2H J 51 | 31 31 q 5H J 53 | 27 26 q 5H J 52 | 25 24 p 1H J 50 | 18 17 p 5H J 54 | 14 14 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NCCCOC12C=CC=CC1CC2C(=O)N1CCCCC1
ir: 1 2 2 5 1 2 2 3 2 1 4 4 1 3 4 2 2 9 7 3 2 2 1 5 2 2 1 1 2 6 2 3 4 19 6 19 31 3 2 6 2 2 2 10 1 2 3 1 1 2 4 9 3 2 4 2 2 1 1 1 3 4 10 0 3 3 3 3 3 2 3 4 5 5 9 4 4 5 1 1 1 1 1 1 1 3 2 1 1 1 1 3 1 2 3 1 1 2 2 2 8 4 4 8 9 5 4 6 7 10 11 7 3 6 6 5 4 1 3 3 1 5 14 11 8 5 8 4 2 2 1 2 2 5 5 9 6 4 15 10 21 6 4 5 6 1 24 12 3 1 1 1 1 2 7 5 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 7 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 0 0 1 1 0 0 2 1 1 1 2 2 1 4 5 2 2 2 6 8 18 17 100 22 23 2 3 1 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 63 62 dq 1H J 17 93 | 61 60 m 2H | 60 59 m 1H | 37 36 dt 1H J 62 112 | 36 35 dt 1H J 62 109 | 34 33 m 5H | 32 31 dt 2H J 51 121 | 31 30 qtd 1H J 10 18 66 | 30 29 dddd 1H J 9 68 77 115 | 20 19 m 3H | 17 16 m 4H | 16 15 ttd 2H J 13 49 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2sc3cc(C(N)=O)ccc3c(=O)c2c1
ir: 1 1 1 1 1 1 2 2 0 1 3 2 4 6 3 7 3 2 4 6 3 2 2 3 2 1 1 1 1 1 1 1 2 9 5 5 4 10 16 8 2 2 1 2 8 8 3 1 1 0 1 5 8 8 2 1 2 2 1 0 1 1 1 1 1 2 1 3 1 1 1 2 2 3 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 4 3 6 1 1 2 1 1 1 2 3 1 1 1 1 0 1 1 1 1 1 2 2 3 1 1 1 1 5 11 3 2 1 2 2 2 2 1 1 1 1 1 0 1 6 0 1 1 1 3 10 2 9 2 1 3 2 3 3 11 19 4 6 100 96 1 2 3 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 2 1 1 3 3 21 14 10 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 23 24 1 0 2 1 0 0 1 1 0 0 3 4 78 31 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0; 1HNMR: 82 81 d 1H J 22 | 81 81 d 1H J 82 | 80 80 dd 1H J 20 82 | 77 77 d 1H J 77 | 77 76 d 1H J 21 | 74 74 s 3H | 74 73 m 1H | 24 24 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
ir: 1 1 1 1 1 1 1 1 0 0 0 1 1 1 2 1 1 1 0 1 2 1 1 1 0 1 1 1 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 3 1 1 1 1 0 0 0 0 0 0 1 1 1 1 1 4 2 1 1 1 1 1 1 1 1 1 1 1 1 7 2 1 1 2 3 1 1 1 1 1 1 2 5 2 1 1 1 1 1 1 2 1 1 0 0 1 1 1 1 3 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 0 0 0 0 0 1 2 4 2 1 0 1 1 0 0 0 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 5 2 2 5 3 1 0 1 0 0 5 100 21 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 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; 1HNMR: 73 73 s 1H | 70 70 d 1H J 7 | 66 66 d 1H J 9 | 29 28 m 2H | 28 27 dddd 1H J 8 52 79 141 | 26 25 m 1H | 25 24 dddd 1H J 17 68 85 149 | 23 22 m 1H | 22 21 dddd 1H J 37 67 93 134 | 19 17 m 5H | 15 12 m 9H | 11 10 dddd 1H J 57 68 86 130 | 10 9 s 2H | 9 8 td 3H J 15 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c2n(c3c(C(C)Cl)nn(Cc4ccc(F)cc4)c(=O)c13)CCN(C)C2=O
ir: 12 18 11 7 0 4 7 10 1 9 10 11 3 5 13 5 6 10 6 3 8 6 10 3 3 5 8 3 13 12 10 7 2 5 9 3 4 11 5 4 4 10 5 3 16 17 4 1 4 8 5 7 5 33 18 40 7 9 9 11 8 9 8 4 16 10 4 3 10 12 7 3 6 8 4 3 5 5 3 3 4 5 2 1 4 7 4 3 7 5 8 11 5 10 3 3 11 35 6 4 5 5 3 3 4 7 2 3 7 7 2 67 14 7 3 17 15 5 5 8 8 9 16 13 26 12 2 7 8 6 1 4 7 11 2 5 5 2 6 14 4 2 2 10 17 3 8 36 10 4 1 30 11 5 28 8 3 3 3 2 3 63 2 6 3 0 3 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 7 5 2 3 5 5 2 4 6 5 2 5 7 4 9 16 20 16 100 10 10 4 4 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4; 1HNMR: 74 73 ddt 2H J 8 35 81 | 71 71 m 2H | 52 52 q 2H J 6 | 52 51 q 1H J 57 | 45 44 m 2H | 39 39 s 3H | 38 37 m 2H | 31 31 s 3H | 17 16 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNCCC(c1ccccc1)c1ccccc1
ir: 1 0 1 1 1 1 1 5 4 1 1 2 2 2 4 2 1 1 0 1 1 1 0 1 1 1 1 1 6 6 5 8 69 49 3 6 3 3 9 19 38 26 63 8 7 34 28 11 14 26 14 0 2 3 1 4 6 5 4 7 45 7 4 3 3 3 4 19 35 12 6 3 5 7 4 11 4 4 2 4 4 2 1 1 1 1 1 1 2 5 8 10 5 2 2 1 6 6 4 2 2 2 2 1 2 2 3 8 17 51 22 17 32 19 12 9 3 6 6 6 4 2 3 3 2 2 3 1 7 5 2 2 2 10 17 44 53 11 3 5 5 4 18 17 21 5 19 4 3 1 0 4 38 6 3 2 1 0 1 2 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 2 4 2 2 3 4 1 4 6 6 9 19 58 18 81 50 14 14 4 3 5 4 2 2 1 2 3 1 2 3 3 1 5 61 100 35 16 3 0 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 d 8H J 49 | 72 72 m 2H | 39 38 m 1H | 28 28 td 2H J 44 55 | 28 27 q 2H J 50 | 20 20 dt 2H J 55 68 | 20 19 p 1H J 46 | 15 14 qt 2H J 51 73 | 9 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@H](NC(=O)OCc1ccccc1)c1nc(-c2ccccc2OC)cn1CC(=O)OCC
ir: 3 4 5 4 4 4 9 3 13 26 15 6 4 3 2 2 4 3 3 2 2 2 3 3 3 8 3 1 3 4 6 4 2 5 4 2 3 4 8 39 19 19 13 50 8 3 4 3 2 3 3 5 7 3 2 3 1 1 4 2 3 4 4 8 3 9 12 1 4 8 7 2 3 9 5 14 7 3 11 1 4 3 3 3 4 8 3 6 6 35 4 2 2 2 2 2 2 7 10 7 3 5 6 3 7 7 9 10 39 21 21 12 9 13 12 16 20 30 12 14 13 19 9 8 14 10 5 6 18 4 5 6 4 9 10 19 27 3 3 20 8 11 56 32 11 36 8 7 4 19 4 0 3 4 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 3 7 8 6 5 15 12 11 4 6 9 6 10 8 39 57 36 22 75 100 30 25 5 8 13 8 2 3 5 2 2 4 2 2 1 1 1 1 2 5 2 10 14 48 4 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; 1HNMR: 77 76 dd 1H J 13 86 | 75 75 t 1H J 9 | 74 73 td 1H J 13 76 | 74 73 m 5H | 72 71 ddd 1H J 13 75 88 | 69 69 dd 1H J 12 77 | 59 59 d 1H J 86 | 51 50 s 2H | 48 47 dd 2H J 9 46 | 47 46 dt 1H J 57 86 | 43 42 q 2H J 65 | 39 39 s 2H | 22 21 m 1H | 19 18 m 1H | 15 14 m 1H | 14 13 m 3H | 13 12 t 3H J 66 | 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)CC(=O)C1CCC(c2ccccc2)CC1
ir: 7 3 3 3 2 3 4 3 2 3 2 2 4 4 6 7 4 7 9 7 13 7 17 8 2 2 1 2 4 4 13 10 15 21 8 15 8 6 6 5 35 64 10 2 3 3 4 2 3 2 7 7 6 6 4 4 3 1 4 2 2 2 2 6 4 3 2 9 5 21 6 4 11 5 13 11 7 4 16 8 2 2 2 2 2 2 2 2 2 2 9 5 1 3 10 3 2 10 8 19 8 7 3 5 4 6 16 28 10 11 20 14 39 8 6 12 9 12 8 27 24 16 29 25 26 23 10 4 13 10 8 8 7 8 10 100 31 20 3 13 11 62 76 39 74 73 11 13 8 2 3 5 16 2 2 3 2 0 1 4 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 2 1 2 2 2 1 2 3 4 2 4 10 7 21 9 8 5 7 8 17 10 14 22 27 21 40 63 16 12 4 3 4 3 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 2H | 73 72 m 3H | 42 41 q 2H J 66 | 34 34 s 2H | 27 26 m 1H | 25 24 p 1H J 60 | 20 19 m 4H | 17 16 m 4H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Nc1ccc2cc(OC(C)=O)ccc2c1Cl
ir: 4 12 9 6 3 2 1 1 2 1 1 1 1 1 2 9 3 2 1 1 1 3 8 5 8 28 10 25 7 4 2 7 3 6 6 36 52 16 10 8 5 2 3 1 2 1 1 1 1 1 1 2 2 5 13 41 8 29 2 1 1 2 2 2 4 4 3 4 6 31 13 0 4 3 7 7 3 3 1 1 1 1 0 1 1 1 1 1 1 1 3 2 2 3 2 10 11 2 1 1 1 2 11 2 4 10 2 1 6 2 0 12 3 7 14 20 5 4 4 2 4 3 7 10 17 8 5 2 2 2 1 1 2 1 3 17 12 2 2 1 2 2 3 2 56 18 13 7 32 2 20 13 6 7 55 5 3 12 52 5 3 3 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 2 2 2 1 1 1 1 1 1 2 5 3 2 2 11 10 2 12 30 100 9 4 2 2 1 2 1 1 2 1 1 2 1 2 1 1 1 6 2 1 3 6 9 69 14 2 2 2 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 86 | 77 77 dd 1H J 22 84 | 76 75 m 1H | 75 75 d 1H J 84 | 73 73 s 1H | 73 72 dd 1H J 24 86 | 42 42 q 2H J 63 | 23 23 s 3H | 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.
Cc1nc(C(F)(F)F)ccc1C(=O)C1=C(Cl)C(C)(C)C(=O)C(C)(C)C1=O
ir: 6 6 4 5 5 5 3 2 4 8 4 2 4 3 2 3 2 6 3 3 2 3 5 2 7 4 3 3 2 2 5 8 4 6 3 4 9 4 5 10 33 9 4 4 3 3 3 15 3 18 10 3 25 7 23 15 7 5 3 2 3 7 8 6 3 20 4 5 16 10 5 4 5 18 5 41 6 4 5 2 3 3 2 3 3 3 4 5 6 12 4 5 18 14 8 6 2 4 37 1 24 2 3 3 4 2 2 3 10 4 2 7 3 13 57 4 8 7 5 7 6 16 23 8 4 9 4 3 3 7 15 9 6 4 3 3 9 31 9 25 2 3 23 3 0 100 16 8 5 3 9 38 31 3 16 10 3 1 4 59 3 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 5 7 4 3 2 2 3 4 3 2 4 7 7 14 35 14 8 39 16 7 3 4 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 d 1H J 109 | 78 78 dq 1H J 22 110 | 26 26 s 3H | 14 14 s 6H | 14 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)c1nc(Br)c2cc(Oc3ccc(C)cc3)ccc2c1O
ir: 1 1 2 3 10 1 3 5 10 5 7 8 3 2 2 2 5 5 0 3 4 2 6 7 4 10 3 4 9 7 15 56 29 5 34 50 48 13 5 3 4 3 2 2 2 1 1 3 1 3 3 3 4 20 12 4 21 18 10 5 2 1 1 2 2 0 3 7 23 6 1 1 1 1 1 0 1 0 1 3 9 7 2 1 2 2 5 5 28 5 3 4 9 27 4 1 1 3 2 2 1 8 7 17 18 6 2 5 17 11 19 13 11 4 5 6 4 24 24 7 1 1 1 5 4 4 16 12 8 5 0 1 1 0 1 0 1 2 7 21 3 1 0 4 18 2 2 14 24 5 2 4 20 3 1 2 3 3 7 0 0 1 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 2 2 2 1 1 1 2 2 3 4 3 10 10 23 83 30 26 100 68 25 7 5 4 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 82 | 73 72 d 1H J 27 | 72 71 dq 2H J 8 85 | 69 69 dd 1H J 27 82 | 69 68 m 2H | 44 43 t 2H J 64 | 23 23 d 3H J 9 | 18 17 p 2H J 67 | 14 13 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C(=O)O)n1ccnc1C(C)C
ir: 3 25 3 7 10 4 3 9 9 5 18 16 7 3 3 3 1 11 4 3 4 4 10 3 3 1 1 2 2 2 2 2 2 2 2 2 2 3 14 46 5 5 5 4 3 2 2 2 2 3 3 2 2 8 10 5 7 5 12 15 10 3 3 2 6 12 82 0 18 15 7 9 3 6 7 11 13 7 12 35 5 8 11 23 42 17 8 4 9 5 8 17 4 6 10 15 11 6 5 8 15 8 5 7 23 34 32 30 12 8 3 5 4 17 22 25 18 39 39 23 33 12 14 17 9 13 12 8 14 12 10 13 12 2 2 3 2 2 2 2 3 3 11 8 0 3 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 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 3 2 2 2 3 1 1 2 2 2 2 4 4 16 19 5 7 4 9 6 5 6 6 14 28 37 36 100 76 30 24 1 35 21 34 12 4 3 3 4 6 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 71 70 d 1H J 46 | 70 70 dd 1H J 7 46 | 48 48 ddtd 1H J 10 17 34 43 | 32 31 hept 1H J 64 | 22 21 m 1H | 19 18 m 1H | 13 13 dd 6H J 64 104 | 10 10 td 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(c1ccc(Cl)cc1)N(C(=O)CC(C)=O)c1cc(Cl)c(=O)n(C)c1
ir: 9 11 16 7 3 4 5 8 19 14 11 4 1 4 6 5 2 4 3 2 1 5 3 3 3 4 3 2 1 3 3 0 2 5 8 2 2 8 6 0 4 6 2 4 20 21 12 5 2 5 7 8 13 12 13 6 10 7 3 1 3 5 2 4 9 6 6 7 4 18 7 2 7 7 9 3 5 4 1 1 2 5 9 3 4 3 4 4 3 6 2 9 7 11 14 4 3 5 2 2 2 7 3 4 3 4 2 7 10 7 4 4 5 2 1 3 13 4 3 3 5 7 1 8 18 11 1 16 8 13 5 8 6 7 3 17 17 7 2 4 5 7 40 8 34 6 12 19 25 100 5 1 4 3 2 3 6 2 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 1 1 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 2 1 0 1 2 1 0 1 1 1 0 1 1 0 1 2 1 0 1 2 2 1 1 2 4 0 1 3 4 5 3 3 3 3 3 5 5 16 27 22 27 28 13 11 15 4 8 7 2 1 2 3 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 74 73 m 4H | 72 72 d 1H J 13 | 71 71 p 1H J 11 | 59 59 t 1H J 7 | 43 41 m 2H | 37 36 m 2H | 34 34 d 3H J 11 | 23 23 s 2H | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCC(c1ccc(F)cc1)c1ccc(F)cc1
ir: 1 1 1 3 1 1 1 2 1 1 2 2 5 11 5 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 0 2 3 2 2 2 1 1 1 1 5 2 1 1 1 1 2 2 4 10 9 8 6 13 62 49 39 14 11 6 6 5 2 1 1 1 1 0 3 15 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 3 3 4 6 2 1 1 1 1 4 4 10 10 9 2 3 4 2 1 1 1 0 0 1 1 1 2 2 1 1 1 2 1 2 2 3 3 2 3 3 3 2 4 4 2 4 4 2 1 1 1 1 1 1 1 1 2 2 1 2 4 8 24 46 9 7 2 11 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 1 0 0 1 1 1 0 14 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 4 1 1 1 1 3 2 2 2 13 24 25 100 22 6 5 4 4 4 3 2 1 1 1 1 1 0 1 0 0 0 1 0 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 71 71 m 4H | 44 43 tt 1H J 8 54 | 29 29 d 2H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(O)c2c(c1C(=O)NCc1ccc(C)c(F)c1F)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C
ir: 2 2 2 3 3 4 3 3 4 2 2 5 3 4 4 4 3 5 6 15 20 39 7 6 12 8 9 7 15 22 12 8 5 4 5 9 12 3 7 3 5 3 2 4 5 16 17 12 19 6 4 20 10 12 5 3 6 2 2 3 2 0 7 3 4 9 7 23 15 4 8 11 17 5 3 3 4 6 13 7 43 11 7 7 16 7 4 4 3 2 6 22 11 5 3 3 3 3 5 9 4 9 13 6 3 2 6 5 2 3 1 1 1 1 2 1 2 3 5 10 4 4 2 5 3 5 2 3 7 3 2 2 2 9 2 4 24 7 12 5 7 13 9 5 6 5 21 8 4 5 3 11 4 0 10 7 6 2 27 33 4 32 2 0 1 2 2 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 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 2 1 2 2 1 2 3 2 2 1 2 2 2 1 1 2 2 1 5 12 7 8 17 26 15 14 13 25 100 13 5 78 39 5 2 2 2 2 2 1 2 2 2 4 2 3 12 16 19 21 6 2 2 2 2 1 1 2 1 1 1 2 1 1 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 96 96 s 1H | 82 81 t 1H J 67 | 72 71 ddt 1H J 9 48 86 | 71 70 ddq 1H J 11 47 85 | 62 62 s 1H | 60 60 s 1H | 47 47 ddd 2H J 9 37 67 | 39 39 s 3H | 27 26 s 3H | 23 23 dd 4H J 11 46 | 17 17 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)CCC(C(=O)OC)c1cn(C(=O)OC)c2ccccc12
ir: 12 9 4 9 9 15 11 6 1 10 17 4 2 2 3 2 3 7 16 2 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 2 2 1 1 5 3 21 36 41 5 3 2 1 2 1 1 0 2 1 1 1 1 1 4 2 1 5 2 2 4 22 21 4 3 2 3 1 1 1 2 6 3 7 8 2 3 2 0 0 2 1 1 1 1 1 5 19 2 3 1 2 5 10 4 4 3 2 2 5 6 12 6 3 4 5 6 7 15 12 5 2 2 4 7 16 8 10 19 100 74 15 9 6 43 5 26 4 6 2 2 2 2 2 8 3 1 2 5 22 47 4 1 3 3 2 88 14 24 3 2 5 3 1 2 7 1 12 2 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 4 1 1 3 3 4 2 4 3 2 4 8 10 5 22 6 17 30 36 10 16 12 10 3 1 2 1 1 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 80 m 1H | 80 79 m 1H | 77 76 t 1H J 6 | 76 75 ddd 1H J 13 71 84 | 72 71 td 1H J 9 72 | 41 41 s 3H | 39 38 m 1H | 37 37 s 3H | 21 20 dtd 1H J 70 86 135 | 18 17 dtd 1H J 70 86 136 | 15 14 m 2H | 14 13 m 1H | 13 11 m 2H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=CC(=C(C#N)c2ccc(Cl)cc2)C(Cl)=CC1=NO
ir: 8 6 4 12 16 13 14 9 19 26 7 6 6 11 16 6 6 4 3 4 5 3 3 4 4 4 6 7 4 3 4 5 6 14 31 11 8 3 4 5 8 9 6 8 9 7 5 5 4 4 4 8 12 64 24 11 6 1 5 7 7 5 4 5 3 2 4 5 7 5 10 8 5 3 21 28 17 11 23 19 9 7 5 5 12 9 7 7 3 3 4 4 3 4 7 6 1 3 13 18 100 9 0 3 6 4 2 7 6 3 3 5 4 3 3 3 4 3 3 6 4 5 6 7 4 5 8 3 3 3 3 3 3 4 5 7 7 4 4 4 4 3 3 4 7 16 5 6 12 26 6 17 16 4 5 4 5 6 15 15 5 12 4 3 3 4 4 3 4 5 3 3 3 4 3 3 3 4 3 3 3 7 11 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 4 5 4 3 4 4 3 3 3 4 4 4 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 4 4 3 3 3 3 4 3 4 4 4 5 5 7 8 5 35 20 35 18 10 11 5 7 6 61 27 5 4 4 3 2 4 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3; 1HNMR: 76 76 m 3H | 75 74 m 2H | 71 71 s 1H | 67 67 s 1H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1
ir: 1 1 4 1 2 2 4 6 6 3 3 9 3 8 15 3 4 3 1 4 4 18 71 57 11 4 3 3 1 2 3 3 3 8 6 1 2 3 2 1 2 3 16 2 2 3 6 28 17 2 2 4 1 1 14 3 1 2 2 1 6 5 3 2 2 3 4 3 7 7 2 6 7 7 4 7 5 32 34 4 8 12 7 8 8 8 30 4 14 37 13 2 4 9 2 3 4 10 3 3 4 4 3 2 18 4 5 6 2 2 1 3 1 3 2 12 4 2 0 1 1 1 1 3 3 1 1 2 17 4 3 2 4 2 4 15 2 2 2 17 16 3 40 2 1 1 3 4 8 17 2 1 1 13 3 42 5 13 2 3 3 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 2 2 3 2 6 10 14 19 39 8 14 2 2 2 5 100 30 97 20 2 1 2 1 0 1 2 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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: 79 79 s 1H | 78 77 m 2H | 77 76 dt 1H J 9 86 | 76 75 td 1H J 7 21 | 75 75 ddd 1H J 15 66 84 | 74 74 m 1H | 74 73 m 2H | 73 72 dt 1H J 12 85 | 69 68 dd 1H J 18 70 | 43 42 dp 1H J 56 63 | 42 41 dd 1H J 57 117 | 39 39 dd 1H J 57 117 | 36 35 d 1H J 64 | 30 29 ddd 2H J 53 80 121 | 29 29 dd 1H J 56 120 | 28 27 qd 1H J 45 53 | 27 26 dd 1H J 57 121 | 26 25 ddd 2H J 51 79 119 | 21 20 ddt 2H J 54 81 132 | 18 17 ddt 2H J 54 81 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCN(C(=O)c2cccc(Br)c2)[C@@H](C)Cc2ccccc2)cc1OC
ir: 2 6 3 1 6 2 7 4 1 1 3 1 3 2 5 1 1 2 3 2 4 3 5 3 2 3 4 1 5 2 5 7 21 12 3 6 6 30 49 87 13 13 5 4 5 4 10 30 6 3 1 1 3 23 8 4 2 1 3 3 1 4 4 6 4 8 6 6 12 20 24 5 4 6 3 4 9 10 5 4 1 2 1 1 4 4 3 4 19 17 16 7 11 3 2 2 2 4 1 5 12 5 2 3 2 3 2 3 4 3 1 2 1 2 2 2 7 7 6 12 10 8 6 24 8 13 3 15 6 4 7 8 3 6 8 27 7 12 10 12 14 4 5 24 11 6 82 10 6 11 28 18 6 11 8 3 2 1 1 2 3 0 5 2 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 2 2 2 4 3 3 10 19 15 22 72 100 53 35 6 4 7 6 3 1 3 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 80 79 t 1H J 21 | 77 77 dddd 2H J 12 22 35 82 | 75 74 t 1H J 82 | 73 73 m 2H | 73 72 m 1H | 72 71 m 2H | 68 67 d 1H J 83 | 67 66 m 2H | 40 39 h 1H J 74 | 39 38 d 6H J 22 | 37 36 dt 1H J 60 123 | 36 35 dt 1H J 61 125 | 31 29 m 3H | 28 28 ddt 1H J 9 75 128 | 13 12 d 3H J 73
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(Cc1sccc1F)C(=O)O
ir: 4 4 4 4 5 4 4 5 4 5 4 4 4 5 6 4 4 5 4 5 5 5 18 5 4 5 4 4 4 5 11 9 5 4 4 4 4 4 4 4 4 4 4 5 7 4 5 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 4 4 4 5 5 5 6 5 4 4 4 4 4 4 4 4 5 4 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 5 5 4 4 4 5 4 4 4 4 5 5 5 5 5 5 4 4 4 4 4 4 5 5 6 5 5 4 4 4 4 4 4 5 4 6 9 6 10 5 4 5 9 9 5 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 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 5 5 5 4 5 5 5 4 5 6 5 3 5 6 4 0 100 15 6 7 4 3 5 5 4 4 5 5 4 4 5 6 7 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 97 97 s 1H | 76 76 d 1H J 77 | 72 71 dd 1H J 49 64 | 66 65 dd 1H J 64 103 | 47 46 dt 1H J 70 77 | 34 33 ddd 1H J 42 70 157 | 31 30 ddd 1H J 42 70 157 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1
ir: 6 11 13 3 3 1 2 5 17 15 20 14 12 7 7 2 3 12 2 3 3 5 4 4 3 2 4 6 7 23 7 22 16 5 2 10 6 9 9 11 28 52 20 21 39 6 15 7 18 31 9 0 5 22 47 17 9 3 6 2 5 6 8 17 13 5 2 16 24 11 2 2 2 1 5 10 4 14 18 5 3 2 2 9 40 22 43 5 2 1 2 3 3 7 3 11 12 8 7 5 4 5 3 5 16 14 13 13 13 7 2 1 2 2 2 3 3 4 5 19 83 12 13 9 4 3 7 3 1 3 4 1 1 4 26 45 10 3 2 4 7 8 26 11 3 96 22 62 14 3 5 8 16 18 23 2 2 5 8 3 2 67 3 5 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 2 1 1 1 2 1 0 1 2 1 1 3 4 4 3 6 14 26 98 41 16 8 5 4 1 3 3 1 0 1 2 2 1 2 2 1 3 4 3 4 7 23 36 31 46 39 100 24 8 4 2 1 1 2 2 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 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 1 0 1 1 1 0; 1HNMR: 90 89 s 1H | 80 79 tt 1H J 13 74 | 77 77 m 5H | 76 75 m 2H | 74 74 m 2H | 73 73 m 2H | 73 72 m 1H | 72 71 tt 1H J 13 69 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccc(-c2nnc(-c3cccc4c3CCC[C@H]4NC(=O)CCN(C)C)s2)cc1C#N
ir: 5 5 3 2 6 5 4 2 4 2 6 4 1 2 5 5 3 8 12 1 4 0 1 1 1 2 3 2 1 0 3 2 5 5 2 16 8 4 5 12 27 14 8 18 11 30 39 45 8 13 5 0 8 11 23 19 3 3 1 0 4 2 1 9 3 4 10 16 6 16 16 3 2 1 2 2 1 7 8 9 22 5 2 2 4 4 34 21 10 6 21 15 5 6 6 2 2 4 7 7 5 2 2 0 2 3 2 3 4 6 5 8 7 4 7 3 2 9 11 5 6 4 6 3 7 8 2 3 3 6 3 5 2 2 1 1 4 8 8 4 35 6 19 27 100 43 44 30 40 8 12 3 37 4 1 2 1 25 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 4 1 1 4 3 5 5 7 11 20 11 14 72 23 5 3 2 1 0 1 1 0 0 0 0 1 1 2 2 1 3 3 13 12 17 12 15 44 18 8 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; 1HNMR: 82 81 d 1H J 22 | 80 79 dd 1H J 21 85 | 77 77 dd 1H J 13 82 | 74 73 t 1H J 82 | 73 73 m 1H | 72 72 d 1H J 84 | 69 69 d 1H J 92 | 48 47 m 1H | 47 46 hept 1H J 57 | 33 32 ddd 1H J 54 80 160 | 29 28 ddd 1H J 54 80 161 | 29 28 t 2H J 57 | 25 23 q 2H J 57 | 23 23 s 5H | 21 17 m 4H | 14 13 d 6H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)c(F)c(-c2ncc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3n2)c1F
ir: 6 5 5 9 8 6 7 7 8 7 5 7 6 6 11 9 5 4 4 4 6 4 5 3 4 6 5 8 4 17 6 4 3 6 7 19 12 53 21 17 8 10 6 8 11 25 12 7 5 4 4 6 5 10 51 59 35 8 13 7 6 7 4 4 6 10 7 14 16 3 9 8 6 5 6 9 4 3 5 6 33 6 8 12 7 12 8 4 3 11 5 4 6 4 4 4 9 14 12 16 8 18 5 5 16 27 5 4 3 4 4 5 4 4 4 3 4 5 15 13 11 5 11 7 5 7 6 22 4 5 6 4 3 7 8 6 7 7 8 5 54 30 8 4 4 14 11 100 9 3 9 23 10 13 11 21 5 4 4 8 18 15 16 25 7 0 3 5 4 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 3 4 4 4 5 9 6 9 17 16 7 5 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 5 4 6 24 25 12 10 13 9 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 89 89 d 1H J 19 | 89 88 s 1H | 82 82 dd 1H J 19 80 | 67 66 m 2H | 39 39 s 5H | 37 36 m 5H | 29 29 s 3H | 25 24 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(Oc2ccc3[nH]c(C)cc3c2)NC=Nc2cc(OC[C@H](O)CN3CCCC3)ccc21
ir: 22 14 21 10 33 9 25 16 7 7 7 18 14 10 15 16 19 11 11 12 14 12 30 10 6 6 12 18 10 9 7 10 11 10 16 6 6 7 4 4 6 5 5 4 6 16 13 15 8 5 4 5 13 44 25 17 6 4 5 7 6 6 4 7 11 9 6 16 37 9 8 22 9 10 5 4 4 6 9 18 6 5 7 6 7 7 13 21 24 54 22 13 9 15 8 10 0 20 12 16 19 9 15 38 15 10 8 11 12 7 8 5 6 6 14 4 5 4 4 5 11 11 5 8 5 10 4 10 14 5 8 16 26 23 43 54 39 15 19 8 8 5 5 24 26 4 4 5 4 9 7 6 5 40 30 12 11 36 13 5 3 8 100 11 5 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 4 4 4 4 4 5 6 6 6 7 6 6 4 16 13 18 50 65 21 12 9 7 5 71 55 9 4 4 4 3 4 4 4 5 4 8 18 12 16 95 41 34 39 18 41 20 7 9 5 4 4 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 79 d 1H J 66 | 77 77 d 1H J 76 | 76 76 m 2H | 72 71 d 1H J 64 | 71 71 t 1H J 23 | 70 70 dd 1H J 24 65 | 69 68 dd 1H J 21 76 | 65 65 d 1H J 22 | 62 61 m 1H | 42 41 m 2H | 39 39 dd 1H J 58 118 | 36 35 d 1H J 62 | 34 34 s 2H | 29 28 m 5H | 27 26 dd 1H J 54 119 | 24 24 s 2H | 18 17 h 4H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2ccccc2S(=O)(=O)Cl)cc1
ir: 6 6 6 5 7 3 0 6 19 23 49 20 5 4 4 13 7 4 10 9 28 7 2 4 4 2 2 4 4 2 3 4 5 3 4 6 4 3 3 6 4 7 20 46 7 0 2 6 4 1 3 8 10 16 42 13 4 4 4 5 5 3 5 20 15 14 22 9 4 6 7 7 4 4 6 5 4 3 6 6 18 34 7 56 99 100 11 9 16 5 5 5 2 3 5 4 2 4 8 5 3 3 5 4 2 9 16 5 1 4 6 5 2 5 7 7 3 7 5 3 2 5 6 8 6 7 6 4 3 4 4 3 3 3 4 11 68 62 40 8 2 6 5 3 4 8 9 30 22 9 5 6 8 5 5 2 3 9 4 2 3 5 6 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 5 3 2 3 5 3 2 3 5 3 1 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 3 3 5 4 2 4 5 4 2 3 5 4 2 4 7 7 4 8 16 13 19 72 62 71 12 7 13 9 4 9 8 4 4 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 79 78 m 1H | 77 77 m 1H | 76 75 m 4H | 74 73 m 2H | 24 24 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)=CCC=CCC(C)C=O
ir: 2 2 5 2 1 2 2 2 3 2 1 2 2 3 2 3 0 3 2 1 2 4 1 2 1 2 5 6 2 1 2 1 1 1 1 1 2 1 2 2 1 1 1 3 4 2 3 1 2 2 6 4 5 4 4 2 5 5 2 2 8 15 11 5 8 2 4 3 5 12 37 49 37 15 21 31 23 8 7 3 2 3 2 1 4 3 2 2 2 1 0 1 2 2 0 1 2 2 1 3 4 4 1 11 20 20 7 12 10 5 4 8 8 10 5 6 3 8 2 8 13 14 5 6 4 9 4 11 21 8 4 12 4 3 4 5 2 2 2 5 4 10 8 4 3 2 3 3 6 21 15 13 10 18 6 6 4 2 1 2 1 1 1 1 1 1 0 1 1 1 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 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 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 2 1 0 1 3 5 5 2 2 2 5 2 4 6 5 17 9 12 16 19 46 100 31 9 3 8 7 10 8 10 6 3 1 1 1 1 1 1 0 1 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 97 96 dq 1H J 9 70 | 60 59 m 1H | 56 54 m 5H | 26 26 dddd 2H J 12 23 49 84 | 26 25 m 1H | 24 23 m 1H | 22 21 dddt 1H J 11 59 70 157 | 17 17 p 3H J 10 | 11 10 dd 3H J 11 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2nn3ccccc3c2C(=O)O)n1
ir: 0 2 4 2 4 5 3 2 0 3 4 10 5 5 33 27 4 6 6 1 17 100 62 11 4 2 2 2 2 4 6 3 2 6 6 2 2 8 16 11 3 2 13 19 4 7 26 11 10 5 2 3 3 6 5 1 4 3 4 2 3 3 3 5 20 4 3 4 5 5 5 2 2 2 2 3 11 64 47 5 6 2 4 2 3 4 4 8 4 2 2 2 3 4 2 5 11 2 8 3 3 2 2 2 2 2 16 27 6 2 2 2 3 2 1 2 3 2 1 2 4 3 6 13 11 2 1 3 3 3 2 8 7 3 2 3 4 2 6 19 5 5 2 12 23 11 2 3 18 40 6 5 9 2 2 10 10 4 2 2 5 2 2 2 2 1 2 2 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 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 2 3 3 4 3 2 3 3 4 9 58 22 11 32 4 4 2 2 22 50 4 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 90 90 dd 1H J 16 70 | 81 80 dd 1H J 14 92 | 79 79 dd 1H J 12 81 | 78 77 dd 1H J 75 82 | 75 75 m 1H | 75 74 dq 1H J 8 67 | 72 71 td 1H J 13 71 | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=C(OP(=O)(Oc2ccccc2)Oc2ccccc2)CSC1
ir: 3 3 17 17 56 7 4 3 1 5 7 2 5 3 4 4 2 2 2 1 3 8 10 3 2 1 1 2 5 11 31 1 4 3 4 3 2 5 12 16 39 100 29 9 3 4 2 1 4 2 1 1 1 2 1 1 4 8 42 13 80 22 38 6 8 19 6 18 8 64 4 0 3 2 1 1 3 8 78 14 26 15 11 13 8 1 1 1 1 1 1 1 2 2 1 1 0 1 1 1 0 1 1 9 10 3 0 1 2 1 2 3 1 1 0 1 1 1 7 8 4 2 1 2 1 1 0 3 1 0 0 1 2 4 10 21 7 2 13 2 3 2 5 22 10 12 5 1 1 2 3 3 17 3 2 22 2 1 1 3 4 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 3 7 2 3 1 1 2 1 6 21 7 11 64 78 13 9 5 2 2 1 0 1 2 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 72 72 m 7H | 38 38 s 2H | 38 37 s 3H | 37 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCc1cc2ncn(-c3cc(C4CC4)[nH]n3)c2cc1N[C@@H](C)c1ccc(F)cc1
ir: 5 4 3 2 1 4 7 3 6 3 12 4 4 5 17 12 13 7 10 3 6 3 9 4 7 12 22 15 22 35 11 17 32 27 18 12 4 12 6 10 25 20 6 23 7 4 5 10 3 32 64 18 7 7 14 17 4 1 2 8 2 2 2 4 3 4 12 21 32 23 11 9 5 4 6 5 7 7 7 2 3 2 6 7 4 7 4 4 3 3 2 2 4 13 13 6 8 7 6 5 27 16 15 13 3 4 19 22 1 2 3 2 0 1 3 2 3 4 7 12 11 9 9 8 11 9 11 17 8 3 3 3 5 3 4 4 4 13 6 6 6 7 12 28 49 100 13 50 51 18 14 4 11 28 10 11 13 3 9 8 4 1 2 9 12 5 4 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 2 3 1 1 1 1 2 1 1 2 2 2 4 7 4 8 11 19 56 26 7 29 12 10 14 3 3 3 3 2 2 4 2 2 2 4 5 5 3 20 20 10 48 32 43 42 23 11 5 4 2 2 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 77 77 q 1H J 7 | 73 72 m 4H | 71 70 m 2H | 65 65 d 1H J 7 | 63 62 d 1H J 79 | 47 46 m 3H | 20 20 s 3H | 19 18 pd 1H J 7 51 | 15 15 d 3H J 57 | 11 10 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cl)c1sccc1-c1ccc(OC(F)(F)F)cc1
ir: 3 3 6 6 1 1 2 3 3 3 2 1 1 1 2 2 1 2 3 2 3 41 3 2 4 2 1 2 1 3 1 1 1 1 1 2 2 5 7 27 3 3 2 1 1 4 6 5 1 4 7 4 4 10 8 1 12 4 4 2 1 1 2 2 4 17 5 20 17 11 3 2 0 1 2 0 5 20 1 2 1 3 9 1 3 9 100 6 2 2 1 1 2 3 6 2 0 1 5 3 3 2 1 0 1 0 0 0 1 1 1 2 2 2 1 1 0 1 5 1 2 5 4 1 0 1 1 1 0 1 4 2 2 1 1 1 0 2 2 4 2 1 1 1 0 0 1 0 3 1 1 1 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 6 2 2 8 4 1 2 2 1 1 1 8 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 55 | 75 74 m 2H | 74 74 d 1H J 55 | 74 74 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ncc2c(n1)CCN(C1CCC(N(C)C(=O)OC(C)(C)C)CC1)C2
ir: 5 7 5 5 8 5 7 5 8 5 6 7 9 14 17 7 5 5 5 3 1 2 5 3 4 6 2 3 2 3 3 3 4 9 13 77 58 16 13 19 8 8 10 3 3 3 3 3 4 4 3 3 2 3 3 4 5 5 3 2 2 5 4 2 5 5 7 6 6 4 5 5 3 4 4 2 3 8 7 3 3 4 7 13 3 5 6 7 6 8 5 5 5 3 3 4 8 10 8 5 13 8 4 4 5 2 4 3 5 4 3 5 9 5 8 11 11 7 9 6 6 6 11 8 8 12 7 8 28 15 26 11 12 10 6 46 34 8 8 4 3 3 3 3 7 24 34 73 100 16 76 62 7 5 3 0 2 29 10 4 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 2 4 4 6 3 5 7 3 4 4 4 4 3 5 16 36 10 5 2 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 1 1 1; 1HNMR: 82 81 d 1H J 9 | 39 38 d 2H J 9 | 33 33 s 5H | 33 32 dtdd 1H J 16 55 69 85 | 31 30 m 2H | 29 28 d 3H J 14 | 28 28 m 2H | 27 26 p 1H J 60 | 19 17 m 5H | 16 15 m 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C)S(=O)(=O)c1ccc(CC(=O)O)cc1
ir: 2 2 2 3 2 3 4 3 2 5 10 7 17 11 5 6 12 11 10 6 20 33 28 17 10 6 6 2 3 3 3 1 7 3 3 1 1 1 1 1 2 2 1 1 2 3 3 2 2 1 1 1 1 2 3 3 11 4 1 1 1 2 8 2 1 2 4 5 3 2 2 1 2 2 2 1 3 5 2 4 7 6 11 5 26 12 11 7 18 19 10 17 17 4 6 1 1 2 2 8 2 2 3 1 1 1 1 1 1 1 0 0 1 1 1 1 1 3 2 3 5 2 2 2 6 4 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 3 5 7 11 3 1 14 2 3 1 1 3 2 1 1 1 0 0 0 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 7 12 16 17 3 2 2 2 2 2 4 11 24 100 9 4 2 2 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 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; 1HNMR: 78 77 m 2H | 74 74 dt 2H J 9 94 | 36 35 d 2H J 9 | 35 34 q 2H J 87 | 28 27 s 3H | 12 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(/C=C/c2nc3ccccc3s2)cc(OC)c1OC
ir: 2 2 3 2 1 2 4 5 3 2 1 1 0 1 1 6 6 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 3 1 1 1 0 2 4 25 19 4 1 1 1 1 0 0 1 1 1 1 5 5 0 1 1 2 4 11 20 5 2 1 1 14 11 9 4 4 2 6 10 8 18 7 4 2 1 0 1 1 11 1 1 1 1 2 8 1 1 0 0 5 1 1 1 1 1 1 1 3 3 1 1 1 1 0 0 1 1 1 3 2 1 3 3 1 1 1 1 1 2 2 2 2 2 2 8 41 20 4 5 3 2 3 2 2 1 16 0 0 1 2 1 9 4 1 0 0 0 1 2 7 8 7 19 2 1 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 1 3 3 7 12 4 14 100 26 4 3 2 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 ddd 2H J 14 72 146 | 75 74 dtd 2H J 14 75 315 | 73 72 d 1H J 143 | 71 71 d 1H J 143 | 68 67 s 2H | 39 39 s 5H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(C(=O)O)n[nH]c(=O)c2c1
ir: 2 1 0 2 6 7 0 1 4 3 3 7 5 14 21 23 8 4 3 25 97 100 53 17 5 3 5 5 2 3 5 3 1 1 6 6 4 2 0 1 1 0 1 3 8 7 8 1 21 39 56 4 2 8 20 8 9 2 1 1 1 1 3 9 5 4 4 3 3 4 5 4 1 1 6 25 31 49 97 36 1 2 2 3 4 2 18 5 5 2 1 1 3 4 5 6 1 1 6 25 20 6 1 1 0 3 17 1 3 1 1 2 2 1 0 1 1 1 2 2 3 1 2 4 4 3 3 5 1 2 3 8 36 25 6 1 2 3 2 1 1 1 1 1 3 3 2 0 1 4 9 1 5 25 4 8 12 9 1 1 2 32 4 2 1 0 1 2 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 0 0 1 1 1 1 1 1 2 4 16 23 19 10 8 3 1 1 1 1 12 27 10 4 1 0 1 1 1 2 1 1 1 2 9 65 72 13 9 2 2 1 1 1 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 85 | 77 76 d 1H J 27 | 71 71 dd 1H J 27 84 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C=C2NC(=O)NC2=O)c1OCc1ccccc1
ir: 3 2 1 1 1 1 1 1 1 1 3 0 1 1 1 1 1 1 4 2 2 4 6 4 1 4 2 1 1 2 5 4 5 3 3 1 1 1 7 0 25 2 8 13 28 18 2 5 12 3 89 30 8 3 2 7 5 2 3 2 3 0 2 3 2 3 7 4 6 2 2 2 2 1 1 3 2 4 4 1 0 1 2 2 0 1 1 1 1 2 1 1 0 1 1 6 0 1 1 1 1 1 1 1 1 4 3 1 2 5 2 3 4 2 1 1 0 1 1 2 14 13 18 8 4 1 1 1 1 1 1 1 1 1 1 5 2 1 3 6 28 10 4 9 2 3 2 0 1 1 1 1 7 7 0 1 5 2 2 2 1 5 26 33 10 21 4 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 1 1 1 1 1 0 1 1 1 1 7 13 15 58 16 3 4 3 1 1 1 1 1 0 0 1 1 1 1 1 2 5 5 1 2 2 13 100 34 3 2 3 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 0 0 0 0 0 0 0 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; 1HNMR: 87 87 s 1H | 74 74 dq 2H J 10 74 | 74 73 m 2H | 73 72 m 2H | 72 72 t 1H J 78 | 72 71 s 1H | 70 70 dd 1H J 15 77 | 50 50 t 2H J 9 | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2nc(-c3ccccn3)cs2)cc1
ir: 6 4 5 3 5 3 2 5 6 2 1 4 6 5 1 4 4 2 1 3 4 2 1 4 4 1 1 4 4 5 2 4 4 2 2 5 4 2 3 7 8 3 5 4 7 10 63 11 7 7 40 11 8 14 10 14 23 20 17 9 5 1 6 14 32 3 5 7 4 8 7 10 4 2 4 5 3 6 6 4 3 3 6 7 7 16 6 4 1 2 5 9 11 4 10 4 1 2 5 4 0 6 6 3 1 2 5 3 1 10 5 3 0 3 5 3 0 3 5 7 0 3 7 4 5 7 7 3 1 4 5 2 1 5 14 11 2 6 6 10 2 4 5 3 2 4 6 29 11 10 5 6 39 5 3 2 2 5 3 1 2 5 3 1 5 7 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 3 3 6 4 16 18 100 34 25 16 13 4 3 5 5 3 2 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 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 3 1; 1HNMR: 86 86 dd 1H J 17 41 | 83 82 s 1H | 81 81 dd 1H J 14 82 | 78 77 m 3H | 73 73 ddd 1H J 15 40 71 | 72 71 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)N1C(=O)CCl
ir: 2 26 8 7 15 9 2 7 12 13 10 28 11 8 13 11 2 4 4 4 4 4 6 4 10 16 16 8 5 16 20 4 3 3 3 5 5 3 3 2 3 22 88 2 8 6 6 3 3 8 3 3 4 9 55 6 3 8 4 1 14 14 6 5 21 12 4 0 3 25 6 5 7 10 15 10 9 10 18 57 11 10 21 8 17 66 18 8 9 35 54 11 50 28 8 5 10 7 7 8 7 8 15 9 7 8 9 12 3 2 1 2 5 6 7 6 4 5 9 7 4 8 27 13 9 6 7 8 5 4 2 4 4 5 8 8 4 6 2 4 2 2 2 2 4 10 38 56 29 1 3 5 16 2 1 2 2 5 2 2 1 0 1 2 1 0 1 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 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 1 2 2 1 1 3 3 1 2 3 2 2 3 4 3 3 3 8 5 4 27 9 15 100 24 8 3 2 3 4 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 85 84 t 1H J 22 | 81 81 d 1H J 91 | 79 79 m 1H | 79 78 m 2H | 76 75 m 2H | 44 43 dddd 2H J 19 35 79 141 | 40 39 m 2H | 36 35 dd 2H J 35 114 | 33 32 dd 2H J 62 114 | 13 13 d 6H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cccnc1-c1ccc(OCCCCl)c(C#N)c1
ir: 10 14 6 8 9 4 4 5 9 14 17 8 5 4 2 7 4 3 4 3 3 2 1 3 3 5 3 5 5 4 3 3 7 11 18 25 14 14 63 100 25 25 8 4 4 4 5 4 4 5 5 9 9 7 15 22 15 3 2 4 3 10 21 12 4 0 20 22 10 16 13 12 6 1 8 9 4 2 4 10 14 13 4 4 5 18 12 6 3 2 3 3 2 2 3 2 2 2 4 5 6 5 3 2 3 17 10 5 4 3 4 8 8 23 15 9 22 16 18 6 4 7 18 11 5 3 6 7 14 20 26 8 5 3 4 1 1 5 9 9 8 7 10 7 4 3 3 11 38 22 26 23 8 11 21 15 6 21 6 2 3 4 6 1 2 3 2 1 2 3 2 0 2 3 1 0 2 3 2 1 2 3 3 3 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 3 2 4 3 2 5 4 3 3 3 6 4 2 6 16 13 16 35 10 59 14 7 7 4 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 87 87 dd 1H J 21 43 | 83 83 d 1H J 22 | 80 80 dd 1H J 22 77 | 79 79 dd 1H J 22 88 | 75 74 dd 1H J 42 77 | 72 71 d 1H J 87 | 44 43 q 2H J 64 | 42 41 t 2H J 50 | 38 37 t 2H J 38 | 22 21 tt 2H J 38 51 | 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.
Cc1ccccc1-c1cc(-c2cnc(SC(C)C)s2)cn2ccnc12
ir: 0 5 5 3 4 7 5 4 2 2 2 7 1 2 1 2 1 6 7 2 2 2 2 4 1 1 2 1 3 7 2 2 2 1 1 1 5 4 2 4 5 5 37 3 8 100 13 0 1 4 1 8 12 3 3 1 10 2 2 1 4 3 4 7 21 26 7 5 2 2 4 3 10 18 14 48 17 5 5 3 2 1 8 5 34 14 8 1 4 5 13 5 4 7 26 19 8 4 5 10 21 3 3 3 3 4 5 8 4 2 1 2 2 2 2 2 1 5 3 3 3 4 1 2 4 5 3 3 3 1 3 3 4 2 1 1 3 18 8 10 2 54 5 5 10 3 5 14 16 7 6 2 2 0 4 2 3 0 1 3 24 1 1 20 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 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 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 3 4 7 3 13 19 8 12 12 27 80 31 46 26 22 36 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 88 d 1H J 17 | 80 79 d 1H J 13 | 79 78 d 1H J 46 | 78 77 d 1H J 46 | 77 77 dd 1H J 18 79 | 75 75 s 1H | 74 73 m 4H | 38 38 p 1H J 55 | 24 24 d 2H J 7 | 14 13 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCN
ir: 2 2 2 2 1 1 2 2 3 3 2 2 3 2 4 5 2 3 3 4 3 2 2 2 2 2 2 3 3 3 2 1 1 1 1 2 2 3 2 3 5 12 6 3 2 1 5 7 16 34 35 55 9 19 17 20 10 16 6 19 30 10 13 3 13 16 28 29 14 15 20 70 88 76 100 55 18 9 10 4 8 10 11 8 5 5 1 0 3 2 2 2 5 7 2 6 18 39 6 5 4 3 2 3 2 2 1 2 4 5 15 18 12 6 2 14 14 45 24 20 12 11 9 9 21 11 11 9 7 8 20 35 90 84 29 11 13 7 6 3 2 2 2 2 2 2 3 1 2 1 1 1 1 1 1 1 4 12 11 9 3 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 2 1 1 1 1 1 1 1 1 3 5 3 4 3 5 5 5 4 8 8 6 8 14 8 53 42 45 50 38 6 2 4 3 3 3 2 3 2 2 5 5 6 30 40 20 6 6 6 11 4 31 51 7 5 4 1 0 2 2 0 0 2 1 0 0 2 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 52 51 th 1H J 13 39 | 51 50 dddq 3H J 12 24 62 78 | 33 33 dddt 2H J 10 39 61 73 | 30 29 t 2H J 62 | 22 21 tdd 1H J 12 33 60 | 21 21 m 3H | 21 20 m 6H | 20 19 tq 2H J 11 73 | 17 16 dq 6H J 12 76 | 16 16 dq 9H J 12 23
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=NN(c2ccccc2)C(=O)C1=CN
ir: 3 5 5 6 8 9 6 8 5 5 7 5 8 5 4 5 7 7 7 5 5 5 5 4 5 7 8 9 11 8 23 7 14 16 19 11 9 12 10 5 4 8 10 4 6 5 4 4 5 7 5 3 11 53 26 8 4 6 5 5 5 4 4 4 5 5 6 8 8 5 5 5 5 6 4 8 6 13 14 26 10 7 4 4 4 3 3 3 3 4 6 3 3 8 6 3 3 3 3 3 3 3 3 3 3 4 3 6 3 3 3 3 3 4 5 4 3 4 3 3 3 3 5 3 3 4 5 6 8 16 11 7 4 4 4 7 7 4 4 3 4 6 7 38 23 10 5 10 15 22 59 19 32 15 5 6 6 3 3 3 5 5 23 31 18 3 4 4 4 2 3 3 3 2 3 3 3 3 3 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 6 6 9 20 14 20 7 5 5 4 4 4 4 5 5 6 5 3 5 5 6 28 58 6 3 3 4 4 3 2 6 9 0 100 52 8 6 6 2 2 5 5 1 3 4 4 2 3 7 4 4 4 5 3 3 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 88 88 d 2H J 49 | 79 78 m 2H | 77 76 t 1H J 49 | 75 74 m 2H | 73 72 tt 1H J 13 70 | 22 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(C)CCC1(C(N)=O)c2ccccc2-c2ccccc21
ir: 1 1 1 1 1 1 2 2 1 1 2 3 5 2 0 1 1 1 0 11 2 3 3 2 4 3 6 5 10 5 4 4 2 2 2 6 7 3 3 5 9 6 43 69 3 2 2 2 1 2 8 4 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 3 10 3 1 3 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 5 9 4 1 2 1 1 3 3 2 2 3 2 1 1 1 1 3 1 4 3 2 1 1 4 17 17 7 2 1 4 7 2 1 1 1 1 7 2 1 2 4 1 1 1 2 8 2 41 100 1 6 7 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 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 4 1 4 9 8 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 24 6 32 41 5 3 1 1 1 1 2 3 1 8 45 3 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1; 1HNMR: 76 76 dd 2H J 15 67 | 75 74 m 4H | 72 71 dd 2H J 14 73 | 63 63 s 2H | 29 28 m 2H | 28 27 m 1H | 22 22 t 2H J 92 | 18 17 m 2H | 16 15 dtd 1H J 47 91 139 | 12 12 t 3H J 59 | 12 11 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(CCS(C)(=O)=O)CC1
ir: 24 27 15 36 43 6 2 5 5 9 12 16 4 4 1 2 3 2 1 6 14 3 1 1 1 0 0 1 1 4 3 2 1 1 2 6 1 1 1 1 4 7 6 5 2 0 1 1 1 0 0 1 1 0 1 4 3 16 3 2 1 1 2 3 1 2 2 7 7 33 17 2 3 3 3 6 3 2 3 10 29 3 4 10 10 36 9 100 34 4 3 6 5 3 3 3 3 4 4 4 8 11 8 12 18 17 14 6 3 2 2 4 5 12 7 5 3 4 4 14 20 15 12 14 1 1 5 6 4 6 11 8 12 10 9 7 7 4 2 3 2 2 1 1 1 1 1 1 1 1 23 6 5 2 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 4 3 3 3 1 6 8 2 2 3 3 2 9 16 18 33 8 17 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 33 33 m 5H | 32 31 t 2H J 81 | 30 30 s 3H | 29 28 t 2H J 81 | 26 26 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1F
ir: 2 9 2 5 3 4 2 3 2 2 3 2 2 4 3 4 1 3 4 7 5 8 6 3 2 3 8 11 4 4 12 4 3 9 17 13 13 14 16 52 10 5 5 2 2 3 1 3 2 1 1 2 2 9 19 34 3 5 1 1 1 1 1 2 7 15 9 5 3 1 2 4 1 2 1 1 1 2 3 6 2 2 4 6 19 100 20 5 7 3 3 2 4 8 3 1 3 8 1 6 2 2 1 4 5 2 2 2 7 10 1 1 2 2 0 2 6 9 7 13 11 6 1 4 3 2 1 3 2 1 1 1 1 1 2 2 2 1 1 7 4 3 32 4 5 23 7 7 17 12 33 96 7 5 13 14 1 2 1 2 6 5 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 6 2 9 19 15 4 5 6 3 2 2 15 5 2 2 1 1 2 2 2 1 1 2 1 2 13 10 13 30 21 8 9 6 2 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 93 92 d 1H J 33 | 83 83 d 1H J 16 | 81 81 d 1H J 17 | 76 76 dt 1H J 48 81 | 75 75 m 1H | 72 71 dd 1H J 81 102 | 64 64 m 1H | 43 43 d 1H J 49 | 30 30 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(CCCN)Cc1ccc(F)cc1
ir: 3 6 11 9 9 8 9 7 6 10 17 14 10 8 10 6 4 6 7 4 5 7 12 5 9 7 7 4 4 6 6 4 4 6 6 4 5 7 7 6 5 9 6 5 6 7 7 6 12 17 15 8 10 15 38 14 40 13 9 11 10 14 7 4 6 8 5 10 20 23 18 6 7 7 4 4 6 6 4 4 9 7 7 6 7 8 9 12 8 7 4 4 6 6 4 6 8 19 5 5 9 6 5 6 8 7 3 5 7 6 4 5 7 5 3 5 8 5 4 9 15 14 11 11 12 8 5 9 12 8 13 15 33 12 14 16 21 12 7 7 7 5 4 7 7 4 6 21 16 1 100 0 47 5 5 6 6 4 5 6 6 5 5 6 5 3 5 6 5 3 5 6 5 3 5 6 5 3 5 6 4 4 5 6 5 4 5 6 4 4 5 6 4 4 5 6 4 4 5 5 4 4 6 6 4 4 6 5 4 4 6 5 4 4 6 5 3 4 6 5 3 4 6 5 3 5 6 5 3 5 6 5 3 5 6 5 3 5 6 4 4 5 6 4 4 5 6 4 4 5 6 4 4 5 5 4 4 5 6 4 4 6 5 4 4 6 5 4 4 6 6 4 6 7 6 5 6 6 5 5 5 7 6 6 12 8 21 13 17 10 7 6 7 10 6 4 5 6 5 6 10 20 27 15 10 7 7 5 12 8 35 2 8 7 5 4 6 7 5 5 6 5 4 4 6 5 4 4 6 5 3 4 6 5 3 5 6 5 3 5 6 5 3 5 6 5 4 5 6 5 4 5 6 4 4 5 6 4 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 6 5 4 4 6 5 4 4 6 5 4 5 6 5 4 5 6; 1HNMR: 73 73 ddt 2H J 9 35 81 | 71 70 m 2H | 44 44 d 2H J 9 | 33 32 t 2H J 57 | 28 27 m 2H | 27 26 m 2H | 18 18 p 2H J 57 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1nnc2c(CO)cccc21
ir: 2 1 1 1 1 2 1 1 0 1 4 4 3 0 0 1 0 1 0 0 1 1 1 1 1 0 0 1 0 1 1 0 0 0 0 0 0 1 0 1 10 4 1 1 1 1 2 1 8 1 1 2 1 1 1 2 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 1 2 1 2 14 4 2 3 3 3 5 2 2 2 1 0 1 0 1 1 2 1 0 1 3 5 0 0 0 0 0 0 0 1 1 1 2 3 1 1 2 2 1 1 4 1 2 3 2 1 0 0 0 7 1 1 1 1 7 1 0 0 0 0 0 0 0 1 17 1 1 0 0 0 0 1 1 9 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 1 0 0 0 1 1 0 0 1 0 1 1 1 1 1 1 0 0 0 1 1 0 0 0 1 1 1 11 2 1 5 4 3 2 4 2 1 10 100 3 0 5 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 dd 1H J 13 84 | 76 75 dq 1H J 10 84 | 75 74 t 1H J 84 | 49 48 dd 2H J 9 62 | 34 34 t 1H J 61 | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(OC)C(CC(=O)O)C(C)(C)S(=O)(=O)c1ccc(C)cc1
ir: 0 1 2 1 2 4 6 6 3 4 5 5 10 3 2 6 3 4 8 9 15 44 10 7 10 8 2 2 1 1 0 1 12 1 0 1 1 0 0 1 1 1 1 1 1 0 2 2 1 1 7 3 4 39 9 2 1 2 1 0 1 3 1 0 1 15 32 4 3 4 5 2 1 2 2 1 3 8 14 5 2 19 5 43 7 3 6 3 4 1 3 2 2 7 10 2 2 2 1 1 2 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 2 2 6 6 3 4 3 3 16 1 1 1 1 2 2 1 2 2 1 1 1 1 2 2 3 4 6 8 2 1 12 1 3 1 1 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 0 2 1 1 1 2 1 2 2 5 7 5 17 3 1 1 2 2 1 1 1 12 100 8 2 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 73 73 m 2H | 45 44 ddq 1H J 16 31 88 | 34 33 d 6H J 15 | 28 26 m 2H | 25 24 m 1H | 24 24 d 3H J 10 | 15 14 dd 6H J 13 176
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCN1CCC[C@H]1C(=O)OCC
ir: 2 1 1 1 1 2 1 1 4 1 3 7 2 1 0 0 0 0 0 2 1 4 0 1 0 0 1 0 0 1 1 9 0 2 1 1 1 1 0 4 1 1 1 0 1 2 2 0 1 1 2 1 0 1 0 0 1 1 1 1 4 3 1 1 3 3 3 1 0 2 1 1 2 1 6 6 1 1 1 1 16 1 3 1 0 3 2 5 3 2 1 0 1 5 3 1 2 2 2 2 1 1 1 2 3 14 8 5 3 5 3 3 5 4 5 3 6 6 6 10 8 1 1 2 1 1 1 1 1 2 1 1 2 1 0 0 1 0 0 1 1 1 2 3 100 3 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 4 0 3 2 1 1 4 4 2 11 11 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 m 2H | 34 34 m 1H | 28 28 ddd 1H J 30 50 121 | 27 26 m 2H | 26 25 dt 1H J 63 125 | 21 20 m 1H | 19 18 m 2H | 18 17 ddddd 1H J 16 32 49 65 136 | 15 14 m 2H | 14 12 m 21H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCCNC(=O)c1cnccc1C(F)(F)F
ir: 2 3 2 1 1 1 1 0 0 0 0 1 1 2 2 2 1 3 14 5 4 1 1 2 4 1 8 7 2 0 3 9 6 19 5 2 2 1 2 5 19 52 10 3 13 5 3 1 2 1 2 2 2 2 1 2 8 1 2 2 1 1 1 1 2 0 2 1 4 2 2 3 5 6 8 2 1 0 0 1 1 1 1 0 0 1 0 0 0 0 1 1 0 0 1 1 1 1 18 51 0 2 5 8 100 4 0 2 2 2 9 12 3 40 8 10 1 3 10 5 15 8 9 4 3 1 1 5 1 1 0 1 0 0 0 1 2 14 6 1 1 1 2 5 9 7 37 22 27 5 2 9 3 4 19 5 2 3 2 2 21 22 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 2 2 2 2 1 1 1 0 1 2 7 3 3 9 9 3 3 4 1 1 1 1 0 0 0 0 0 1 2 1 1 1 1 1 1 3 22 26 26 15 33 11 3 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 tt 1H J 8 57 | 90 89 d 1H J 14 | 88 87 dd 1H J 14 37 | 84 83 t 1H J 50 | 77 76 dq 1H J 21 42 | 36 35 qd 2H J 9 53 | 26 25 q 2H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC1CCn2c1nc1cc(N)cnc12
ir: 29 13 28 83 20 21 42 27 20 18 37 42 11 25 9 5 4 4 13 15 15 8 4 3 3 4 3 5 3 3 4 8 2 3 5 11 7 6 14 13 20 13 5 3 2 4 2 1 2 5 3 4 2 3 2 1 3 3 2 3 3 4 5 5 4 4 7 5 15 7 13 3 3 12 5 2 2 8 2 0 6 33 87 5 2 1 4 2 2 3 3 7 9 5 5 2 2 3 2 2 18 6 2 3 5 3 1 2 2 6 17 7 14 13 2 5 4 4 3 4 8 7 19 17 24 6 5 4 12 5 6 3 2 1 0 2 2 1 0 4 7 20 24 3 46 5 1 4 10 14 0 10 11 90 100 6 2 92 6 0 1 3 2 43 11 2 2 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 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 2 2 1 1 1 1 1 1 1 1 2 2 3 2 2 3 2 6 2 5 3 9 9 6 8 14 14 9 5 12 9 4 3 3 2 1 1 1 1 1 1 1 1 0 2 3 1 1 71 5 3 3 0 1 2 1 1 1 3 42 35 6 3 4 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 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; 1HNMR: 83 82 d 1H J 18 | 75 75 d 1H J 18 | 58 58 t 1H J 36 | 49 49 s 2H | 44 43 ddd 1H J 54 72 172 | 43 42 ddd 1H J 55 71 172 | 26 25 dddd 1H J 37 55 73 145 | 23 22 dddd 1H J 37 55 73 145 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(c2c(O)cc3cc(O)c(Br)cc3c2F)S(=O)(=O)N1
ir: 8 11 8 7 7 5 7 6 3 10 8 22 15 13 4 4 4 7 1 5 20 7 11 5 15 9 4 4 3 1 2 1 1 2 3 3 1 2 1 1 1 2 2 2 1 1 1 1 2 2 9 5 1 14 2 2 1 1 1 1 1 2 1 1 4 2 8 6 3 3 14 5 10 6 1 1 1 2 6 4 2 1 3 1 4 12 23 18 45 6 46 6 7 2 1 1 2 2 13 5 11 2 3 1 1 1 3 1 5 3 2 1 2 6 1 1 5 2 1 1 2 14 12 1 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 1 0 1 6 1 0 2 1 2 3 11 4 2 1 1 4 5 12 1 1 1 0 0 0 0 0 1 1 9 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 2 1 1 2 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 2 0 1 1 1 0 1 1 1 0 4 15 13 3 2 1 5 51 15 100 77 9 4 1 1 0 1 1 0 1 1 1 1 2 2 3 14 5 2 1 1 1 1 0 0 0 1 1 1 1 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 81 81 d 1H J 47 | 71 70 d 1H J 23 | 70 70 d 1H J 22 | 69 69 s 1H | 60 60 s 1H | 48 48 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)O/N=C(\CNC(=O)c1ccccc1C(F)(F)F)c1ncc(Cl)cc1Cl
ir: 10 3 3 2 1 2 2 5 4 2 1 2 3 5 9 5 4 3 5 1 2 1 2 2 2 3 8 4 4 4 5 11 14 11 9 2 18 6 3 6 23 41 19 9 8 5 3 2 1 1 1 2 1 2 1 4 2 1 1 1 1 0 1 1 2 3 31 12 3 1 2 2 2 6 10 5 2 4 2 4 3 8 8 6 1 3 2 1 1 1 1 1 1 1 1 1 1 3 11 22 10 6 3 2 10 19 4 2 2 2 2 14 14 5 6 6 4 10 9 7 9 13 6 5 3 2 3 4 3 9 12 26 12 4 2 1 4 100 8 2 5 6 40 17 5 4 8 11 16 5 7 9 30 4 2 2 21 10 5 1 4 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 3 4 2 2 2 6 8 6 16 44 32 5 3 2 1 2 1 2 1 0 2 1 1 1 1 1 2 3 3 3 4 5 6 56 31 15 5 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 85 85 d 1H J 18 | 82 81 t 1H J 63 | 78 78 m 3H | 78 77 ddd 1H J 15 66 106 | 74 73 m 1H | 48 47 d 2H J 63 | 40 38 hept 1H J 59 | 13 13 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)C(Cc2ccc3oc(C(O)c4ccccc4)nc3c2)S1
ir: 5 4 3 4 4 4 3 4 6 7 7 4 4 4 6 6 5 4 4 3 3 3 4 4 5 4 3 7 4 4 4 4 5 7 4 5 5 3 5 7 9 5 5 10 8 41 26 0 9 7 4 3 3 5 11 7 4 5 4 3 11 4 4 4 5 4 4 3 4 5 8 4 4 4 3 3 3 3 4 3 3 3 4 3 4 6 13 23 31 14 11 4 5 4 3 9 5 4 11 4 3 3 4 6 5 4 3 3 3 4 3 3 3 3 4 8 8 4 3 4 6 4 4 4 5 5 4 4 5 4 3 3 3 4 5 15 6 6 5 3 3 4 9 9 17 4 3 4 4 3 5 4 5 4 8 4 6 6 100 6 4 3 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 4 5 5 4 3 5 7 9 16 19 6 8 5 5 4 18 38 10 6 4 3 3 3 3 3 3 3 3 3 3 4 7 33 19 4 4 3 4 4 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 75 74 dq 1H J 8 22 | 74 73 m 7H | 72 71 ddt 1H J 9 20 91 | 59 59 dd 1H J 9 53 | 48 48 t 1H J 52 | 40 40 d 1H J 53 | 34 33 ddt 1H J 9 53 137 | 31 31 ddt 1H J 9 53 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c2ncsc2c1Cc1ccccc1S(=O)(=O)N1CCCC1
ir: 5 4 9 6 6 3 2 6 5 8 8 10 10 8 8 6 16 4 3 4 5 5 5 5 3 2 2 4 4 1 1 3 3 1 7 8 3 2 2 7 6 2 17 78 11 3 5 4 2 1 2 6 2 1 2 3 2 1 2 4 6 2 13 5 4 18 21 13 3 4 3 4 3 1 8 15 28 29 7 6 16 6 9 5 15 26 39 88 41 17 6 19 6 5 3 4 1 2 3 3 3 3 7 4 4 18 15 5 3 4 5 3 2 4 7 4 0 5 4 6 1 6 8 5 3 11 9 2 1 3 4 1 0 3 4 2 19 18 12 4 9 8 7 2 2 12 29 16 10 28 4 2 4 3 3 1 4 4 3 2 2 3 3 1 2 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 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 3 2 1 2 4 3 2 2 5 5 2 4 3 2 2 2 16 21 9 11 40 35 13 8 3 2 1 3 3 2 1 2 3 2 1 2 3 2 1 3 4 1 3 16 100 56 17 3 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 2 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 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0; 1HNMR: 89 88 s 1H | 86 85 s 1H | 78 77 m 1H | 75 74 m 2H | 74 73 m 1H | 39 39 d 2H J 10 | 32 32 m 4H | 23 23 s 3H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccc(C2CCCCC2)c(Cl)c1)C(Cl)Cl
ir: 2 1 2 1 1 2 6 3 2 4 3 1 3 1 2 4 1 2 2 4 3 3 4 4 3 2 4 11 7 4 2 5 2 2 2 1 3 5 4 2 2 1 1 1 1 1 1 1 1 1 2 3 5 23 14 12 4 6 7 3 2 2 1 3 4 9 17 21 5 1 3 2 4 2 1 2 1 1 2 2 2 5 4 21 13 9 21 89 26 21 4 9 7 7 4 4 13 7 1 1 2 2 1 1 2 3 2 2 1 2 1 4 7 8 5 4 4 3 8 7 6 2 3 2 2 2 1 5 15 4 1 1 3 1 1 1 1 0 0 1 1 1 1 3 4 2 0 2 2 0 9 2 2 11 2 1 1 0 1 1 1 2 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 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 2 4 2 1 4 3 5 3 4 3 5 9 11 10 15 22 47 1 7 4 4 4 16 100 26 6 2 3 3 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 0 1 1 1 0 0 1 1 0 0 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 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 74 q 1H J 10 | 73 72 d 2H J 11 | 59 59 d 1H J 66 | 51 51 ddd 1H J 8 32 66 | 40 40 d 1H J 31 | 30 29 m 1H | 20 19 m 2H | 17 16 m 4H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCC(O)c1cccc(Cl)c1
ir: 9 6 10 6 0 3 2 2 3 2 4 6 11 9 6 7 6 2 9 14 1 4 5 4 10 17 23 9 26 23 24 15 26 10 8 22 5 9 6 3 5 1 1 2 1 2 22 15 14 3 2 2 2 1 4 2 4 2 2 2 2 3 2 3 3 2 5 8 5 5 2 2 2 1 1 2 3 4 6 2 2 1 1 4 5 8 12 28 30 22 12 5 2 3 5 5 6 9 9 6 3 1 1 1 2 2 1 4 2 5 5 2 4 1 4 7 9 13 1 7 9 5 17 6 5 6 13 9 6 5 9 10 10 4 10 2 0 2 3 9 9 5 7 16 21 32 14 21 19 25 46 4 8 8 1 6 1 1 1 2 3 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 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 3 1 2 2 2 2 2 2 1 2 1 1 1 2 5 4 4 13 6 34 21 16 5 2 2 10 14 4 100 15 5 1 1 2 1 1 1 0 1 1 1 3 8 9 34 45 42 3 2 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 3H | 73 72 td 1H J 7 20 | 57 57 t 1H J 51 | 49 48 m 1H | 33 33 dq 1H J 56 137 | 32 32 d 1H J 51 | 32 31 dq 1H J 56 139 | 21 20 ddt 1H J 57 66 147 | 19 18 ddt 1H J 57 66 146 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cc(C2CCN(S(=O)(=O)c3cccc(S(C)(=O)=O)c3)CC2)c2cc(F)ccc2c1
ir: 9 12 9 27 6 20 9 13 10 11 8 25 31 10 39 7 1 9 8 3 2 3 4 2 1 2 2 1 3 2 5 37 35 5 4 2 23 6 4 0 2 3 8 0 3 16 12 14 7 4 2 4 8 20 16 3 5 5 11 6 3 5 9 0 23 53 100 25 16 13 8 8 4 6 5 2 4 9 18 25 22 14 8 71 68 34 43 69 22 12 7 2 13 5 11 5 7 6 5 20 16 10 14 15 20 19 27 14 5 4 4 4 4 5 4 10 13 4 0 15 10 19 4 7 37 27 8 5 7 6 9 6 2 7 4 2 2 3 4 10 37 17 9 8 29 9 3 3 1 1 1 2 3 4 6 13 5 3 5 14 5 3 5 4 3 1 2 3 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 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 1 2 1 1 1 2 1 1 2 1 0 1 2 2 1 2 5 6 2 2 4 4 4 5 7 3 2 2 5 13 23 18 12 30 64 16 23 17 4 3 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 2; 1HNMR: 83 83 t 1H J 21 | 80 80 ddd 1H J 13 22 82 | 79 79 ddd 1H J 13 20 86 | 79 78 m 2H | 77 77 m 1H | 77 76 h 1H J 10 | 72 72 ddd 1H J 26 81 104 | 71 71 dd 1H J 10 22 | 37 36 s 2H | 36 36 d 2H J 9 | 35 34 ddd 2H J 66 93 128 | 34 33 ddd 2H J 66 93 128 | 32 32 s 2H | 32 31 pd 1H J 7 55 | 23 22 dddd 2H J 53 66 92 119 | 20 19 dddd 2H J 55 66 93 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.