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COC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)C1c1ccc(C#N)cc1
ir: 7 6 6 7 5 7 8 5 6 5 6 5 10 6 5 5 5 5 5 5 5 7 8 11 5 9 5 7 5 5 5 6 27 6 6 5 5 7 16 5 7 7 5 7 10 16 25 7 13 7 14 26 13 5 5 4 8 22 6 4 5 6 5 4 5 5 6 6 10 8 5 4 5 7 8 6 5 5 5 7 5 5 9 4 5 5 6 5 6 5 4 5 6 7 7 6 6 5 0 9 8 5 5 5 5 5 6 5 10 5 6 8 13 8 9 12 9 15 17 10 15 8 6 9 10 12 6 11 14 5 5 6 15 6 5 6 6 5 5 17 9 6 5 5 5 5 13 7 6 5 5 100 10 15 8 17 7 1 37 2 7 6 25 5 5 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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 5 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 5 4 4 4 5 5 4 5 5 5 6 6 5 6 5 6 5 6 8 12 7 20 25 24 7 5 5 5 7 4 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 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 4 4 4 4 4 4 4 4 4 4 4 4 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 5 4 4 4 5; 1HNMR: 79 78 t 1H J 22 | 77 76 m 2H | 75 74 m 3H | 74 73 ddd 1H J 13 22 71 | 73 72 ddd 1H J 12 22 106 | 63 63 q 1H J 10 | 38 38 s 2H | 30 28 m 2H | 27 26 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(OCc2ccccc2)cc2cccnc12
ir: 4 4 3 4 4 5 5 4 8 10 9 11 18 7 5 6 5 7 4 4 4 4 4 4 5 5 6 10 8 7 7 12 5 3 4 4 5 4 5 16 17 2 4 4 4 3 3 4 4 4 5 9 7 3 4 4 4 3 4 4 4 4 4 4 4 5 7 14 16 14 11 6 5 3 4 4 6 7 4 4 4 4 7 9 4 3 4 5 5 5 4 3 3 3 4 3 3 5 4 4 3 3 10 7 3 3 4 3 9 4 4 3 4 4 12 5 3 4 6 12 7 4 4 3 3 4 3 4 4 3 3 3 3 3 4 9 3 4 4 3 4 4 6 15 7 12 5 5 7 6 6 8 10 30 11 9 6 4 4 3 6 17 5 4 4 4 7 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 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 4 4 4 5 4 4 6 9 9 23 23 8 5 5 4 4 4 4 3 3 4 4 3 3 3 3 4 30 72 9 3 2 4 5 2 2 5 6 0 12 100 7 7 5 2 3 4 4 3 3 4 3 3 4 4 4 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 86 86 dd 1H J 17 40 | 80 79 dt 1H J 19 79 | 75 74 m 3H | 74 73 m 2H | 73 73 m 1H | 73 72 t 1H J 22 | 66 65 d 1H J 22 | 59 58 s 2H | 50 49 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc2c(c1)OCC(=S)N2
ir: 18 14 27 36 19 11 11 12 13 8 9 7 10 5 2 5 6 4 1 4 3 4 3 4 4 4 19 34 57 24 4 6 6 3 5 4 5 1 3 4 4 4 1 5 3 1 3 5 5 0 4 10 7 8 10 7 4 1 5 4 3 2 3 4 4 5 15 27 9 11 4 4 2 1 3 4 2 1 5 24 18 2 4 5 2 1 4 5 2 2 4 4 1 2 5 4 1 2 11 23 7 4 4 3 1 3 9 8 4 2 4 2 0 3 6 3 12 10 6 4 1 3 4 2 1 3 4 5 5 2 3 1 1 3 3 1 1 3 3 1 3 9 11 3 4 7 3 2 2 3 4 2 3 15 11 19 50 66 14 2 4 9 4 22 14 3 2 1 2 3 2 0 2 4 2 1 2 3 2 0 2 4 2 1 2 3 1 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 3 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 2 2 4 3 2 2 3 3 1 2 4 3 1 2 3 3 2 2 4 4 2 2 3 4 3 3 4 7 7 7 19 18 2 4 6 4 1 3 3 2 1 3 3 2 1 3 4 4 46 100 27 2 2 19 29 25 17 9 11 12 64 51 7 3 3 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 70 69 d 1H J 80 | 67 66 dd 1H J 22 81 | 65 64 d 1H J 22 | 56 55 s 2H | 53 52 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC=C(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)C1
ir: 4 5 8 5 15 10 16 6 8 27 21 8 6 5 8 9 49 18 15 12 45 10 9 27 11 6 4 8 4 6 21 23 8 5 8 12 16 7 9 7 60 73 77 98 56 11 11 10 7 0 3 8 3 5 21 1 45 13 7 3 2 8 4 3 4 6 2 2 20 12 5 5 3 4 4 5 7 15 19 2 3 3 2 3 6 3 4 3 4 5 7 16 6 5 2 2 2 2 4 2 4 2 7 4 4 2 2 3 4 3 4 5 7 7 16 7 3 5 6 4 4 8 3 5 12 9 8 4 8 64 15 11 38 4 7 14 18 3 8 9 7 26 28 33 24 10 8 34 6 5 18 94 29 3 5 7 11 6 82 56 36 13 9 4 3 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 2 3 3 1 2 4 3 0 2 5 4 1 6 12 48 16 32 100 41 22 16 2 5 5 2 2 2 3 2 1 3 3 3 2 14 20 5 2 3 2 2 2 3 2 3 4 3 47 61 0 5 3 1 2 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 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 80 79 d 1H J 86 | 79 79 m 2H | 77 77 s 2H | 74 73 m 3H | 71 71 m 3H | 70 70 m 2H | 69 69 tt 1H J 9 29 | 47 47 d 2H J 9 | 41 41 d 2H J 27 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cccc(C(F)(F)F)c2)c(=O)c(-c2ccccc2Cl)c1
ir: 7 4 0 4 9 8 2 4 7 13 1 8 15 7 3 5 16 10 2 5 6 2 2 5 6 2 1 7 7 3 2 10 16 5 5 7 7 8 3 10 5 7 7 20 16 2 6 26 86 14 7 7 4 1 4 11 8 2 4 7 4 1 11 35 8 3 6 14 22 13 7 8 5 3 6 15 5 3 5 6 5 3 7 6 3 3 7 29 23 16 8 5 2 3 6 4 3 6 22 34 20 4 7 4 0 3 8 4 0 4 13 51 5 12 11 7 4 6 15 15 11 9 9 9 8 6 9 3 37 10 6 5 4 5 6 9 22 65 9 6 21 17 29 34 7 8 5 13 33 7 6 2 4 8 5 3 5 8 20 1 3 9 6 1 9 6 4 1 3 6 4 1 4 6 3 1 4 7 3 1 4 6 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 5 2 4 6 4 4 5 8 11 12 20 74 100 8 18 19 4 5 5 6 4 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 5 5 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 1; 1HNMR: 85 85 p 1H J 11 | 85 84 p 1H J 10 | 79 79 t 1H J 20 | 77 76 m 3H | 76 75 dt 1H J 21 98 | 75 75 dd 1H J 17 78 | 74 73 m 2H | 39 39 t 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C#N
ir: 3 1 1 1 1 2 2 3 3 6 2 1 2 1 3 7 2 3 1 1 1 2 1 4 8 10 3 1 5 10 11 3 18 10 4 10 6 16 6 1 5 17 4 2 3 1 1 1 2 2 9 1 2 3 9 30 89 18 3 3 2 1 2 5 1 2 4 5 46 44 4 1 3 3 3 6 7 14 7 2 2 2 1 2 3 2 3 26 40 4 0 1 3 3 1 18 4 6 13 5 6 7 7 29 8 3 2 2 1 1 1 1 2 2 5 5 3 5 5 4 6 5 7 3 5 4 2 2 7 8 3 7 5 3 17 10 2 3 1 3 4 12 63 26 5 4 11 6 17 100 24 3 4 55 6 17 7 2 2 2 28 2 1 1 1 3 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 27 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 4 3 3 5 5 4 8 6 13 8 44 20 54 44 98 24 10 4 3 4 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 d 1H J 27 | 80 80 d 1H J 81 | 79 78 dd 1H J 25 81 | 76 75 m 2H | 75 74 m 2H | 74 73 m 1H | 30 29 dtdq 1H J 15 45 57 71 | 19 18 m 2H | 17 15 m 2H | 9 9 td 6H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSc1ncc(C(=O)O)c(N)n1
ir: 3 2 2 1 1 1 1 2 2 1 1 1 3 2 2 2 1 2 1 2 4 1 4 12 19 30 6 3 1 2 3 1 2 2 2 2 2 5 9 25 27 7 7 3 2 1 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 5 4 3 5 20 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 5 7 1 1 1 1 1 1 1 1 3 5 2 1 1 1 1 1 1 1 13 1 1 1 1 1 1 1 1 1 1 7 2 18 3 3 1 1 3 5 6 11 13 4 2 18 57 38 5 4 7 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 1 1 1 0 1 1 1 0 1 1 1 0 5 100 24 2 1 1 2 2 2 7 3 1 1 1 1 1 1 1 0 0 2 6 73 4 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 s 1H | 79 79 s 2H | 32 31 q 2H J 71 | 15 14 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C=C2CCc3c2nc2ccc(C(=O)O)cn2c3=O)c1
ir: 2 2 3 3 3 3 3 2 2 2 4 3 2 2 3 3 3 6 4 4 6 3 7 69 35 7 4 5 4 5 7 6 4 4 4 2 2 2 2 2 4 3 4 10 21 3 5 7 4 4 5 2 2 2 2 2 2 2 2 3 3 3 3 2 3 2 5 12 7 6 4 4 3 2 2 2 3 5 35 20 4 6 3 2 2 3 3 2 3 2 2 2 4 3 2 3 3 2 2 2 3 4 8 2 3 4 3 2 2 5 2 2 4 15 4 4 15 3 2 2 2 2 2 2 2 3 3 3 3 13 6 2 2 2 2 2 2 2 2 4 4 7 18 5 2 7 2 2 2 2 2 4 6 7 10 3 3 3 7 7 12 2 2 2 3 3 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 3 5 5 6 25 13 14 10 3 3 6 3 0 29 100 14 8 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 85 d 1H J 14 | 78 77 d 1H J 90 | 77 77 dd 1H J 14 90 | 73 72 ddd 1H J 18 26 80 | 72 71 t 1H J 79 | 70 70 dd 1H J 18 26 | 69 68 dt 1H J 24 79 | 68 67 t 1H J 8 | 38 38 s 3H | 31 31 ddd 2H J 8 39 47 | 30 29 dd 2H J 39 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H]1C(=O)N[C@@H](C2CC2)CN1Cc1cc(-c2ccc(F)cc2)on1
ir: 1 1 1 2 2 3 4 3 3 2 2 3 4 29 6 18 21 15 9 8 10 10 29 12 5 3 2 2 2 1 3 4 7 17 30 34 11 25 3 2 3 17 4 7 6 12 2 3 5 3 4 6 4 24 15 50 12 14 5 4 3 10 18 6 20 10 4 5 5 9 24 36 9 8 1 3 3 5 2 6 15 7 21 2 2 5 4 6 3 3 7 7 24 10 7 3 4 8 3 5 2 3 5 4 3 3 5 5 2 4 4 8 5 2 10 20 16 18 7 6 14 10 7 2 2 2 2 8 3 11 14 7 14 4 13 2 5 3 3 4 14 3 3 3 4 2 7 100 5 15 8 30 25 43 36 36 3 3 2 0 1 3 2 3 3 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 1 2 5 5 4 3 4 4 39 7 1 16 30 24 58 21 30 15 17 4 5 3 3 1 1 2 1 1 1 1 1 2 2 1 2 4 5 32 19 8 13 16 12 9 3 2 1 0 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 m 2H | 72 71 m 2H | 68 68 d 1H J 9 | 61 61 d 1H J 64 | 40 40 dd 1H J 10 143 | 39 39 dd 1H J 10 143 | 36 35 m 2H | 31 30 dd 1H J 34 118 | 29 28 d 1H J 118 | 18 16 m 2H | 16 15 m 2H | 10 9 m 5H | 9 8 d 3H J 68 | 7 7 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCC(NCCSc2ccccc2)CC1
ir: 1 0 2 1 0 1 1 3 2 1 2 2 6 3 2 0 1 0 0 0 0 1 2 1 1 1 1 1 3 8 3 1 2 1 1 3 1 5 10 14 35 18 18 48 5 4 2 3 2 1 7 2 2 1 1 2 1 0 0 0 1 0 1 2 5 3 4 3 20 5 2 1 1 1 2 2 6 4 2 1 1 0 0 1 3 1 0 0 0 0 1 1 0 0 1 2 1 1 0 1 1 2 1 2 4 1 6 7 13 11 6 4 1 4 3 4 7 10 14 8 5 3 4 4 10 5 2 5 3 3 4 3 12 14 9 9 8 2 2 1 2 12 19 4 1 3 4 1 0 2 3 2 3 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 2 1 2 1 2 4 3 7 6 8 9 31 14 5 5 2 1 2 1 1 1 1 1 1 2 4 2 3 3 3 12 100 16 8 2 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; 1HNMR: 73 73 m 3H | 73 72 m 2H | 31 30 t 2H J 44 | 28 28 m 2H | 27 26 m 2H | 17 16 ddt 2H J 50 81 131 | 16 15 ddt 2H J 55 81 136 | 14 13 m 3H | 12 11 m 2H | 9 9 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CNCC2
ir: 2 1 2 1 1 1 1 0 1 1 0 0 1 1 0 1 1 2 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 0 5 2 1 5 8 7 3 1 1 3 6 2 3 1 1 4 2 0 1 3 21 15 3 2 12 4 5 1 2 8 2 1 3 6 9 2 3 1 1 1 1 0 0 0 1 1 0 0 0 1 2 1 1 2 1 1 1 2 0 0 1 0 0 0 1 1 0 1 0 1 1 5 2 2 8 23 4 2 2 9 9 16 6 5 4 2 3 12 9 4 1 2 1 3 5 2 2 1 2 2 7 3 3 1 1 1 1 1 1 1 4 8 5 4 11 3 1 0 1 4 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 3 1 2 3 2 1 2 2 2 1 6 9 4 7 7 7 2 2 1 1 1 0 0 1 1 1 1 1 1 1 0 1 5 13 100 4 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 15 | 77 77 dd 1H J 15 85 | 74 73 d 1H J 84 | 42 42 d 2H J 38 | 40 39 t 2H J 45 | 38 38 ddd 2H J 57 84 121 | 35 34 ddd 2H J 57 84 121 | 31 31 m 2H | 28 27 m 2H | 27 26 p 1H J 36 | 19 18 ddt 2H J 55 84 125 | 18 16 m 3H | 16 15 ddt 2H J 55 84 125 | 10 9 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(C=O)cc21
ir: 1 2 2 6 0 16 44 34 9 3 1 2 2 1 2 1 2 3 1 2 6 5 3 11 7 4 9 3 2 2 3 1 2 7 6 10 8 7 8 2 10 22 18 5 6 94 5 4 6 3 3 7 18 4 3 2 3 7 6 42 10 6 5 14 8 9 11 100 40 7 17 5 3 3 2 4 31 5 3 1 1 1 2 5 8 3 18 6 2 1 2 2 1 1 1 23 2 1 1 2 1 2 1 5 45 5 2 2 2 1 3 2 9 12 6 11 3 5 10 5 5 4 3 14 3 1 6 2 4 4 6 3 10 21 17 16 13 17 8 2 2 2 2 3 2 7 8 15 4 2 2 1 45 11 49 17 3 2 2 9 37 3 10 20 37 5 3 1 1 2 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 1 1 3 2 3 6 4 20 10 22 30 36 29 8 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H | 86 85 t 1H J 10 | 77 77 s 1H | 65 64 t 1H J 44 | 52 52 d 2H J 9 | 42 41 q 2H J 77 | 39 39 s 5H | 13 13 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC(C)CNC1=O
ir: 7 20 6 5 2 7 2 2 2 5 1 2 2 3 2 5 3 2 2 4 3 3 2 4 4 7 14 46 50 12 8 5 9 17 11 7 4 4 3 7 13 5 2 1 2 4 4 3 2 2 1 1 1 3 2 1 0 1 1 2 1 1 1 1 5 3 0 2 3 1 1 1 1 5 5 5 3 2 2 2 1 0 1 1 1 1 1 1 0 1 1 1 3 3 4 5 3 2 3 1 2 1 3 2 5 5 4 9 2 3 2 2 13 8 10 3 4 3 8 4 3 8 16 5 2 5 4 2 5 14 17 26 12 5 5 2 2 1 1 1 1 2 3 100 64 5 2 1 5 4 4 15 62 86 8 5 1 3 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 1 0 0 0 1 1 1 1 1 1 2 2 2 1 2 3 6 9 8 7 6 4 3 1 2 0 1 0 0 1 0 1 0 0 0 0 0 1 1 3 1 1 1 1 3 4 6 20 9 22 5 3 2 1 2 1 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 t 1H J 50 | 43 41 m 2H | 35 34 ddd 1H J 40 50 124 | 34 33 t 1H J 74 | 32 31 ddd 1H J 40 50 124 | 22 20 m 2H | 19 18 m 1H | 13 12 t 3H J 64 | 10 9 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)OCC(F)(F)F)ccc1Cl
ir: 10 8 3 8 5 14 14 10 8 5 4 3 2 4 8 17 11 3 7 2 4 13 11 18 6 6 3 1 1 1 1 2 1 10 8 13 5 4 8 2 2 2 1 0 1 2 1 0 1 2 1 1 2 7 34 16 5 4 2 1 2 1 3 1 2 11 13 11 10 2 2 3 2 2 3 3 2 4 13 1 2 2 1 1 2 1 4 4 5 14 7 7 5 6 2 2 1 2 0 16 8 16 18 6 8 13 5 1 2 1 0 2 4 3 7 17 30 41 74 26 14 12 10 19 14 6 5 4 6 8 1 1 1 2 2 1 1 1 2 2 8 5 2 3 6 100 88 10 18 44 4 3 3 1 1 2 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 4 5 5 2 2 2 2 3 3 10 12 22 24 92 29 12 12 9 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 20 86 | 76 75 d 1H J 86 | 75 74 d 1H J 20 | 48 47 q 2H J 130 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(O)(c1cccs1)c1cccs1
ir: 5 6 6 5 4 4 5 7 8 9 6 11 7 6 7 12 25 29 10 13 12 11 12 77 76 28 11 7 7 8 5 8 6 5 4 7 7 10 53 100 12 12 8 3 4 6 5 4 4 6 6 6 5 6 5 4 5 5 4 5 6 6 5 4 5 5 6 5 6 5 5 5 6 8 8 11 8 29 71 51 26 9 5 5 5 6 5 9 6 21 30 29 37 21 5 5 5 5 4 4 5 4 4 5 16 23 7 5 5 6 5 6 11 11 6 5 6 10 11 7 6 6 9 7 7 4 4 4 6 5 11 82 21 4 4 5 5 3 3 5 5 3 4 8 20 10 24 19 6 4 4 5 6 8 5 5 4 4 4 4 4 4 4 4 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 5 5 4 4 4 4 3 4 4 4 3 4 5 5 3 5 5 5 3 4 5 4 3 4 5 4 2 4 6 6 6 5 8 4 0 40 92 62 21 6 2 27 33 11 58 9 5 4 4 4 4 4 4 5 8 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 4 4 4 4 4 4; 1HNMR: 74 74 dd 2H J 18 38 | 70 70 m 4H | 49 49 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCc2c(n(C)c3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)C1
ir: 17 8 7 6 6 7 7 12 9 6 5 8 6 5 6 7 5 5 6 7 8 6 6 6 6 6 8 6 5 10 11 14 10 14 9 5 5 9 9 5 100 25 25 8 10 5 5 8 6 6 7 15 25 14 64 23 9 4 5 6 6 8 6 17 11 15 10 49 96 19 15 8 8 10 6 5 12 7 11 13 87 7 6 9 9 10 13 36 22 21 9 8 10 8 6 6 9 10 5 8 19 20 9 6 5 5 10 5 5 7 8 6 7 7 6 5 7 7 7 7 6 7 8 10 8 6 12 7 5 11 14 7 8 7 8 26 5 7 7 6 15 10 53 13 10 30 11 40 31 9 10 14 36 9 16 42 19 11 8 4 5 7 28 5 57 0 6 7 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 6 5 5 6 6 7 5 5 7 6 5 10 25 15 12 34 55 59 46 87 17 11 12 6 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 79 79 d 1H J 81 | 76 75 dd 1H J 22 77 | 74 74 d 1H J 77 | 74 73 m 6H | 62 62 dd 1H J 13 81 | 59 59 d 1H J 13 | 51 51 d 2H J 7 | 37 37 s 2H | 36 36 s 2H | 30 29 m 2H | 29 28 m 2H | 27 26 q 2H J 71 | 11 11 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2cccc3cccc(c32)c2nc3cc(C(F)(F)F)ccc3n12
ir: 5 7 8 6 4 7 12 5 5 5 7 5 5 5 6 5 5 5 6 7 21 7 6 8 5 11 15 6 5 11 6 5 5 5 5 5 5 8 7 8 9 7 7 7 6 4 100 14 6 10 8 4 5 6 12 17 9 9 11 4 6 7 5 5 5 6 5 5 9 10 5 4 7 6 5 4 5 6 5 6 7 6 5 5 6 5 10 5 6 7 6 7 9 5 5 5 6 6 40 15 18 29 4 5 9 6 2 5 15 9 50 18 0 6 7 5 4 6 8 6 7 19 7 6 9 19 6 5 8 26 17 10 6 5 5 5 7 8 13 6 10 5 5 6 89 5 9 5 5 23 11 16 12 15 36 21 31 8 7 6 5 6 8 11 5 5 5 5 5 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 4 5 5 5 5 5 5 5 5 5 6 5 5 6 6 6 5 7 8 27 51 46 14 11 7 10 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5; 1HNMR: 84 84 d 1H J 112 | 83 83 m 2H | 82 81 m 3H | 79 79 m 1H | 78 77 td 2H J 17 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1ccc(Cl)cc1-c1cc2c(nn1)CCCCCC2
ir: 4 3 2 2 2 3 4 4 2 2 3 4 2 3 17 3 3 3 2 2 2 2 2 2 2 2 3 3 11 2 2 2 3 2 2 3 2 2 3 4 2 5 2 2 2 3 5 2 3 3 4 2 2 7 100 8 3 0 2 4 2 2 2 3 2 4 10 12 19 9 3 18 3 3 2 6 2 2 2 2 2 2 2 2 3 2 3 3 3 2 3 3 3 2 3 3 2 4 8 12 15 3 3 3 3 29 13 5 2 5 11 5 9 19 20 24 13 4 7 5 2 3 3 3 5 9 3 3 3 2 3 3 24 15 3 2 2 2 2 2 7 4 4 2 13 6 4 7 3 6 4 2 10 7 3 2 2 5 4 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 4 4 3 3 3 3 12 8 5 12 61 24 15 5 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 77 m 2H | 77 76 dq 1H J 25 73 | 75 74 dd 1H J 25 73 | 28 27 m 4H | 22 21 tt 2H J 70 82 | 19 18 m 2H | 18 17 tt 2H J 73 90 | 14 13 p 2H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccccc1-c1nc2nc(NCC(=O)O)ncc2c(=O)[nH]1
ir: 2 2 2 5 4 5 2 3 5 6 5 8 11 6 9 4 5 4 32 22 16 31 55 43 14 6 9 5 12 13 8 7 8 9 5 4 5 6 3 4 6 6 20 13 22 20 16 42 69 24 15 3 3 5 18 69 49 7 3 1 3 6 2 1 2 4 5 1 3 1 2 1 4 2 3 6 7 7 11 34 17 10 4 3 6 7 5 2 3 2 2 1 2 1 2 4 3 4 2 2 4 1 2 2 2 1 2 1 2 3 9 4 7 2 2 2 4 4 8 4 2 9 5 3 2 5 13 13 6 2 6 3 3 12 7 3 6 3 14 14 8 9 10 35 6 14 19 13 32 13 12 10 6 2 1 2 3 5 14 58 100 20 84 19 3 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 2 2 7 3 5 15 25 9 5 1 1 1 1 1 2 2 9 2 2 1 1 1 2 1 1 2 3 3 4 22 11 17 92 17 6 4 3 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 92 s 1H | 85 84 dd 1H J 16 75 | 84 83 t 1H J 62 | 75 74 td 1H J 16 79 | 72 71 td 1H J 12 75 | 71 70 dd 1H J 12 81 | 44 44 d 2H J 62 | 42 42 t 2H J 53 | 20 19 qt 2H J 53 79 | 12 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)N1C[C@H](O)[C@H]2NCC[C@H]21
ir: 1 1 1 1 1 1 1 1 1 5 1 1 2 0 0 1 2 1 3 2 2 1 0 1 1 0 0 2 1 2 0 2 3 2 3 83 7 6 3 2 2 2 2 3 2 1 3 2 1 2 2 2 1 1 3 13 14 1 5 0 1 1 2 2 7 0 2 3 14 31 6 3 4 2 1 1 1 2 1 1 0 1 1 4 3 11 100 0 5 6 0 0 2 3 1 0 1 2 0 0 6 6 4 6 6 11 2 7 6 11 16 4 2 3 5 9 1 1 1 1 1 2 3 5 4 2 2 3 8 6 3 2 10 5 5 3 0 0 0 0 1 0 4 8 3 2 5 21 4 1 0 0 1 2 1 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 0 1 0 1 1 1 1 1 1 2 2 3 1 1 3 4 1 4 4 7 6 10 22 3 2 1 2 3 10 95 5 3 0 0 1 1 1 1 2 2 16 19 1 1 1 1 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; 1HNMR: 76 76 m 2H | 75 74 m 3H | 41 41 qdd 1H J 7 18 37 | 40 40 dtq 1H J 10 20 40 | 39 39 dd 1H J 20 123 | 37 36 ddt 1H J 18 38 123 | 36 36 d 1H J 53 | 35 34 ddp 1H J 16 32 49 | 31 30 m 2H | 30 29 m 1H | 21 20 m 1H | 19 18 dtd 1H J 27 44 127
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CSCc1cncc(Br)c1
ir: 1 1 3 3 1 2 1 6 7 2 3 1 2 5 9 4 1 5 10 4 3 3 1 1 2 9 34 100 4 3 6 10 4 13 5 1 2 20 11 5 3 2 1 1 5 1 1 1 1 7 5 1 2 2 3 1 1 0 1 1 1 0 1 2 1 3 2 1 7 4 1 2 1 1 1 2 11 17 3 2 1 0 1 1 0 1 2 1 3 2 1 1 1 1 4 4 1 1 1 0 1 1 4 2 1 0 1 0 0 1 2 5 5 2 2 4 3 3 14 20 9 5 2 1 0 4 7 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 14 9 2 0 0 3 5 0 0 3 3 36 34 26 24 6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 1 1 0 1 1 1 7 6 3 2 6 2 4 2 2 1 0 0 0 0 0 0 0 0 0 1 1 2 5 0 0 0 0 0 0 1 0 0 1 4 94 58 3 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; 1HNMR: 85 85 m 2H | 76 75 tt 1H J 8 17 | 66 66 s 2H | 39 38 t 2H J 8 | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCCCN1C(=O)c1cncs1
ir: 7 12 14 10 3 9 16 8 0 10 17 11 6 10 16 5 2 10 13 6 2 10 12 4 4 10 11 3 2 12 15 5 14 29 34 19 13 16 18 4 5 12 9 2 9 12 16 3 10 13 16 14 15 17 7 2 8 15 8 1 7 14 7 5 29 16 8 4 14 13 7 7 18 18 14 17 17 15 4 3 10 12 3 3 11 37 7 34 13 11 4 8 16 20 15 11 13 10 3 10 14 9 5 8 14 9 1 9 20 16 18 20 31 20 6 14 16 15 17 23 27 8 21 18 28 11 9 14 25 16 11 16 16 8 5 11 17 19 17 26 15 13 5 70 63 37 72 100 22 17 7 10 8 3 5 10 8 2 5 11 7 1 5 11 7 1 5 11 6 0 6 12 6 0 6 11 5 1 7 11 5 1 7 10 5 2 7 10 4 2 8 9 4 2 8 9 3 3 8 9 3 3 9 8 3 4 9 8 2 4 10 7 2 4 10 7 2 5 10 7 1 5 11 6 1 6 11 6 0 6 11 6 1 6 11 5 1 7 10 5 2 7 10 5 2 7 9 4 2 8 9 4 3 8 9 3 3 8 8 3 4 9 8 3 4 9 8 3 6 11 9 3 6 12 11 4 8 14 8 4 7 12 10 14 24 24 11 10 9 11 6 2 7 11 5 2 7 10 5 2 7 9 5 3 7 9 4 3 8 9 4 3 8 8 3 4 8 8 3 4 9 7 3 4 9 7 3 5 9 7 2 5 9 6 2 5 10 6 2 6 10 6 1 6 10 6 2 6 10 5 2 6 9 5 2 7 9 5 3 7 9 4 3 7 8 4 3 8 8 4 4 8 8 4 4 8 7 3 4 8 7 3 5 9 7 3 5 9 7 3 5 9 6 2 5 9 6 2 6 10; 1HNMR: 92 92 d 1H J 16 | 84 84 d 1H J 16 | 45 44 t 1H J 66 | 42 41 m 2H | 39 38 ddd 1H J 36 61 123 | 35 34 ddd 1H J 35 62 124 | 22 21 dddd 1H J 52 67 80 131 | 20 19 dddd 1H J 54 66 78 129 | 18 16 m 4H | 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.
CCOC(=O)C(CC)(CCCC1CCCCC1)C(=O)OCC
ir: 1 4 3 5 4 5 15 16 7 13 10 9 3 5 3 2 2 2 2 2 3 2 2 1 3 3 2 1 1 2 1 3 1 2 1 1 1 2 2 1 1 3 2 3 1 2 2 1 2 2 1 2 1 3 2 2 3 2 1 1 2 3 2 2 2 5 2 4 2 3 2 3 6 10 6 7 5 14 10 2 2 2 2 7 7 2 1 1 3 9 2 1 1 2 0 1 3 2 4 3 3 5 5 6 12 4 4 4 6 8 12 33 13 23 19 13 13 25 19 8 3 6 4 7 9 5 3 3 6 7 1 2 4 2 1 1 2 1 1 2 3 1 4 23 65 100 27 7 4 3 2 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 6 2 2 4 3 9 3 2 4 0 2 6 7 18 37 6 4 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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: 42 41 p 4H J 60 | 20 19 m 2H | 19 19 d 1H J 79 | 19 18 d 1H J 79 | 15 11 m 21H | 10 9 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNS(=O)(=O)CCCCOc1cc(F)ccc1CNC(=O)OC(C)(C)C
ir: 10 12 10 4 7 11 15 7 8 11 11 13 9 5 4 3 4 4 3 4 4 3 1 4 10 12 79 77 20 16 6 3 4 5 5 4 4 6 6 6 9 3 5 11 8 12 7 8 4 5 8 7 29 2 47 11 20 16 7 5 4 6 4 8 8 3 18 25 24 32 19 6 9 5 2 1 3 6 24 15 9 7 2 1 6 11 24 62 16 9 5 7 3 6 11 13 4 9 15 12 11 11 6 20 12 15 14 42 71 44 11 18 34 11 9 7 9 7 14 29 14 8 8 7 7 4 6 10 17 9 10 5 5 5 3 1 1 3 4 2 4 67 23 7 9 12 28 13 11 56 20 10 6 10 4 5 3 1 1 2 4 20 8 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 1 0 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 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 2 1 2 1 3 2 3 3 5 7 5 4 4 4 2 4 5 7 15 44 16 4 100 34 2 2 3 2 2 3 1 2 3 2 2 2 3 2 2 3 3 5 15 66 37 18 19 44 28 7 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 ddt 1H J 9 45 80 | 69 68 ddd 1H J 20 79 101 | 65 64 dd 1H J 22 121 | 60 59 t 1H J 57 | 58 57 q 1H J 67 | 47 46 dd 2H J 8 57 | 40 40 m 2H | 30 29 m 2H | 27 27 d 3H J 66 | 19 18 m 4H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(=O)c(-c2ccc(S(C)(=O)=O)nc2)cc2cnc(NCCC3CCN(C)CC3)nc21
ir: 15 17 9 15 27 8 21 7 4 7 12 5 4 5 8 8 6 14 10 6 9 12 12 6 4 9 4 6 7 4 8 5 4 6 6 7 6 10 83 14 8 13 9 3 6 14 36 60 36 13 7 5 7 7 12 8 6 10 6 4 5 5 5 2 5 13 21 8 10 8 9 3 5 9 5 3 4 11 5 4 15 27 9 4 41 33 6 4 7 13 9 7 6 11 8 10 7 8 7 4 7 6 12 36 17 20 13 17 10 8 0 17 6 11 3 7 5 6 5 7 7 17 5 16 3 7 19 8 8 3 4 14 7 13 17 4 21 12 7 13 14 16 16 9 15 10 28 57 94 23 15 14 18 9 9 100 11 2 4 5 44 7 3 5 12 4 3 4 3 2 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 4 2 3 3 3 3 3 5 5 6 3 4 5 3 5 4 4 2 3 6 10 33 13 8 13 21 16 15 5 2 4 4 3 2 4 4 4 3 4 5 4 4 6 8 4 3 5 7 4 11 11 73 16 15 9 5 4 3 4 4 3 3 4 3 2 3 4 3 2 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 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; 1HNMR: 89 89 d 1H J 19 | 85 85 d 2H J 83 | 84 83 d 1H J 93 | 79 78 dd 1H J 19 92 | 59 59 t 1H J 48 | 43 42 q 2H J 82 | 35 35 td 2H J 48 70 | 34 33 s 2H | 27 25 m 4H | 23 22 s 2H | 19 17 m 4H | 16 15 m 3H | 14 13 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1c(Cl)nc2ccccn12
ir: 2 2 2 4 9 15 9 5 8 3 14 10 13 6 8 12 24 9 8 7 5 6 2 3 3 3 4 2 1 4 3 3 4 4 3 2 2 2 1 6 10 19 9 7 14 49 33 16 4 4 2 0 3 4 4 2 3 2 1 4 13 10 12 2 11 5 12 12 25 37 23 1 7 6 8 29 22 29 21 45 74 25 11 8 26 6 7 5 8 38 100 15 3 2 2 1 3 7 2 1 1 1 2 1 8 3 0 1 5 9 5 3 22 20 6 9 18 23 11 29 4 2 3 5 3 3 1 2 3 1 1 1 1 1 1 1 2 1 1 1 1 6 3 4 2 1 1 2 9 8 10 5 2 1 1 1 1 1 1 1 1 1 1 1 2 3 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 5 3 7 7 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 13 32 5 1 2 7 18 23 9 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: 92 92 dd 1H J 15 83 | 84 84 s 2H | 79 78 dd 1H J 15 79 | 77 77 ddd 1H J 13 70 80 | 74 73 ddd 1H J 13 70 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ncc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1)N1CCOCC1
ir: 3 2 3 6 1 4 4 2 2 4 6 3 1 4 8 3 6 12 12 5 6 3 7 4 2 3 13 12 10 5 10 20 29 17 20 8 19 33 12 6 5 2 3 5 5 3 2 8 3 3 3 9 7 19 30 25 23 23 40 24 13 0 6 8 7 4 6 10 11 9 8 7 4 15 3 2 2 2 1 1 3 2 2 10 5 6 10 3 7 10 17 8 4 6 12 7 9 6 3 4 8 8 14 13 5 3 4 7 3 100 27 16 19 11 3 4 4 4 1 2 6 6 2 3 8 4 9 24 13 7 6 3 8 2 9 2 6 4 15 63 78 9 19 10 3 4 2 3 5 7 24 5 8 10 4 2 2 1 2 9 4 1 3 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 2 1 1 2 3 2 1 5 8 3 2 2 7 5 3 11 9 12 25 17 8 3 1 1 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 s 2H | 70 69 dt 1H J 9 86 | 68 68 dd 1H J 22 86 | 66 65 dd 1H J 9 21 | 37 37 m 7H | 30 29 m 1H | 29 28 m 9H | 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.
Cc1cc(Br)nc(C)c1OC(F)F
ir: 4 4 4 4 4 8 4 4 4 5 7 15 14 6 6 5 4 4 4 6 12 5 5 4 3 4 4 4 4 4 4 4 4 4 15 5 4 5 4 10 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 10 4 6 15 24 6 7 7 25 16 7 6 10 15 21 23 9 18 12 8 51 3 4 4 4 4 4 4 4 4 4 4 3 4 22 3 4 4 3 4 4 4 4 4 6 9 16 6 5 4 4 4 4 4 5 7 9 19 11 8 9 10 6 5 6 4 4 4 5 4 4 6 7 12 5 5 93 5 6 4 4 4 3 4 4 3 3 4 4 24 3 5 21 3 3 5 4 2 3 7 5 100 9 0 3 6 4 2 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 3 4 4 4 4 4 4 4 4 4 8 9 5 4 5 6 5 5 5 4 6 7 6 6 11 11 5 5 8 4 5 5 3 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 72 71 s 1H | 67 66 s 1H | 24 23 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)c2ccnc(Cl)c2)cc2oc(=O)[nH]c12
ir: 1 6 12 37 6 3 1 6 10 20 38 14 12 27 19 6 6 4 2 3 4 4 7 6 6 2 2 3 3 13 11 12 18 10 12 3 3 17 28 27 3 1 1 3 2 1 3 3 3 2 2 3 2 1 2 3 2 1 2 5 2 2 2 3 4 8 16 11 21 22 10 10 7 6 6 8 1 1 2 2 2 1 4 2 1 1 2 6 3 2 2 2 1 1 2 2 1 2 4 4 3 2 2 5 5 3 3 2 3 15 18 2 1 2 2 2 5 14 28 23 3 3 5 7 25 43 18 13 6 5 4 4 10 20 4 1 0 4 4 0 0 3 18 64 5 3 4 6 2 7 11 1 2 5 5 15 10 12 64 100 10 3 4 4 2 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 1 1 1 2 2 1 2 3 2 3 2 6 4 9 17 17 27 9 4 5 4 3 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 7 57 20 2 2 2 1 1 2 2 1 2 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 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; 1HNMR: 93 93 s 1H | 85 85 d 1H J 46 | 77 77 d 1H J 25 | 77 76 dd 1H J 22 46 | 76 76 d 1H J 22 | 75 75 d 1H J 22 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CO)Oc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2)cc(C(=O)Nc2ccn(C)n2)c1
ir: 5 2 2 4 6 7 3 4 3 4 2 4 9 9 9 8 5 3 5 3 2 2 1 4 3 1 3 2 4 5 5 6 2 7 5 4 10 7 4 3 2 1 1 2 5 15 10 3 2 5 6 74 44 16 11 28 12 6 2 4 21 2 5 7 4 25 9 33 11 9 1 1 2 3 2 2 3 4 2 3 3 4 17 3 48 25 31 39 18 18 21 19 6 2 7 3 6 5 6 2 2 1 1 1 2 6 4 1 0 2 5 1 0 1 3 1 0 3 3 5 1 3 3 4 19 8 8 2 1 3 2 3 0 1 1 1 0 1 2 1 1 6 7 3 2 4 16 37 10 13 5 4 5 7 4 5 79 8 3 1 6 16 3 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 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 3 2 1 3 4 7 4 19 48 19 10 5 10 11 9 9 100 23 11 1 1 1 1 1 1 2 2 2 1 3 5 11 14 27 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 95 95 s 1H | 77 76 m 2H | 75 75 m 2H | 73 73 m 1H | 73 72 t 1H J 22 | 71 71 t 1H J 22 | 66 66 t 1H J 23 | 62 62 d 1H J 31 | 46 45 m 1H | 39 38 d 3H J 7 | 38 37 m 2H | 36 35 m 1H | 28 28 s 5H | 14 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2C[C@H]1C=O
ir: 7 5 3 2 2 5 2 2 2 4 15 13 51 18 7 4 3 1 4 2 1 2 1 8 3 2 1 1 2 5 1 0 3 3 1 4 5 0 2 7 17 10 6 2 1 1 1 1 1 1 3 4 7 5 1 1 1 3 1 1 4 4 4 2 2 2 1 1 2 1 2 2 2 3 1 0 0 0 0 0 0 0 1 1 3 1 0 1 0 0 1 3 11 4 1 1 2 2 1 1 1 5 8 7 11 9 7 8 10 5 3 2 1 2 1 6 12 8 11 17 22 11 29 21 2 1 4 7 7 7 10 8 5 1 2 1 6 2 3 1 1 2 0 3 3 5 5 3 7 51 100 15 8 3 1 0 0 0 0 0 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 4 3 1 3 4 1 3 6 4 4 11 10 28 20 12 7 8 5 1 2 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 98 97 dt 1H J 9 66 | 44 43 dddd 1H J 38 49 67 76 | 38 38 m 1H | 35 35 m 1H | 21 20 dddd 1H J 9 37 77 123 | 19 18 dddd 1H J 9 49 61 122 | 15 14 s 8H | 12 11 ddtd 1H J 36 64 73 101 | 11 10 m 2H | 7 6 q 1H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Oc2ccc(N)cn2)c2c1CCC2
ir: 8 16 14 10 20 25 34 17 10 10 8 5 3 5 11 17 9 4 2 4 3 3 2 3 3 5 2 3 3 3 2 4 4 6 15 14 8 5 4 6 5 4 3 3 3 3 3 2 5 3 5 2 29 55 26 8 3 4 3 3 2 1 2 3 2 3 3 4 3 9 3 4 3 2 2 3 2 2 4 18 25 11 7 5 3 3 3 5 4 23 14 2 2 2 3 2 2 2 4 8 4 2 2 2 3 3 10 10 6 4 3 3 4 3 4 2 3 2 2 2 2 2 2 2 3 4 11 4 2 3 3 2 2 2 3 3 3 24 3 3 3 2 3 5 3 3 3 4 6 11 4 9 18 12 18 57 30 13 4 8 4 0 14 12 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 3 4 3 3 3 3 5 5 5 6 20 23 2 3 6 2 2 2 3 2 1 2 2 2 2 2 3 2 8 35 6 2 2 2 2 2 2 3 4 4 100 76 7 5 2 3 2 2 2 3 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 d 1H J 18 | 72 71 d 1H J 88 | 71 70 dd 1H J 19 83 | 69 69 dq 1H J 10 86 | 67 66 d 1H J 83 | 40 40 s 2H | 32 32 t 2H J 64 | 29 28 m 2H | 23 23 d 3H J 11 | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(O)c1c(F)cc(OCC)cc1F
ir: 15 8 1 4 6 2 6 4 11 5 6 4 3 3 2 3 5 4 6 3 3 2 3 4 3 5 1 5 5 3 3 16 4 2 1 2 2 2 4 8 3 3 3 3 2 2 2 2 2 2 2 2 3 2 3 3 2 3 4 2 2 2 3 14 14 33 20 26 19 5 5 3 6 9 7 8 10 6 3 2 3 2 3 8 7 11 69 65 54 100 30 16 19 19 11 26 7 8 6 11 8 3 1 2 2 1 1 2 3 2 3 5 4 5 7 6 6 4 4 8 4 4 4 5 2 4 3 5 5 3 2 1 1 1 2 1 1 2 3 2 1 3 2 7 47 8 8 7 2 2 1 1 1 1 2 10 2 1 1 4 44 16 2 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 2 2 3 2 4 4 3 2 4 8 15 6 22 12 7 26 99 11 9 4 5 4 3 5 64 7 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 66 66 m 2H | 52 51 dt 1H J 44 59 | 47 46 d 1H J 57 | 42 41 m 4H | 15 14 t 3H J 67 | 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.
Cc1cc(-c2ccc(C(F)(F)F)cc2)oc1C(Oc1ccc(C(=O)O)cc1)C1CCCCC1
ir: 3 3 3 3 3 3 3 3 4 4 5 4 7 6 5 5 5 5 6 7 6 25 28 10 5 4 5 5 4 4 3 3 4 4 4 4 3 3 3 3 3 3 3 3 3 4 3 3 3 3 4 3 4 5 6 23 10 6 3 3 3 3 3 3 3 4 4 3 3 9 5 3 4 4 6 8 5 3 9 9 8 4 3 3 3 6 4 4 5 5 4 3 3 3 4 4 4 3 7 5 10 3 3 3 4 3 3 3 3 4 4 6 38 6 7 10 5 5 4 4 4 5 4 5 4 6 6 4 7 4 3 4 3 3 3 3 3 3 3 3 3 4 6 10 4 4 4 4 4 11 14 14 5 6 4 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 4 4 3 3 4 3 3 4 4 9 5 11 46 8 7 5 5 4 2 5 10 9 100 4 0 4 5 3 2 4 4 3 2 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 80 m 2H | 78 77 m 2H | 77 76 dq 2H J 13 108 | 70 70 m 2H | 66 65 s 1H | 51 51 d 1H J 77 | 23 22 dp 1H J 60 77 | 22 21 s 3H | 18 17 ddt 2H J 60 84 130 | 16 15 m 2H | 15 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCSCCN1C(=O)CCC[C@@H]1/C=C/[C@@H](O)CCC1CC1
ir: 6 4 3 3 4 4 2 3 3 3 2 3 13 5 2 3 6 9 10 22 36 31 29 8 7 8 3 3 2 5 4 3 3 3 3 4 8 3 3 4 4 4 3 5 2 2 2 2 7 3 2 2 2 3 2 2 1 2 3 2 1 1 1 1 1 2 1 1 2 2 2 2 5 4 3 2 10 18 20 37 14 2 6 4 4 18 11 31 25 7 1 2 4 4 2 3 2 2 1 3 3 3 2 5 2 2 4 5 4 4 3 3 4 4 3 4 4 3 0 9 11 13 8 6 8 4 5 5 4 7 6 7 6 5 3 3 2 3 2 2 3 3 7 27 3 3 2 3 5 28 8 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 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 2 1 1 1 2 2 2 3 2 3 2 2 6 4 2 5 8 13 6 10 7 3 2 3 4 4 1 23 24 10 100 43 7 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 58 57 dddt 1H J 8 19 64 170 | 57 56 m 1H | 41 40 qdt 1H J 9 51 64 | 40 40 tddt 1H J 10 20 44 62 | 38 37 dt 1H J 63 115 | 37 36 dt 1H J 63 115 | 28 28 d 1H J 51 | 28 27 m 2H | 26 26 t 2H J 64 | 25 23 m 4H | 20 19 m 1H | 19 16 m 7H | 15 14 m 3H | 12 11 hept 1H J 58 | 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.
CCN(c1nc(-c2cccc3cccnc23)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl
ir: 2 3 3 2 2 4 3 2 2 3 6 10 4 3 3 2 2 4 3 3 2 3 3 3 6 5 3 3 4 4 4 3 4 6 5 2 2 3 3 1 7 4 4 2 2 16 17 7 4 3 3 3 7 10 26 7 5 3 4 5 3 3 4 2 3 3 3 3 4 3 3 3 3 3 3 3 3 3 5 3 4 4 3 3 3 11 11 2 3 3 5 5 4 3 3 3 6 3 9 9 4 3 2 2 3 3 3 4 4 3 3 6 12 11 3 3 3 7 7 2 3 2 2 3 8 12 6 3 2 3 3 2 2 3 4 3 3 5 4 38 3 13 11 3 16 30 6 0 4 15 100 20 7 2 4 4 5 57 2 6 3 4 7 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 3 2 3 4 3 3 4 4 5 17 21 5 3 3 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 3 3 4 6 4 17 4 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 91 91 dd 1H J 17 39 | 84 83 d 1H J 96 | 83 83 s 1H | 83 82 dt 1H J 19 86 | 80 79 m 1H | 78 77 m 1H | 77 76 dq 1H J 10 20 | 76 76 m 2H | 72 72 d 1H J 66 | 41 40 q 2H J 83 | 14 14 t 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C#N)c(=O)oc2ccc3ccccc3c12
ir: 0 27 57 26 1 32 68 33 8 39 71 22 7 36 49 22 9 34 49 21 10 37 42 18 15 44 43 14 13 40 40 13 14 42 37 10 19 50 37 9 23 46 38 37 25 48 34 6 27 52 32 5 24 59 63 3 27 53 25 1 28 50 26 5 29 48 23 5 36 49 21 8 37 44 20 12 41 46 17 12 38 53 29 14 39 41 14 15 39 38 31 25 44 35 11 18 44 34 22 30 46 32 7 22 46 43 36 43 51 28 4 30 57 27 7 33 53 28 6 29 49 30 13 35 48 23 9 37 46 21 11 33 42 19 19 61 100 55 26 38 38 17 16 38 37 21 21 39 36 27 55 48 37 28 34 54 35 21 55 45 31 8 23 45 28 6 24 46 28 5 26 47 26 5 27 46 24 6 29 45 23 7 42 69 21 10 31 41 19 11 33 40 18 13 34 38 17 15 36 37 15 16 37 35 14 18 38 33 12 19 40 32 11 20 41 30 10 22 42 29 9 23 44 28 7 25 45 26 6 26 45 25 7 28 43 23 9 29 42 22 10 30 41 21 12 31 39 19 13 33 38 18 15 34 36 17 16 35 35 16 18 37 34 14 19 38 32 14 21 41 32 14 22 40 30 11 24 42 30 13 26 45 33 19 47 63 60 49 63 84 37 12 33 46 27 13 31 41 22 13 30 39 21 13 32 37 20 15 33 36 18 17 34 34 17 18 35 33 16 19 36 32 15 20 37 31 14 21 38 29 13 23 39 28 12 24 40 27 11 25 41 26 10 26 41 25 11 27 40 24 12 28 39 23 13 29 38 22 15 30 36 21 16 31 35 20 17 32 34 19 18 33 33 18 19 34 32 17 20 35 31 16 21 36 30 15 22 37 29 14 23 38 28 13 24 39 27 12 25 40; 1HNMR: 81 81 m 1H | 79 79 m 2H | 76 76 m 1H | 75 75 ddd 1H J 13 71 84 | 74 74 d 1H J 86 | 27 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]nc(C2CCCCC2)cc1O
ir: 1 2 3 2 1 3 6 15 11 4 2 2 3 5 5 18 25 32 27 13 5 8 5 2 1 3 4 1 1 2 2 1 1 3 3 2 2 3 3 5 11 24 19 4 3 4 3 1 4 16 64 100 16 2 3 3 2 3 2 3 3 4 6 4 3 2 2 1 2 4 3 4 3 6 22 19 9 12 7 3 6 11 35 17 11 6 1 1 4 4 12 10 9 6 1 3 11 8 25 23 3 2 4 2 3 4 3 5 3 5 5 13 13 15 9 6 8 3 2 2 3 2 1 3 4 4 2 5 4 2 1 6 6 2 2 3 2 1 2 3 6 4 4 4 6 4 2 3 2 1 2 6 12 24 32 5 3 2 1 2 2 0 2 37 47 4 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 4 3 3 3 3 4 4 4 8 4 4 1 9 40 21 9 3 4 8 5 3 2 2 1 2 2 1 1 2 2 2 2 2 17 34 32 33 29 52 6 5 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 97 96 s 1H | 93 93 s 1H | 66 65 d 1H J 18 | 30 29 pd 1H J 17 61 | 19 18 m 2H | 16 15 m 4H | 15 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)(c1ccc(-c2ccc(C3(C(N)=O)CC3)cc2)cc1)C(F)(F)F
ir: 1 2 2 3 2 3 2 3 2 2 3 4 3 6 6 4 3 18 5 7 6 4 3 2 2 2 2 2 4 4 8 26 11 6 6 3 5 3 2 2 3 6 3 2 5 3 2 2 2 2 4 4 4 4 44 5 2 5 2 1 2 2 3 1 2 2 2 1 3 5 4 3 4 5 4 2 3 3 3 3 2 3 6 3 9 12 19 14 8 10 2 4 5 4 1 5 9 16 4 5 5 7 2 2 2 6 1 1 2 1 1 3 4 2 1 2 2 3 1 2 5 3 1 2 2 2 4 3 4 2 4 2 2 1 1 1 1 1 1 2 2 1 2 2 12 9 5 35 7 2 4 4 7 5 6 5 11 100 14 4 5 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 2 2 2 2 2 9 3 2 7 5 10 34 17 8 3 0 6 6 3 24 4 1 2 2 1 2 1 2 2 4 2 2 1 1 1 1 1 1 1 1 1 3 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 4H | 75 74 m 2H | 74 74 m 2H | 67 66 s 2H | 37 37 q 1H J 34 | 16 15 m 5H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CNCCc2cc(-c3ccnn3C)ccc21
ir: 3 2 3 5 4 5 4 4 11 17 21 8 2 2 2 3 3 3 2 5 6 2 2 5 3 2 2 2 3 8 2 3 4 3 2 5 4 4 8 19 27 34 21 6 7 5 28 100 45 17 10 25 20 17 36 0 6 7 8 5 9 10 4 1 4 6 5 5 8 24 12 4 4 4 4 1 4 4 3 2 2 4 3 3 4 10 24 7 7 4 4 7 5 7 5 8 4 24 14 4 4 3 6 11 7 3 3 2 5 5 3 13 38 49 40 10 9 6 5 9 7 5 8 7 6 7 7 9 9 12 9 13 21 19 18 10 4 3 2 3 2 2 4 26 5 3 3 5 10 52 17 5 4 5 7 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 5 4 3 2 3 4 7 5 6 5 3 3 7 4 8 19 24 12 36 55 39 12 12 5 3 3 4 2 2 2 3 2 2 3 3 7 18 34 39 70 15 5 3 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; 1HNMR: 75 75 d 1H J 33 | 72 72 m 3H | 66 65 d 1H J 33 | 38 38 s 2H | 31 28 m 8H | 26 25 tt 1H J 45 57 | 13 12 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNCCCS(=O)(=O)CCC(F)(F)F
ir: 7 11 9 24 19 13 16 6 0 3 5 3 2 3 5 2 1 2 3 1 1 2 3 1 1 3 3 1 2 4 14 7 3 8 4 8 11 21 10 9 14 19 52 60 22 16 11 11 19 7 8 2 12 12 6 3 8 13 6 5 4 4 5 6 7 8 15 4 20 69 33 10 6 21 6 7 7 12 14 8 6 3 4 4 11 52 61 7 7 11 13 8 8 15 12 7 9 8 8 18 41 30 13 14 22 59 42 74 64 41 28 41 23 15 18 22 11 39 62 33 35 23 20 18 12 22 6 15 6 5 22 24 11 5 5 6 10 9 3 2 3 2 3 3 3 2 2 3 2 2 2 3 3 2 2 3 2 1 1 2 2 1 2 2 2 1 1 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 3 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 3 2 3 3 3 3 3 2 3 5 4 6 5 15 21 24 8 9 10 3 4 5 12 25 55 64 10 6 6 4 3 3 4 3 3 3 3 4 3 4 7 5 8 4 9 11 33 100 27 11 4 4 4 3 3 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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; 1HNMR: 36 35 tt 1H J 40 53 | 33 32 tq 2H J 25 94 | 31 31 t 2H J 99 | 28 27 m 4H | 27 26 qt 2H J 94 142 | 19 18 tt 2H J 67 100 | 12 11 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)CCSc1nc2cc[nH]c2c(=O)n1-c1ccc(OCC(F)(F)F)cc1
ir: 1 1 0 1 1 2 2 1 1 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 1 2 1 2 1 2 9 100 1 5 1 1 1 10 2 1 4 3 1 1 1 6 14 1 1 1 1 0 1 1 1 1 1 3 1 2 1 1 2 1 1 3 1 2 1 1 1 5 2 4 2 1 2 2 2 2 1 1 1 1 1 1 1 1 2 2 1 5 3 3 5 6 11 10 3 3 4 2 1 1 2 3 3 3 3 5 3 1 2 1 1 2 1 3 3 1 42 0 0 1 1 1 2 2 1 1 4 6 1 2 14 5 3 3 13 14 4 1 5 2 2 4 10 1 1 23 1 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 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 1 1 1 0 1 3 2 1 1 1 1 1 2 2 3 3 4 21 6 3 5 9 3 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 3 5 5 2 1 0 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 100 99 d 1H J 62 | 75 74 m 3H | 70 70 m 2H | 65 64 d 1H J 42 | 48 47 d 1H J 130 | 47 47 d 1H J 130 | 37 36 s 2H | 32 31 m 1H | 31 30 dt 1H J 67 130 | 26 25 dtd 1H J 64 72 134 | 21 20 dq 1H J 66 131 | 19 18 dq 1H J 66 129 | 12 11 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C(F)(F)F)nc(Br)n1Cc1cc(Cl)ccc1Cl
ir: 9 3 1 2 7 12 3 22 18 9 27 7 7 3 3 3 2 2 0 2 4 3 2 7 2 1 1 2 3 5 17 14 31 10 7 2 5 5 4 4 3 4 2 2 2 1 1 3 4 3 3 4 4 52 28 1 4 5 5 4 2 0 2 3 4 2 4 12 10 1 3 3 3 3 4 3 2 7 3 2 2 2 6 28 21 8 4 4 0 3 16 10 1 3 3 3 2 17 19 100 19 6 2 2 2 4 21 16 5 9 8 60 12 27 11 5 3 5 3 5 4 3 5 4 4 23 25 26 5 11 5 2 4 5 4 6 4 4 9 7 8 3 2 1 2 3 2 33 4 3 5 17 61 28 4 1 1 3 2 2 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 1 2 4 4 3 3 4 3 1 7 13 10 6 20 76 8 5 5 2 3 2 4 4 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 74 74 d 1H J 74 | 73 73 dd 1H J 25 74 | 71 71 dt 1H J 9 25 | 56 56 d 2H J 9 | 43 43 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO
ir: 2 3 3 2 4 6 11 6 2 3 3 3 3 4 6 4 3 3 6 4 2 24 2 3 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 3 3 3 11 8 4 2 1 1 1 7 13 4 9 15 14 14 5 2 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 2 1 0 2 5 27 100 16 9 4 3 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 55 55 d 1H J 58 | 45 44 dd 2H J 49 55 | 44 43 t 1H J 55 | 43 42 ddd 1H J 54 77 85 | 42 41 dd 1H J 58 84 | 39 38 m 2H | 36 35 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)(C(C)=O)c1cccc(O)c1
ir: 4 2 1 1 2 2 1 2 2 1 2 4 2 2 2 4 2 2 2 2 3 6 3 3 5 4 1 2 1 1 2 1 3 2 1 1 1 1 1 2 1 1 1 1 3 2 4 23 9 3 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 4 4 2 1 3 3 1 0 3 8 4 4 10 18 100 10 1 0 3 2 9 3 2 1 1 1 1 1 1 1 1 2 2 4 4 2 1 1 1 1 1 1 1 2 3 7 2 3 2 4 2 2 2 3 2 4 6 3 4 6 2 2 1 1 3 2 3 2 2 1 3 9 10 7 2 2 1 1 1 1 1 1 4 2 1 2 6 3 1 1 1 4 3 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 3 1 1 2 1 2 2 2 1 2 3 3 3 6 5 5 4 13 23 4 3 2 2 3 2 82 16 2 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 s 1H | 72 71 m 1H | 70 69 ddd 1H J 13 22 75 | 68 67 m 2H | 22 22 s 2H | 21 20 dq 2H J 72 145 | 18 17 dq 2H J 73 145 | 9 8 t 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3ccc4c(c3)OCCN4C(=O)Nc3cc(C)on3)c2cc1O
ir: 20 14 14 23 5 9 1 3 4 5 0 6 7 2 0 3 5 4 3 6 5 3 10 4 3 1 1 4 4 3 1 4 5 2 2 4 3 1 2 6 3 1 4 5 8 6 7 40 16 8 9 6 13 10 7 23 10 3 4 5 3 11 4 5 7 2 27 24 23 18 20 16 49 52 13 13 3 7 10 5 7 11 30 47 5 1 4 5 1 1 5 4 4 6 12 9 1 4 8 16 9 2 3 2 1 5 4 4 2 2 6 5 1 3 6 6 14 3 5 5 1 3 5 3 2 5 6 8 2 4 4 1 0 2 3 1 0 4 5 2 13 5 3 2 11 17 10 40 10 25 6 10 5 16 19 21 49 43 16 88 3 5 2 0 2 4 5 20 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 1 3 2 0 1 3 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 1 2 3 1 0 2 2 1 1 2 3 2 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 2 3 2 2 3 4 3 1 2 3 2 2 4 8 18 10 13 39 65 18 13 9 4 5 8 100 37 12 3 3 2 1 2 3 1 1 3 3 2 5 15 23 10 9 5 4 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 1 2 3 2 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0; 1HNMR: 95 95 s 1H | 86 86 d 1H J 49 | 75 75 s 1H | 74 74 s 1H | 73 72 d 1H J 88 | 69 69 d 1H J 48 | 68 67 dd 1H J 24 88 | 67 67 s 1H | 64 64 d 2H J 23 | 43 42 m 5H | 39 38 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.
O=S(=O)(Oc1cncc(Br)c1)N1CCOCC1
ir: 4 8 10 22 6 30 48 20 4 7 7 16 10 5 3 2 1 2 2 2 3 5 4 2 13 13 3 1 2 2 8 12 18 24 8 3 1 1 1 1 2 10 11 1 2 34 8 1 1 1 7 2 1 2 11 22 4 4 3 2 1 4 8 8 4 6 14 8 17 13 4 32 100 67 7 2 5 15 8 11 74 41 9 3 17 32 34 20 45 12 3 3 13 4 3 3 5 14 16 8 6 4 1 2 3 2 2 14 8 2 3 4 23 10 10 3 8 5 13 4 3 2 1 3 4 2 2 2 2 1 1 5 11 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 4 15 3 2 1 1 8 9 3 2 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 3 2 1 2 1 1 1 2 1 2 5 13 6 9 11 9 2 1 2 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 t 1H J 17 | 83 83 t 1H J 16 | 76 75 t 1H J 17 | 38 37 ddd 4H J 11 55 66 | 35 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)S(=O)(=O)N[C@H]1COCC[C@@]1(O)c1ccc(-c2ccccc2)cc1
ir: 6 7 5 9 0 5 4 4 7 6 4 3 1 2 2 1 1 0 1 1 7 1 1 0 0 0 1 2 1 4 2 3 1 1 1 4 1 0 1 2 5 10 9 15 5 3 2 1 1 14 3 1 3 6 8 5 14 42 8 3 1 2 1 4 1 1 4 9 19 6 1 7 10 1 11 6 4 3 8 2 4 15 3 2 2 1 4 46 8 1 0 1 3 7 2 3 3 6 3 2 1 2 2 7 28 37 8 5 10 2 1 1 2 2 3 5 5 3 2 1 2 3 1 1 1 1 2 2 2 2 7 5 2 1 1 6 1 1 0 1 2 4 26 3 1 2 1 1 2 5 2 1 3 2 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 1 1 2 3 3 1 3 3 2 11 32 11 4 4 2 3 3 6 100 3 1 1 1 1 0 0 0 1 1 1 2 88 46 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H | 76 75 m 2H | 75 74 m 2H | 74 73 m 3H | 60 59 d 1H J 119 | 41 40 s 1H | 40 40 dd 1H J 31 110 | 39 39 ddd 1H J 37 64 114 | 38 37 ddd 1H J 31 59 119 | 37 36 ddd 1H J 37 64 114 | 35 35 dd 1H J 60 109 | 32 30 dq 1H J 80 161 | 24 24 ddd 1H J 37 64 154 | 23 22 ddd 1H J 37 63 154 | 13 12 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(CCN(C)CC(=O)O)cccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1
ir: 7 4 1 4 12 9 3 4 7 4 4 5 9 6 3 5 9 18 12 14 20 40 41 14 10 3 3 6 6 2 2 5 5 6 2 5 4 1 3 10 8 2 10 25 10 15 8 22 6 4 8 6 5 3 9 20 6 1 3 7 3 0 4 6 3 2 7 8 4 2 6 9 3 2 6 7 6 9 14 20 100 17 14 6 3 4 7 5 5 2 6 16 12 8 6 8 3 3 6 5 3 5 14 8 1 3 6 4 2 3 6 3 4 4 7 3 1 4 8 5 1 6 6 3 2 6 8 4 5 6 9 5 3 5 5 2 2 4 7 6 8 5 21 10 8 6 5 3 3 11 5 3 8 6 4 1 2 6 4 1 2 5 3 1 2 5 3 1 3 5 3 0 3 5 3 1 3 5 2 1 3 5 6 2 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 2 3 5 4 1 3 5 4 2 3 6 3 2 3 6 15 5 10 40 19 2 4 5 3 1 3 5 4 8 4 5 2 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 86 86 s 1H | 81 81 d 2H J 21 | 80 79 dd 1H J 21 85 | 75 75 dd 1H J 11 77 | 73 73 t 1H J 78 | 71 71 d 1H J 85 | 71 70 dd 1H J 11 79 | 47 46 hept 1H J 57 | 34 34 s 2H | 29 28 s 4H | 28 27 q 2H J 76 | 24 24 s 3H | 14 13 d 6H J 57 | 13 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1-c1c(C(=O)C(N)=O)c2ccccc2n1-c1ccc(O)cc1
ir: 2 4 3 3 2 2 3 2 1 3 4 4 9 5 4 5 5 6 5 5 13 6 5 11 11 4 5 5 7 3 3 6 6 15 5 4 3 5 3 2 4 3 11 2 15 12 7 1 2 4 3 1 2 11 9 40 5 0 4 3 2 2 2 2 3 2 2 2 4 10 4 3 3 2 6 7 2 3 5 6 40 9 8 6 2 2 7 17 3 6 2 3 3 16 5 2 2 2 2 2 4 2 2 3 1 1 7 2 2 2 2 2 1 9 2 2 5 3 4 3 8 5 3 3 3 3 5 5 4 3 2 1 2 2 2 10 2 6 2 2 1 3 7 2 4 13 5 4 4 14 4 16 13 3 2 9 3 7 53 9 7 2 7 3 2 2 2 2 2 1 2 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 2 2 2 2 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 2 2 1 2 1 1 2 2 2 2 2 1 2 1 2 2 2 2 2 2 2 2 2 3 2 1 2 2 2 2 2 2 4 3 3 4 9 4 11 31 11 9 10 5 2 3 7 41 14 3 2 2 3 2 3 3 5 34 3 4 2 2 2 2 3 3 2 8 3 4 100 18 3 2 1 2 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 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 dd 1H J 15 68 | 78 78 s 1H | 76 76 m 2H | 76 75 dd 1H J 17 62 | 74 73 m 2H | 73 73 s 2H | 69 69 m 2H | 26 25 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.
CNC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cc4)cc(OC)c3[nH]2)S1
ir: 1 5 4 4 1 11 5 2 4 15 14 22 30 43 10 8 8 4 7 4 2 6 3 6 5 27 10 4 10 6 13 8 5 12 9 12 8 27 70 4 5 4 2 2 2 6 8 3 4 7 46 6 5 2 17 58 7 15 5 2 2 3 5 20 16 30 13 98 5 15 3 1 3 4 3 1 4 7 4 1 8 7 49 6 49 11 6 8 31 12 2 4 2 3 5 8 4 3 5 7 15 56 11 3 8 21 44 7 13 5 6 4 5 3 2 3 11 4 5 22 15 29 7 21 55 11 10 5 5 1 19 63 6 2 2 2 2 2 4 10 3 3 7 24 16 14 100 40 8 36 7 3 8 1 2 3 2 1 10 3 4 13 3 22 3 1 1 2 1 0 1 2 1 0 2 2 1 1 2 3 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 3 5 1 2 4 3 3 5 6 4 2 6 5 8 25 10 13 17 36 31 17 14 2 4 5 3 4 2 2 2 1 2 3 2 1 5 9 6 5 5 22 24 18 14 30 20 23 4 3 3 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 95 95 s 1H | 78 78 m 2H | 72 72 t 1H J 22 | 72 71 m 2H | 71 70 d 1H J 22 | 64 64 d 1H J 22 | 60 59 q 1H J 48 | 45 44 dd 1H J 38 101 | 44 43 tt 1H J 38 62 | 42 42 dd 1H J 37 100 | 40 39 s 2H | 33 32 s 2H | 29 29 dd 1H J 62 154 | 28 27 d 3H J 48 | 27 26 dd 1H J 62 154
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(=O)[C@]1(C)COCC[C@@]1(C)C2
ir: 0 11 20 15 9 20 20 8 3 12 17 8 1 13 20 11 8 19 17 10 8 15 15 6 4 13 14 5 5 17 22 17 25 32 14 6 11 16 14 3 34 45 15 4 29 41 16 4 7 16 15 14 36 32 17 18 37 20 20 14 12 26 15 3 49 52 14 6 43 36 16 10 17 20 41 10 16 14 6 6 12 13 7 10 13 16 8 16 17 20 18 8 14 19 63 11 15 12 6 7 13 11 5 23 18 13 12 9 14 11 2 9 14 10 7 11 19 14 17 78 21 36 13 24 22 24 20 19 20 13 3 10 15 27 43 75 31 9 3 14 13 5 4 13 12 4 22 97 53 16 9 27 50 8 16 14 10 3 7 14 9 3 8 14 9 2 7 15 8 1 8 15 8 1 8 15 7 2 9 14 7 3 9 13 7 3 9 12 6 3 10 12 5 4 11 12 5 4 11 11 4 5 11 11 4 5 12 10 4 6 12 10 3 6 12 9 3 7 13 9 2 7 14 8 2 7 14 8 2 8 14 7 2 8 13 7 3 9 13 7 3 9 13 6 4 10 12 6 4 10 11 6 4 11 11 5 5 11 11 5 5 12 11 4 6 12 10 4 7 13 12 8 8 15 14 7 10 19 12 3 9 23 15 14 43 44 37 48 100 27 16 6 11 13 9 5 10 11 8 5 10 12 7 5 10 11 6 5 10 11 6 5 10 11 5 6 11 10 5 6 11 10 5 6 11 9 4 7 12 9 4 7 12 9 4 7 12 8 3 8 12 8 3 8 12 8 3 8 12 7 4 9 12 7 4 9 11 7 4 9 11 6 5 10 11 6 5 10 10 6 5 10 10 5 6 10 10 5 6 11 9 5 6 11 9 4 7 11 9 4 7 12 8 4 7 12 8 4 8 12; 1HNMR: 75 75 d 1H J 27 | 71 71 dt 1H J 9 75 | 69 69 dd 1H J 27 76 | 40 40 d 1H J 113 | 38 38 d 4H J 108 | 38 37 ddd 1H J 35 62 112 | 36 36 ddd 1H J 35 61 110 | 28 28 dd 1H J 9 147 | 26 26 dd 1H J 9 146 | 21 20 ddd 1H J 35 61 143 | 19 18 ddd 1H J 35 61 141 | 13 13 s 2H | 11 11 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCl)Nc1cnc2ccccc2c1Cl
ir: 1 1 2 2 12 3 2 1 1 2 2 1 1 2 5 6 4 2 2 3 1 2 2 1 3 8 9 8 18 5 3 4 3 7 9 10 19 13 10 23 24 8 4 84 16 15 4 6 9 2 25 0 3 6 3 7 5 5 4 1 5 5 14 3 2 3 2 0 2 3 4 18 4 2 3 4 10 2 1 1 2 1 1 1 2 2 6 8 3 2 1 5 8 8 4 8 4 2 3 7 10 4 6 9 4 4 8 3 2 2 1 3 3 9 10 3 3 4 4 4 3 3 2 2 2 2 2 4 4 5 3 2 5 9 16 25 4 2 2 5 92 5 4 4 5 38 13 12 37 6 7 16 100 20 16 5 9 3 2 9 3 2 2 2 5 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 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 4 2 3 4 4 2 2 3 3 4 6 6 7 16 17 11 6 4 3 3 2 2 2 2 2 2 2 2 2 3 2 2 2 4 4 12 21 11 73 48 9 6 5 2 4 2 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 95 95 s 1H | 86 85 s 1H | 81 80 ddd 2H J 14 83 173 | 77 77 ddd 1H J 12 68 81 | 76 75 ddd 1H J 13 69 83 | 38 38 t 2H J 31 | 28 28 t 2H J 31
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2c(Cl)ncnc2OCCO)cc1
ir: 4 2 1 1 1 5 4 1 1 2 1 1 2 1 2 1 0 2 7 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 54 7 1 5 5 2 2 1 1 1 1 2 4 8 13 5 0 1 2 1 0 1 1 0 0 1 3 1 1 3 2 3 7 1 1 1 1 1 1 1 1 1 1 1 7 3 2 28 30 1 6 5 3 4 2 1 2 6 5 2 2 1 1 1 1 3 2 1 0 0 0 1 0 2 2 1 6 4 1 1 1 1 1 1 2 3 2 4 2 2 4 0 0 0 0 0 0 0 0 1 0 0 1 14 2 3 2 1 1 2 2 37 7 2 0 2 100 0 1 0 1 0 0 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 1 0 2 2 5 3 6 15 10 2 1 2 2 6 4 13 33 5 3 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 s 1H | 76 75 m 2H | 74 73 m 2H | 43 43 t 2H J 51 | 38 38 dt 2H J 51 62 | 36 36 m 1H | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C2(N=C1N)c1cc(O)ccc1Oc1ccc(-c3cccnc3F)cc12
ir: 3 4 5 3 6 5 10 5 4 4 5 6 5 4 4 4 5 4 3 3 4 7 4 5 5 17 14 16 16 10 8 4 18 6 17 22 32 15 16 11 10 9 5 6 13 7 6 4 3 4 3 4 8 10 38 17 4 4 2 5 5 3 20 17 6 3 7 10 6 7 5 4 3 2 5 3 2 4 10 7 17 32 45 7 10 5 8 5 10 24 4 2 2 4 3 3 3 3 2 2 5 2 3 2 6 4 2 2 3 2 16 3 2 5 5 5 2 2 7 14 8 7 8 8 5 4 6 7 8 10 27 13 3 4 4 3 2 3 29 12 34 28 5 12 7 15 7 1 46 68 16 24 18 18 20 11 12 1 2 4 3 2 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 5 5 8 12 28 41 13 3 6 3 0 8 100 12 5 3 1 3 3 3 4 6 10 28 6 5 6 3 2 3 3 3 5 15 41 7 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 84 83 ddd 1H J 20 38 51 | 79 78 ddd 1H J 22 38 88 | 76 75 t 1H J 21 | 75 74 dd 1H J 51 86 | 74 74 dt 1H J 20 73 | 71 71 d 1H J 74 | 69 68 m 2H | 68 67 d 1H J 20 | 67 67 s 1H | 64 63 s 2H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2(CCO)CCNC2)cn1
ir: 2 2 0 6 5 3 2 2 2 2 1 1 2 1 1 2 2 3 7 5 4 6 4 2 2 1 1 2 1 2 3 1 1 4 5 3 15 10 5 5 10 3 5 4 5 2 1 3 3 2 3 2 5 9 22 10 3 3 4 5 3 2 5 16 5 4 7 4 4 15 6 6 5 3 3 2 1 2 3 3 2 4 3 5 5 10 30 19 14 13 10 6 4 4 2 3 2 2 2 2 2 2 2 2 3 4 14 6 4 5 17 13 5 19 18 6 6 2 4 2 2 5 5 7 2 4 4 3 2 1 2 2 2 2 1 2 2 66 18 1 1 1 1 1 1 1 1 1 1 7 15 3 2 4 3 2 2 2 1 2 1 13 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 2 2 2 4 6 3 6 11 11 5 2 2 4 3 2 8 6 4 2 2 2 4 3 3 4 6 78 100 6 5 2 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 18 | 75 74 dd 1H J 19 83 | 67 66 d 1H J 83 | 40 39 s 2H | 38 37 dq 1H J 58 115 | 37 36 dq 1H J 58 116 | 34 34 m 1H | 32 31 m 2H | 31 30 m 1H | 29 28 m 1H | 24 23 ddd 1H J 24 42 139 | 22 22 dt 2H J 57 152 | 21 20 ddd 1H J 23 41 141 | 20 19 dt 1H J 56 152
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2c(N)nc3cc(CCC(=O)N4CCOCC4)ccc3c2n1CC(C)(C)O
ir: 4 4 7 3 7 5 3 4 7 6 3 3 4 3 4 8 6 3 5 5 7 10 5 20 4 13 5 3 3 4 15 6 2 3 5 2 6 4 3 9 2 3 4 5 8 6 4 4 2 2 2 2 1 2 5 17 6 5 4 6 33 9 4 9 15 10 9 1 19 5 6 3 17 12 3 3 2 3 3 6 2 8 5 2 4 3 4 1 1 1 2 5 9 7 3 5 3 6 5 13 7 3 9 5 3 15 3 15 9 5 12 12 42 24 14 19 22 10 22 17 11 9 14 18 25 8 20 8 14 20 6 12 4 9 5 2 6 3 2 2 2 8 7 9 6 4 11 3 5 2 10 9 2 7 1 1 2 26 2 0 1 1 1 0 1 35 2 15 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 0 1 1 0 0 1 1 0 1 1 1 0 1 0 0 1 1 0 1 1 0 1 0 1 1 1 0 1 0 1 0 1 1 0 1 1 1 1 1 1 1 0 0 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 2 1 1 1 1 1 1 2 3 2 5 7 8 5 11 16 8 25 8 10 6 7 7 28 71 100 25 25 27 15 12 4 2 4 3 6 23 3 1 1 1 1 1 8 5 2 1 2 1 1 2 69 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1; 1HNMR: 78 77 d 1H J 83 | 72 72 dq 1H J 7 22 | 70 70 m 1H | 65 64 s 2H | 41 40 s 2H | 36 36 dd 4H J 45 56 | 35 35 dd 4H J 45 56 | 35 34 s 1H | 30 29 td 2H J 11 77 | 28 27 q 2H J 71 | 27 26 t 2H J 77 | 13 13 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2cc(Cl)c(Cl)nc2n1-c1ccc(CCN)cc1
ir: 0 2 3 2 1 3 11 7 6 4 8 3 3 3 4 9 6 7 9 7 1 2 4 2 4 11 6 2 1 3 5 10 4 7 4 5 5 3 6 54 55 15 7 12 8 8 7 2 17 16 25 63 24 49 13 13 15 9 3 3 3 3 3 6 5 3 4 19 14 18 10 13 53 50 11 18 6 4 5 5 4 12 17 3 3 3 4 6 6 4 3 3 4 5 1 41 6 2 4 4 3 2 1 2 3 2 1 2 3 2 2 5 12 6 6 12 9 5 4 5 7 11 56 5 37 13 12 13 31 25 26 19 15 59 28 5 15 34 10 18 8 5 3 3 64 12 3 4 8 34 8 19 15 2 2 4 3 2 1 2 2 0 2 4 1 1 2 2 1 1 1 2 1 0 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 3 2 2 5 5 3 2 3 6 2 7 6 10 16 100 62 8 7 2 4 3 5 5 4 8 4 13 26 30 72 12 6 10 10 16 9 62 39 8 8 4 3 2 2 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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; 1HNMR: 84 84 s 1H | 74 74 m 2H | 72 72 dq 2H J 9 73 | 29 28 m 4H | 28 27 m 2H | 27 27 t 2H J 65 | 13 13 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ncccc1NCCOc1ccc(CCCC(=O)O)cc1
ir: 1 2 3 5 2 3 5 6 5 13 13 11 9 7 5 6 10 24 44 25 12 44 100 34 40 5 13 3 4 2 2 2 3 1 1 5 4 6 20 6 12 1 4 3 4 4 2 4 4 2 5 4 4 2 43 11 4 2 5 3 2 0 14 3 2 1 2 1 2 7 1 2 1 2 2 4 5 5 24 25 4 3 2 3 7 7 7 12 1 1 3 3 2 3 2 2 1 3 8 3 1 2 3 1 1 2 4 4 6 3 6 11 7 3 3 1 4 3 6 11 10 9 13 10 7 5 6 9 3 2 4 6 4 3 4 5 63 22 7 4 35 15 8 7 13 6 3 5 30 2 9 21 12 2 2 3 1 1 1 2 1 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 1 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 1 1 1 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 0 1 1 0 0 1 1 1 1 1 1 1 2 5 3 1 2 2 1 0 3 16 14 4 11 35 16 8 3 2 1 2 2 3 18 25 6 1 2 1 1 1 1 1 2 2 1 2 4 32 27 10 4 3 2 13 4 1 1 1 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 dd 1H J 21 41 | 73 72 dd 1H J 40 79 | 70 69 m 3H | 68 68 m 2H | 68 67 t 1H J 55 | 42 42 t 2H J 43 | 37 37 dt 2H J 43 55 | 29 28 t 2H J 84 | 27 26 tt 2H J 9 82 | 24 23 t 2H J 90 | 18 16 m 4H | 15 14 h 2H J 72 | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1ccc(Sc2cccc(NCCCc3ccccc3)c2)cc1
ir: 4 6 13 10 9 10 9 7 7 3 5 5 2 3 3 2 3 8 8 7 2 3 2 4 4 4 1 2 1 1 3 7 1 2 5 1 1 1 2 5 23 8 2 1 2 6 4 14 13 5 3 4 4 5 4 3 42 11 2 1 1 2 1 1 2 2 5 12 6 8 1 1 3 2 7 4 2 2 4 3 1 1 1 1 0 1 4 3 2 3 2 2 16 9 1 2 1 4 4 3 3 7 6 2 1 9 3 2 1 2 3 2 1 1 1 2 2 2 1 5 4 8 5 4 6 3 3 3 3 4 2 4 2 3 2 6 2 1 1 7 12 6 19 5 34 20 85 4 4 4 2 4 24 2 2 5 2 1 1 1 1 18 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 2 2 1 1 2 1 2 2 25 15 19 23 100 34 12 8 5 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 4 3 7 15 28 28 20 2 1 1 2 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 12H | 67 66 m 1H | 66 65 m 1H | 54 53 t 1H J 46 | 42 41 q 2H J 66 | 36 36 t 2H J 9 | 33 33 td 2H J 45 55 | 27 27 tt 2H J 8 75 | 19 18 tt 2H J 54 76 | 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.
O=C(O)c1ccc(-n2cccc2)nc1
ir: 4 4 6 9 7 8 5 5 2 3 5 4 4 4 9 4 9 6 15 34 18 36 100 78 2 3 5 4 9 7 3 3 4 9 13 10 35 49 35 10 11 8 6 4 2 3 2 2 2 2 2 2 3 23 65 13 5 3 3 1 2 2 2 2 2 2 2 2 4 10 19 5 3 2 7 5 27 82 14 3 27 13 4 2 4 5 5 6 12 12 8 6 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 4 26 42 28 6 4 3 4 2 3 18 13 12 0 3 3 1 1 2 4 2 2 7 16 10 24 31 3 8 8 9 21 51 37 21 22 37 16 9 10 8 6 9 15 2 2 6 4 6 75 37 6 6 2 1 1 2 1 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 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 2 1 1 1 2 2 1 1 1 1 1 2 2 2 1 2 2 2 2 2 3 2 2 5 5 21 33 68 35 31 34 45 19 10 3 29 74 54 4 3 1 2 3 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 d 1H J 20 | 82 82 dd 1H J 19 81 | 78 78 d 1H J 82 | 75 74 dd 2H J 31 40 | 63 63 dd 2H J 30 39
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)N1C(=O)[C@@](C)(Cc2noc(=O)[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
ir: 4 3 1 4 7 1 1 1 2 4 2 2 2 6 4 15 1 10 8 3 3 4 3 2 3 5 10 21 30 42 8 38 18 9 29 19 20 5 25 6 4 6 3 4 8 3 7 51 14 10 2 12 10 77 42 10 6 19 5 11 3 1 2 1 2 9 10 8 5 14 3 3 2 1 2 3 5 3 3 2 2 1 2 2 2 4 9 9 21 7 3 4 4 11 4 3 5 6 11 5 3 2 2 6 2 5 6 12 16 3 4 3 3 3 4 7 17 58 15 15 15 7 15 14 23 6 7 11 12 9 20 6 11 6 6 6 7 13 14 15 38 4 2 4 4 8 80 20 34 28 6 2 6 3 17 5 6 42 16 22 16 10 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 4 2 2 2 2 5 6 4 5 4 5 7 6 3 43 34 22 100 38 8 7 7 5 1 1 2 2 2 1 1 1 1 1 1 2 2 2 10 8 4 9 66 59 6 3 2 2 2 2 2 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 s 1H | 74 73 m 5H | 73 72 m 3H | 48 47 m 1H | 36 35 m 2H | 29 28 d 1H J 167 | 26 26 d 1H J 165 | 23 22 dd 1H J 48 137 | 21 20 dd 1H J 75 138 | 18 17 dqd 2H J 62 72 119 | 15 14 dqd 2H J 62 71 121 | 13 13 s 2H | 9 9 td 6H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCOc1cccc2c1c1ccccc1n2Cc1ccccc1
ir: 2 2 1 1 1 1 2 1 1 2 1 1 2 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 2 3 2 2 1 2 1 3 6 5 28 12 6 7 10 4 6 6 16 13 11 2 1 2 1 5 2 1 2 4 29 6 5 6 1 2 1 3 2 3 28 3 6 2 7 30 34 8 4 6 3 3 18 10 2 4 1 1 1 2 5 1 1 3 2 2 1 1 1 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 2 2 13 15 2 2 4 10 7 5 3 5 17 41 46 11 11 5 2 47 5 3 13 7 3 3 7 2 3 4 1 3 3 2 1 1 1 1 15 1 18 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 2 3 6 6 18 85 100 11 5 2 1 2 2 3 2 8 16 3 11 14 21 28 9 2 5 7 0 68 62 3 4 3 1 0 2 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 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 m 1H | 76 76 ddd 2H J 13 37 62 | 74 72 m 7H | 72 71 m 1H | 68 67 dd 1H J 13 75 | 58 57 s 2H | 42 41 t 2H J 41 | 32 31 tt 2H J 40 69 | 18 17 t 2H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCc1ccccc1-n1nc(C(F)(F)F)cc1C(=O)O
ir: 15 7 13 15 8 4 0 7 8 5 3 11 17 7 2 6 9 8 23 38 25 20 43 41 68 9 22 10 3 11 8 9 8 8 9 10 4 12 4 3 6 2 5 23 23 2 3 7 8 2 1 3 2 1 2 3 2 1 3 6 4 1 4 3 2 1 2 2 2 3 2 3 2 4 23 65 16 6 35 21 6 4 11 6 2 3 8 8 6 4 7 3 3 3 4 4 4 4 70 9 1 4 6 2 0 2 4 2 0 2 6 5 0 10 51 43 1 4 8 12 6 8 4 8 4 7 5 4 5 6 9 4 4 12 6 1 3 63 12 20 28 13 13 70 19 15 7 12 10 50 100 5 3 2 2 3 2 3 11 3 4 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 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 2 2 2 3 3 2 2 3 3 2 1 2 3 3 3 4 4 13 10 15 32 28 9 8 13 7 1 3 6 26 40 7 3 2 1 2 3 1 1 3 3 3 5 7 37 26 10 9 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 78 78 q 1H J 17 | 78 77 dt 1H J 12 71 | 75 74 m 2H | 73 73 m 1H | 58 58 t 1H J 49 | 49 48 dd 2H J 8 50 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)c1c(NC(=O)OC)ccc2c1OC(COS(=O)(=O)c1ccc(C)cc1)CO2
ir: 19 13 8 12 6 4 4 4 7 19 11 27 28 7 1 5 4 3 1 3 2 1 1 7 16 15 2 3 6 5 9 11 8 15 31 19 20 12 9 4 5 5 5 43 5 8 13 4 7 6 5 4 7 44 39 21 4 5 1 1 3 3 7 20 37 35 10 16 5 20 8 6 10 3 8 10 3 3 5 2 9 25 4 6 60 15 2 4 11 5 4 7 6 100 29 2 7 2 1 1 2 1 2 4 1 2 11 3 2 1 3 3 6 9 4 3 2 2 3 5 7 4 7 11 30 8 14 3 1 3 4 2 1 2 6 6 1 2 4 5 2 1 1 2 2 5 19 22 45 20 39 66 11 5 6 0 4 2 1 1 11 18 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 3 2 2 1 2 1 7 4 5 11 15 12 29 41 25 23 9 5 5 1 3 3 1 2 2 1 1 1 1 2 1 1 2 2 2 2 10 15 60 13 9 3 1 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 77 77 d 1H J 90 | 76 76 m 2H | 75 74 m 2H | 67 67 d 1H J 92 | 53 52 dq 1H J 9 16 | 52 52 p 1H J 15 | 48 47 tt 1H J 41 51 | 46 45 dd 1H J 49 126 | 45 44 dd 1H J 40 117 | 44 43 dd 1H J 50 127 | 42 42 dd 1H J 41 118 | 30 30 s 3H | 24 24 d 3H J 10 | 21 20 t 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1ccc(F)c(Br)c1)NC1(C(=O)NCCc2c[nH]c3ccc(F)cc23)CCCCC1
ir: 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 3 2 2 3 3 1 3 2 7 6 4 6 3 2 2 1 1 2 7 2 8 6 7 1 12 47 12 7 1 3 4 2 1 3 2 1 1 5 42 1 2 3 1 0 1 2 1 0 2 5 9 0 9 2 2 1 1 1 5 5 2 2 1 1 14 6 4 1 1 1 0 1 2 1 0 1 1 2 1 2 1 1 2 1 2 1 12 4 4 3 0 3 9 3 2 3 2 5 5 3 2 1 1 2 6 3 4 2 3 2 1 2 1 1 1 1 2 4 4 2 1 2 3 8 3 5 6 100 8 2 17 7 9 7 3 2 9 5 5 4 1 0 4 2 1 1 3 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 3 3 2 0 1 2 2 5 9 7 7 38 14 3 5 3 1 2 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 2 14 46 18 29 8 9 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 d 1H J 70 | 80 79 s 1H | 79 79 t 1H J 23 | 77 76 m 1H | 76 75 m 1H | 74 73 m 2H | 73 72 dd 1H J 25 121 | 71 70 m 3H | 66 65 d 1H J 152 | 35 34 m 4H | 21 20 ddd 2H J 55 79 148 | 18 17 ddd 2H J 52 81 147 | 17 16 ddq 2H J 57 82 141 | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)n1cc2c3c(ccc(Cl)c31)C(=O)C(NC(=O)CCl)C2
ir: 7 7 5 8 7 6 8 7 8 7 9 10 8 7 8 11 7 7 8 7 8 11 9 9 12 9 8 12 14 20 25 78 33 20 15 14 16 24 37 24 12 13 10 20 17 66 46 10 7 6 10 10 7 9 30 25 6 5 6 7 7 17 8 7 6 16 7 8 10 5 16 16 7 5 8 7 6 5 8 6 5 5 6 10 8 5 7 6 6 8 6 6 5 6 7 10 7 9 7 6 7 10 10 8 5 11 24 11 8 12 25 9 8 8 7 6 8 8 7 18 22 60 32 11 5 16 48 20 10 8 12 7 7 6 8 0 32 7 6 12 38 68 12 24 49 70 100 34 8 11 8 25 8 9 8 20 7 6 6 7 17 7 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 4 5 6 5 5 5 6 5 5 5 5 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 4 5 6 5 5 5 6 5 4 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 6 6 6 7 7 5 7 9 7 7 10 8 10 12 22 31 35 21 24 51 31 18 31 10 8 6 6 6 6 5 6 7 6 5 7 7 7 9 16 8 7 12 25 47 98 17 7 7 7 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 79 79 d 1H J 77 | 77 76 d 1H J 82 | 75 74 m 2H | 52 51 dt 1H J 55 82 | 41 40 m 2H | 33 33 ddd 1H J 8 54 141 | 30 29 ddd 1H J 8 54 141 | 27 27 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(Cl)cc1C(=O)Cl
ir: 8 5 1 6 8 4 4 6 10 6 3 10 11 4 2 6 9 4 3 4 6 7 6 13 24 22 4 7 6 4 2 5 5 3 4 6 9 7 12 12 6 11 5 8 4 1 8 5 4 1 4 7 11 100 69 16 4 0 3 6 3 2 5 7 7 4 6 8 10 26 7 6 11 10 11 8 5 9 4 6 2 1 5 6 6 19 8 9 6 5 6 5 1 1 5 5 2 2 6 6 2 2 5 7 5 11 6 9 5 16 49 11 4 8 14 9 5 13 33 17 5 5 11 10 4 8 6 2 3 5 6 14 21 9 10 2 1 5 5 1 1 5 5 8 32 65 29 5 5 9 64 13 3 30 9 0 3 6 5 1 2 16 3 0 2 5 3 0 3 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 5 5 5 6 4 2 4 6 4 3 5 24 18 17 35 100 65 3 9 6 3 2 4 4 3 3 4 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 4 4 2 1 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 1 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 2 4 2 1; 1HNMR: 80 80 d 1H J 24 | 75 75 dd 1H J 25 91 | 71 71 d 1H J 90 | 40 40 t 2H J 64 | 18 17 p 2H J 66 | 15 14 h 2H J 69 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CNC[C@@H]2CCCN2)cc1
ir: 1 0 0 0 0 1 1 1 0 1 1 1 1 0 0 0 1 0 1 2 5 2 4 0 1 1 1 0 3 3 3 4 1 1 2 2 3 14 9 39 41 19 12 32 31 10 18 17 9 8 5 4 3 7 8 12 8 4 5 12 13 23 10 6 5 26 27 27 19 39 39 6 15 9 12 9 5 4 2 2 1 0 1 1 1 1 1 2 3 6 4 2 0 1 2 2 0 5 8 7 54 47 12 39 66 25 8 5 5 25 60 14 9 5 4 4 9 5 4 11 5 6 6 5 7 4 4 2 12 4 2 2 7 12 42 52 27 26 7 4 2 2 10 28 38 2 3 1 0 1 1 2 5 1 1 0 0 1 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 0 0 1 0 1 1 1 1 1 2 1 2 2 2 2 2 3 7 13 10 34 26 40 8 3 1 2 2 1 1 1 1 1 1 1 2 2 4 9 34 60 100 91 12 4 6 4 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 73 72 m 1H | 40 38 m 2H | 33 32 dt 1H J 22 53 | 31 31 m 1H | 30 29 ddq 1H J 23 45 133 | 28 28 m 2H | 26 25 ddd 1H J 30 62 130 | 20 19 ddd 1H J 55 62 117 | 18 17 m 2H | 17 16 m 1H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(c1ccc(F)cc1)N1CCCCC1
ir: 7 8 6 7 8 7 6 7 9 8 6 8 10 7 7 11 9 8 8 16 16 6 100 11 0 14 15 7 5 9 9 6 6 9 8 6 6 9 8 8 7 9 7 5 6 9 8 6 7 9 8 8 10 14 40 16 18 11 9 10 7 8 7 6 7 8 6 7 11 11 7 6 7 8 7 6 9 12 21 27 8 15 13 8 8 9 10 8 18 12 9 9 8 9 7 8 12 8 8 10 9 8 6 9 7 7 6 7 8 7 8 8 8 8 7 8 9 8 7 9 9 8 7 8 8 8 6 7 8 7 6 7 8 8 7 7 7 6 6 7 8 7 8 34 9 14 8 13 21 12 8 8 8 8 7 7 7 6 7 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 7 6 6 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 7 7 8 7 7 7 7 8 6 11 9 14 39 13 7 7 7 7 7 8 7 27 49 8 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7; 1HNMR: 92 92 s 1H | 74 73 m 2H | 71 71 m 2H | 45 45 d 1H J 8 | 30 29 ddd 2H J 37 60 122 | 28 27 ddd 2H J 37 61 123 | 17 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nccc([C@@H]3CN(C[C@@H](O)CNCc4ccc5c(n4)NC(=O)CS5)C(=O)O3)c2n1
ir: 3 4 6 6 10 5 7 14 9 19 10 4 6 7 8 15 22 25 13 19 7 11 7 8 5 25 24 16 11 12 26 17 32 1 5 11 17 100 9 7 8 6 6 16 9 2 7 12 15 9 4 28 22 14 23 6 6 21 5 16 4 3 10 3 14 4 7 11 6 3 4 3 5 8 11 3 2 3 3 3 2 8 6 5 14 12 9 14 23 35 25 10 5 5 7 12 3 7 9 6 15 2 4 3 1 2 11 8 3 7 23 55 41 36 1 15 13 6 2 17 28 12 22 12 9 8 11 7 6 7 5 7 10 16 20 68 13 6 8 2 2 3 4 8 80 16 54 8 3 93 30 14 13 44 57 87 22 11 17 8 3 1 2 1 1 0 1 1 1 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 0 0 0 1 1 1 0 1 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 2 2 1 4 4 3 6 2 3 2 3 5 9 21 8 18 33 19 9 6 9 7 17 39 10 9 3 1 1 2 2 2 1 7 6 39 99 51 35 21 12 19 9 18 10 5 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 87 86 d 1H J 51 | 81 81 d 1H J 81 | 77 77 m 2H | 72 71 dt 1H J 8 77 | 70 70 d 1H J 81 | 62 62 ddd 1H J 7 24 42 | 43 42 tt 1H J 52 73 | 42 40 m 5H | 40 39 d 4H J 163 | 38 38 dd 1H J 44 119 | 37 36 dd 1H J 24 117 | 36 35 dd 1H J 53 128 | 34 33 dd 1H J 53 128 | 31 30 ddd 1H J 48 73 130 | 29 28 ddd 1H J 48 74 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCC1CCC(N)CC1
ir: 4 4 4 4 4 4 6 5 7 4 4 6 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 5 6 11 4 4 4 5 5 4 4 4 4 4 5 6 8 6 3 5 9 15 16 46 1 5 6 4 3 5 8 14 8 7 5 4 4 5 6 5 8 13 12 7 8 7 4 4 3 4 4 3 4 4 4 4 5 4 4 3 3 5 4 4 4 6 4 9 12 6 6 7 6 4 6 9 6 4 5 4 5 6 4 5 4 6 5 4 6 5 8 6 5 4 18 34 77 15 11 7 6 4 4 4 4 4 5 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 3 5 7 6 5 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 6 8 5 7 5 4 5 4 4 5 11 9 19 4 4 4 3 4 4 4 3 4 4 4 4 4 6 24 24 19 12 6 4 5 6 0 100 39 14 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 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 3; 1HNMR: 31 30 m 1H | 24 24 d 2H J 46 | 18 16 m 5H | 14 14 m 5H | 14 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(OCC)C(F)(F)c1cc2cc(C=O)ccc2cc1Br
ir: 2 1 11 12 4 2 2 9 5 5 1 39 5 6 5 12 15 3 5 6 2 5 1 3 1 0 0 1 2 5 1 1 2 1 3 4 14 9 3 5 29 17 3 5 1 1 1 2 1 0 1 3 2 5 11 2 4 4 5 8 4 2 1 3 4 25 6 19 16 2 6 8 69 18 15 2 29 18 11 59 34 6 7 3 1 1 1 1 0 1 1 4 1 2 7 5 1 2 2 1 1 2 3 42 30 10 1 4 1 1 1 1 0 2 4 4 3 4 3 2 3 9 4 2 25 1 1 1 1 7 4 1 0 1 1 0 0 1 1 1 2 1 1 2 4 3 5 9 1 13 2 0 0 7 4 0 1 2 15 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 4 2 1 0 1 1 1 1 1 2 2 1 1 11 12 4 14 100 16 5 2 1 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 100 100 s 1H | 84 83 d 1H J 21 | 83 82 t 1H J 22 | 81 81 q 1H J 20 | 80 79 dd 1H J 20 81 | 79 79 dd 1H J 21 81 | 43 42 dq 4H J 66 85 | 13 13 td 6H J 7 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1ccc(OCF)cc1
ir: 1 1 1 1 1 1 1 1 1 1 2 2 4 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 3 4 4 1 1 1 1 1 1 1 1 2 1 2 1 0 1 4 5 10 9 16 4 3 4 12 7 10 8 6 9 0 3 4 4 30 82 39 10 4 2 2 2 3 5 2 5 7 1 1 1 1 3 3 2 1 2 1 1 2 1 1 1 2 1 1 2 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 3 5 4 4 5 5 3 2 2 4 5 3 11 12 6 20 5 4 3 1 2 1 2 1 1 1 1 1 7 5 7 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 2 1 1 2 2 1 2 1 1 1 1 6 14 6 7 5 1 1 1 2 1 0 1 2 1 2 4 6 11 12 15 14 0 1 68 59 37 100 3 3 5 3 2 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1; 1HNMR: 72 72 dq 2H J 9 81 | 69 69 m 2H | 59 58 s 1H | 58 57 s 1H | 46 46 t 2H J 63 | 41 40 tt 2H J 8 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(F)c2c(=O)n(-c3ccnc(Cl)c3C=O)ncc2c1
ir: 4 3 5 5 12 8 7 5 5 7 1 2 4 2 4 5 4 6 4 11 43 9 19 3 7 8 4 5 6 5 4 4 3 13 4 4 8 4 7 3 7 17 2 3 3 9 8 9 12 9 14 4 3 3 3 4 6 7 15 22 12 8 5 3 4 5 11 35 20 5 11 8 4 27 22 6 4 15 4 5 3 1 2 2 3 2 14 16 4 4 4 12 8 4 2 2 3 1 3 3 2 2 1 5 13 3 4 25 15 16 9 4 2 2 3 5 3 13 4 4 5 4 5 11 46 66 11 6 6 3 8 4 9 7 5 20 2 4 4 19 4 3 2 2 10 45 8 11 19 29 5 4 4 1 18 21 4 4 7 65 100 11 4 5 15 17 4 1 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 4 2 1 1 2 2 1 1 2 2 2 4 17 13 23 12 61 42 6 4 8 3 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 85 84 d 1H J 40 | 83 82 s 1H | 77 77 d 1H J 23 | 76 76 d 1H J 40 | 74 73 dd 1H J 22 121 | 14 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc(-c2cccc(O)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1
ir: 1 1 2 1 3 1 1 1 1 1 1 1 1 2 1 0 1 1 1 3 3 6 5 7 1 2 1 4 1 1 2 1 2 1 3 1 1 1 0 0 0 1 1 1 7 18 3 7 6 4 7 12 7 1 1 1 0 0 1 1 1 3 1 0 0 0 1 4 2 3 2 1 1 0 1 0 2 2 8 7 1 1 3 2 2 4 1 2 0 1 1 0 0 0 0 1 1 0 1 0 0 2 6 0 1 2 0 1 1 0 1 1 0 0 1 0 1 0 1 1 1 1 1 1 1 0 1 7 1 1 1 1 1 0 0 0 1 0 10 29 12 9 1 0 0 1 9 5 2 1 2 7 4 28 13 5 3 5 17 66 10 5 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 2 1 1 1 1 0 0 1 0 0 0 1 1 1 1 3 4 3 1 4 3 2 1 1 1 1 8 25 5 1 0 0 1 2 1 0 9 100 16 2 2 2 5 3 5 1 3 1 3 14 57 20 4 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 s 1H | 75 74 m 3H | 73 73 t 1H J 84 | 72 72 s 1H | 72 72 s 2H | 69 68 ddd 1H J 13 22 84 | 26 26 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.
CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)O)cc2Cl)CC1
ir: 10 9 9 11 11 9 10 8 13 14 10 15 13 13 9 8 19 10 13 17 10 37 97 18 13 7 7 7 7 6 7 7 7 7 6 7 6 6 6 6 6 6 7 6 6 6 8 6 6 6 6 6 8 8 7 10 22 6 7 9 6 6 7 7 7 7 6 9 12 7 7 7 6 6 8 18 8 11 21 86 40 17 8 9 21 9 8 7 10 7 6 7 7 6 7 9 11 9 8 8 7 6 7 7 7 6 6 6 6 6 6 7 6 8 10 8 40 7 11 15 21 12 20 13 10 10 8 9 8 13 9 9 11 6 7 7 8 10 7 6 6 7 8 14 8 41 8 6 7 10 22 75 10 6 6 6 6 5 6 6 6 6 11 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 6 6 7 6 6 7 6 6 7 8 7 11 19 12 13 35 16 9 6 5 7 9 7 0 100 87 64 11 5 5 6 7 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5; 1HNMR: 79 79 d 1H J 21 | 78 78 dd 1H J 21 85 | 73 72 dt 1H J 9 84 | 37 37 d 2H J 9 | 34 33 m 5H | 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.
COc1ccc(C2CCCc3cc(O)ccc3C2)c(N)c1
ir: 10 15 15 19 11 6 9 5 3 3 6 8 9 7 4 3 4 5 7 8 5 4 6 4 3 3 2 2 2 1 2 2 2 2 1 3 3 3 4 7 4 1 3 7 2 3 2 3 2 1 2 3 5 12 10 9 6 4 2 3 3 2 2 2 3 4 18 17 13 5 4 3 2 3 2 2 2 2 12 11 44 18 35 3 4 4 3 4 14 12 5 3 8 3 5 2 2 2 2 2 1 5 2 2 1 1 2 4 4 6 2 2 2 4 3 2 2 2 4 2 2 2 3 2 2 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 5 1 1 1 2 2 6 27 11 5 7 6 7 19 24 15 3 1 5 17 23 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 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 2 2 2 2 1 2 1 4 3 1 1 2 2 2 1 2 2 2 1 2 9 4 6 10 90 29 6 3 4 2 3 10 71 94 0 2 1 1 1 1 2 1 21 19 5 1 1 1 1 1 1 1 3 7 71 100 9 6 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 71 70 dd 1H J 7 88 | 70 70 dt 1H J 9 87 | 67 66 dd 1H J 22 86 | 65 65 dt 1H J 9 20 | 65 64 dd 1H J 22 88 | 64 64 d 1H J 22 | 53 53 s 1H | 49 49 s 2H | 38 38 s 2H | 31 29 m 2H | 28 27 ddd 1H J 9 84 146 | 28 26 m 2H | 20 18 m 2H | 18 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCOCCOc1c(-c2ccccc2)nn(C)c1-c1ccccc1
ir: 1 1 1 1 1 2 3 4 3 8 4 3 2 1 1 2 1 1 0 1 1 1 0 1 1 0 1 2 2 7 5 10 10 6 4 3 4 12 7 27 67 39 7 10 11 4 3 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 5 3 3 5 12 12 19 14 7 4 2 4 5 4 1 4 2 6 6 3 1 1 2 4 4 1 0 1 1 2 2 3 1 1 1 1 2 2 2 2 5 6 26 25 13 10 7 3 3 3 7 6 6 6 8 14 11 20 17 13 10 3 3 10 3 3 6 5 8 4 6 8 37 23 2 3 1 2 1 6 14 27 26 8 4 2 2 1 1 13 2 1 1 1 1 0 1 2 1 1 2 1 1 1 1 0 1 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 3 9 8 6 22 13 6 13 6 4 4 6 2 7 31 34 30 45 100 38 11 3 1 4 3 1 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 73 m 8H | 43 43 t 2H J 49 | 40 40 s 2H | 38 37 t 2H J 49 | 35 35 t 2H J 61 | 16 15 tt 2H J 61 76 | 14 12 m 9H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC[C@H]1CCC[C@H](NC2CCCCCC2)CC1
ir: 0 1 3 1 1 1 2 5 2 2 1 1 1 1 0 0 0 0 1 1 1 1 1 2 2 1 1 1 1 1 3 5 5 7 10 17 10 4 12 16 15 9 8 7 20 9 7 3 2 10 7 4 5 5 2 3 4 4 3 2 1 1 2 1 1 3 3 5 8 3 5 11 6 1 2 5 11 5 8 11 7 6 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 2 2 2 2 2 3 2 9 15 6 7 9 7 8 10 13 8 7 6 6 3 15 5 15 7 8 13 9 10 17 9 9 7 7 7 5 5 3 4 3 8 13 19 10 6 3 3 4 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 2 2 1 3 3 9 4 2 2 2 5 4 3 13 17 14 2 2 2 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 8 13 68 100 41 7 3 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 35 33 m 3H | 32 31 m 1H | 28 26 dddd 1H J 61 67 92 128 | 26 25 dp 1H J 59 86 | 17 12 m 27H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S1(=O)CCN(c2ccc(OCC(O)COc3ccccc3)cc2)CC1
ir: 15 18 6 13 10 17 67 24 11 5 5 4 5 4 4 6 5 3 2 6 3 2 3 3 3 2 2 2 2 6 7 4 4 2 9 4 4 3 10 8 35 29 10 4 6 6 6 2 4 40 60 14 7 9 33 19 26 0 5 5 2 1 3 8 4 1 9 7 16 50 30 4 10 10 5 5 6 4 6 3 5 6 15 19 51 48 26 26 98 86 65 7 3 4 8 7 4 3 15 17 9 10 17 72 38 49 35 11 1 3 5 3 1 3 5 3 1 5 9 24 28 5 7 5 3 6 19 11 8 6 13 6 4 5 6 5 3 3 3 2 2 4 9 14 5 6 4 7 6 66 27 36 26 10 11 7 3 4 3 7 4 4 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 4 7 20 11 22 16 10 3 5 8 7 3 34 52 39 100 92 15 8 9 6 2 19 50 9 2 2 3 2 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 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 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 73 73 m 2H | 70 70 m 3H | 69 69 m 2H | 68 67 m 2H | 43 42 m 3H | 40 39 dd 2H J 55 121 | 37 36 m 4H | 34 34 d 1H J 60 | 33 32 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc2oc(-c3ccccc3O)nc12
ir: 21 19 9 6 7 5 2 2 2 10 3 2 10 4 5 8 13 16 9 5 19 46 100 71 20 6 3 5 4 0 1 2 2 1 3 4 22 11 4 5 6 4 13 33 3 1 2 9 10 2 2 1 3 1 1 2 1 0 1 3 4 2 1 1 1 1 1 2 2 1 2 2 2 1 3 8 9 28 47 27 11 13 3 5 2 5 3 6 20 24 3 2 2 2 1 8 3 5 8 2 2 2 6 23 2 4 2 1 1 3 4 1 5 5 2 1 2 3 6 1 0 1 1 1 1 4 11 5 2 1 1 3 5 2 2 1 2 15 5 3 4 3 9 10 6 54 17 43 3 3 2 12 2 2 2 7 2 4 12 1 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 2 5 12 19 54 23 9 3 3 5 16 76 36 13 54 7 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 dd 1H J 13 88 | 78 77 dd 1H J 13 103 | 76 76 dd 1H J 12 79 | 74 74 dd 1H J 79 86 | 73 72 td 1H J 13 80 | 71 70 ddd 1H J 15 78 103 | 70 69 dd 1H J 14 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cc(-c2cnc(O[C@@H]3C4CC5CC3CN(C5)C4)s2)ccn1
ir: 9 23 21 12 10 3 8 5 4 10 6 3 2 2 2 2 3 17 7 10 0 2 3 1 1 3 19 1 2 26 2 2 8 24 3 1 1 1 1 0 1 1 1 1 3 18 16 2 1 1 1 1 1 2 6 23 14 13 3 13 11 4 12 3 10 11 27 6 1 3 9 7 6 69 6 5 2 33 16 14 17 100 16 3 30 32 2 1 2 1 3 1 1 1 1 3 4 76 11 3 2 2 2 2 12 19 11 7 23 11 13 52 5 6 2 2 2 1 1 3 7 9 10 4 13 6 4 4 1 2 1 2 1 1 0 1 1 0 0 1 1 0 0 1 1 3 4 87 6 2 4 1 1 1 1 0 1 1 1 7 69 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 3 5 3 5 3 5 10 9 6 10 26 29 43 41 12 21 4 3 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 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 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 m 2H | 78 78 s 1H | 76 76 m 2H | 48 47 t 1H J 50 | 30 29 dd 2H J 37 112 | 27 26 m 4H | 25 24 tdt 2H J 36 49 60 | 19 18 m 1H | 18 17 m 3H | 17 16 dt 1H J 61 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)OCC1CCCCC1)c1ccc(Cl)cc1
ir: 5 3 1 8 12 3 1 3 3 3 4 7 10 3 4 3 4 3 12 7 15 4 25 8 7 3 3 5 8 8 12 7 3 0 6 20 5 3 6 14 43 64 26 24 8 3 4 3 5 2 1 4 5 3 4 37 5 5 6 3 3 2 2 3 5 8 3 11 17 21 3 8 7 4 6 5 2 1 3 3 6 1 3 3 2 3 6 3 2 4 3 3 1 3 6 27 8 4 7 3 2 16 6 6 19 7 6 7 7 5 7 7 8 5 6 3 6 27 5 12 19 33 12 12 5 10 7 5 3 9 3 2 4 5 3 4 2 4 5 3 4 3 54 41 48 24 10 4 2 15 10 5 17 100 18 2 2 7 6 25 12 7 4 3 55 12 4 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 3 6 5 4 4 6 4 3 5 14 16 16 18 45 59 39 9 8 3 2 4 4 3 1 3 3 3 2 3 4 3 3 3 6 3 6 25 53 46 12 17 21 4 3 3 3 1 1 3 2 1 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 79 78 m 2H | 76 76 dd 1H J 15 82 | 75 75 m 2H | 75 74 m 2H | 74 73 dd 1H J 13 80 | 73 72 td 1H J 14 80 | 65 65 t 1H J 15 | 48 47 dt 1H J 68 90 | 40 40 d 2H J 55 | 36 35 ddd 1H J 13 68 161 | 34 33 ddd 1H J 13 68 161 | 20 19 tt 1H J 55 66 | 17 13 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2nnc(-c3ncc[nH]3)s2)cc1
ir: 26 24 0 12 26 12 2 20 22 12 4 20 23 10 3 16 21 9 26 17 19 10 6 16 19 7 6 32 19 12 37 21 18 6 8 19 17 10 17 48 78 5 11 23 17 1 42 58 14 3 13 21 13 12 31 27 24 1 13 23 18 8 27 25 11 21 23 65 39 100 21 21 11 5 19 40 11 19 19 20 8 6 20 35 10 7 23 22 11 22 23 53 21 48 20 21 5 10 55 30 5 10 21 16 9 13 26 45 1 65 23 14 3 16 22 12 4 13 22 16 9 14 21 11 4 15 21 11 13 20 32 12 5 16 19 12 11 18 18 8 7 16 21 50 31 19 19 10 9 19 17 7 14 23 17 5 10 20 16 27 12 21 14 4 11 21 14 3 12 21 12 3 12 21 12 3 13 21 11 4 14 20 10 5 14 19 10 6 15 18 9 6 16 18 9 7 16 17 8 8 17 17 7 8 18 16 7 9 18 15 6 9 18 15 6 10 19 14 5 11 20 13 4 11 20 13 4 12 22 13 4 13 20 11 5 13 20 11 6 14 19 10 6 15 18 10 7 16 17 9 7 16 17 9 8 16 16 8 8 17 16 8 9 18 16 8 10 18 15 6 10 18 15 6 11 19 14 6 12 20 15 8 13 23 13 20 25 93 43 53 28 20 13 7 14 18 11 16 67 40 11 6 15 18 9 7 15 17 9 8 15 16 8 8 16 16 8 9 16 15 7 9 17 15 7 10 17 14 7 10 18 13 6 11 18 13 6 12 19 13 5 12 19 12 5 12 19 11 6 13 18 11 6 13 18 11 7 14 17 10 7 14 17 10 8 15 16 9 8 15 16 9 9 16 15 8 9 16 15 8 10 17 14 7 10 17 14 7 11 17 13 7 11 18 13 6 12 18 12 6; 1HNMR: 80 80 m 2H | 75 75 m 5H | 73 73 dd 1H J 26 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1OC12CCCCC2
ir: 3 29 13 6 1 7 15 8 3 10 13 5 1 8 13 7 2 9 11 7 6 11 11 3 2 9 9 3 2 9 9 5 5 13 11 2 4 10 8 1 5 12 15 14 8 12 14 1 9 13 7 1 6 23 17 21 14 19 7 0 7 12 6 1 9 12 5 0 7 11 4 1 8 11 6 2 9 10 4 2 9 10 15 5 26 47 6 7 10 9 3 5 11 10 3 4 10 8 3 5 12 8 3 7 13 8 4 11 21 15 25 12 29 12 3 21 18 20 8 18 19 9 6 15 24 22 11 19 19 14 8 9 12 9 6 11 13 5 4 9 9 4 4 9 9 3 4 10 8 3 11 12 17 2 4 10 7 2 5 10 7 1 5 10 6 1 5 11 6 1 6 11 6 0 6 11 5 1 6 10 5 1 7 10 5 2 7 10 4 2 8 9 4 3 8 9 3 3 8 8 3 3 9 8 3 4 9 8 2 4 9 7 2 5 10 7 2 5 10 6 1 5 10 6 1 6 11 6 1 6 11 5 1 6 10 5 2 6 10 5 2 7 9 4 2 7 9 4 3 7 9 4 3 8 8 3 3 8 8 3 4 9 9 4 4 10 8 4 7 11 10 4 8 17 13 15 19 15 12 5 12 16 16 24 100 45 23 4 9 10 6 2 6 10 5 3 7 10 5 3 7 9 5 3 7 8 4 3 7 8 4 3 8 8 3 4 8 7 3 4 8 7 3 4 8 7 3 5 9 7 2 5 9 6 2 5 9 6 2 5 10 6 2 6 9 5 2 6 9 5 2 6 9 5 3 7 9 5 3 7 8 4 3 7 8 4 3 7 8 4 4 8 7 4 4 8 7 3 4 8 7 3 5 8 7 3 5 9 6 3 5 9 6 2 5 9 6 2 6 9; 1HNMR: 30 30 q 1H J 46 | 19 18 m 2H | 17 16 m 4H | 16 14 m 4H | 11 11 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCNC(=O)CCCCC1CCSS1
ir: 3 2 2 2 2 4 4 3 3 3 5 16 7 12 7 7 2 6 8 32 23 54 45 21 36 13 4 9 12 14 13 6 19 32 26 7 21 13 10 6 13 8 6 7 7 4 7 7 7 10 6 5 2 2 3 2 2 3 4 6 2 2 1 1 2 3 2 1 3 3 2 2 2 2 3 7 10 15 63 100 12 11 5 6 5 3 2 1 2 3 3 4 8 4 3 4 3 4 7 9 9 6 6 5 10 9 10 14 18 26 16 13 6 6 11 10 7 4 7 11 22 14 17 11 11 7 6 6 7 7 7 3 3 2 5 5 5 4 3 7 8 14 14 62 37 85 67 28 8 7 4 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 0 1 1 0 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 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 2 4 6 9 12 7 9 4 5 7 6 8 11 26 15 6 3 1 3 2 2 2 3 6 10 57 89 21 8 1 1 2 1 3 2 4 6 12 33 20 24 12 11 6 4 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 59 58 t 1H J 49 | 32 32 ddd 1H J 26 44 125 | 32 31 q 2H J 53 | 31 31 ddd 1H J 26 44 125 | 27 27 tt 1H J 33 42 | 25 24 dddd 1H J 27 34 46 115 | 24 23 t 2H J 86 | 22 21 m 2H | 20 19 dddd 1H J 26 34 44 115 | 17 15 m 10H | 14 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)CC(=O)OC(=O)C1
ir: 3 6 5 3 1 6 8 5 3 3 3 2 0 3 3 2 2 4 5 2 1 3 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 0 1 3 4 6 5 10 6 1 2 3 3 2 3 4 2 1 3 3 2 1 2 4 2 2 8 4 1 1 2 2 2 1 2 3 3 2 4 10 16 9 7 4 2 3 5 6 5 6 5 3 1 3 5 5 6 5 4 4 1 2 4 2 1 2 7 8 5 9 4 3 1 2 3 2 1 2 3 2 4 8 29 13 4 2 3 2 2 3 3 2 4 4 3 2 1 2 2 1 1 3 2 2 2 3 3 100 48 8 3 1 1 3 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 3 2 2 3 3 2 5 5 6 2 4 9 8 6 9 9 14 3 0 2 5 3 3 4 6 17 23 12 3 2 2 3 3 2 1 2 2 2 2 3 3 4 4 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 45 44 s 1H | 29 28 d 2H J 179 | 27 26 d 2H J 178 | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN(CCCC)CCCC1CN(CCC)NN(CCC)C1
ir: 3 1 0 1 1 6 0 2 2 2 2 1 1 2 3 1 1 0 3 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 1 1 1 2 1 1 4 3 1 4 1 2 2 1 100 18 6 2 11 5 3 9 2 2 1 4 3 2 2 3 4 2 1 2 2 8 3 4 10 7 11 7 4 5 3 3 13 4 2 1 1 1 2 1 1 1 3 13 10 6 8 7 7 2 2 5 15 4 2 2 4 1 3 2 5 6 1 2 3 2 1 3 13 2 2 1 1 0 1 1 2 3 3 2 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 1 1 2 3 3 2 1 2 2 3 4 3 6 26 6 2 2 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 12 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; 1HNMR: 52 52 s 1H | 28 27 dd 2H J 53 115 | 26 25 m 6H | 25 24 m 2H | 24 24 t 4H J 65 | 19 18 dqd 1H J 20 55 73 | 16 14 m 13H | 14 13 h 4H J 73 | 10 9 dt 11H J 75 109
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)S(=O)(=O)NC1CC(F)(F)CC1N
ir: 4 3 2 3 4 1 0 1 7 3 1 1 2 1 1 1 1 1 1 1 1 0 0 1 1 1 0 2 4 1 0 1 1 1 1 1 2 1 1 2 2 3 2 3 3 1 1 3 9 4 1 2 1 4 16 2 4 4 15 9 8 10 4 5 5 5 1 3 3 4 37 11 17 11 7 4 4 17 21 6 7 4 8 6 5 1 24 21 3 4 2 1 1 2 2 3 3 6 6 4 13 11 6 5 10 10 4 9 4 3 3 2 7 12 3 3 3 4 5 1 3 8 5 12 6 3 2 3 1 3 6 3 5 8 10 10 2 3 2 0 1 1 1 0 1 1 1 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 1 1 1 0 1 2 1 1 2 1 1 1 1 1 2 2 2 8 2 1 1 1 0 0 0 0 1 0 0 1 1 1 1 3 8 5 7 8 3 4 1 12 79 100 5 1 1 2 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 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 49 48 m 1H | 36 35 m 2H | 26 25 dtd 1H J 37 126 163 | 23 22 m 2H | 22 21 d 2H J 34 | 21 20 dtd 1H J 27 127 180 | 12 11 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)NCc1ccc(Br)cc1
ir: 4 6 7 12 3 3 2 1 1 2 4 3 7 2 0 0 1 0 0 0 0 1 1 1 1 1 2 1 2 0 1 1 1 3 3 3 2 3 2 2 2 5 3 8 12 19 9 21 10 4 11 5 12 31 19 5 8 4 9 4 7 9 11 4 4 2 3 0 8 19 27 45 33 8 4 3 5 4 3 2 3 1 2 2 3 5 13 40 33 28 6 3 15 7 4 3 3 4 5 5 5 9 16 22 41 37 55 16 14 3 8 3 1 2 3 2 0 5 3 3 2 6 18 11 4 3 4 3 3 3 5 5 2 2 2 1 1 1 1 0 0 1 2 1 2 5 18 6 1 0 2 3 2 1 1 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 1 1 2 1 1 0 1 1 1 1 1 1 1 3 7 16 22 15 19 18 27 5 2 4 1 0 2 1 1 0 1 2 1 3 1 1 1 2 3 25 100 52 37 2 2 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H | 74 73 dt 2H J 9 80 | 54 54 t 1H J 75 | 42 42 dt 2H J 9 75 | 30 30 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N(CC1CCOCC1)c1cc(Cl)nn2cnnc12
ir: 15 15 9 16 15 14 4 9 13 18 23 14 22 72 26 18 16 25 3 8 15 15 5 8 10 15 8 8 13 10 5 9 16 19 8 10 16 4 8 22 26 6 4 9 7 3 6 10 6 2 5 10 8 5 5 10 7 3 6 18 5 8 14 10 19 10 25 13 7 7 8 10 11 29 77 22 12 13 10 8 4 3 6 6 3 5 6 6 4 42 14 9 4 4 9 8 7 14 10 7 12 6 13 23 10 13 17 23 43 21 22 16 14 21 22 11 4 35 40 34 100 23 24 8 6 9 12 17 61 46 49 21 7 11 11 30 6 8 9 4 10 7 8 3 2 8 8 55 5 9 16 27 5 8 7 60 33 15 11 0 3 66 88 7 7 5 5 4 5 6 5 3 5 6 4 3 5 7 4 3 5 6 4 3 5 6 4 3 5 6 4 3 6 6 4 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 2 4 7 5 2 4 7 5 2 4 7 5 2 5 7 4 2 5 7 4 2 5 7 4 3 5 6 4 3 5 6 4 3 6 6 3 3 6 6 3 4 6 7 3 4 7 6 3 4 7 7 5 8 14 9 4 9 10 11 13 8 10 15 9 13 22 55 9 9 9 48 71 9 22 9 4 5 7 5 3 5 6 4 3 5 7 4 3 5 6 4 3 6 6 4 3 6 6 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 2 4 7 4 2 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 6 4 3 5 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 5 3 4 6 4 3; 1HNMR: 92 92 s 1H | 71 71 s 1H | 42 41 d 2H J 53 | 37 37 ddd 2H J 33 60 110 | 35 34 ddd 2H J 33 60 110 | 22 21 pt 1H J 53 66 | 19 18 dddd 2H J 33 60 66 135 | 17 16 dddd 2H J 32 60 66 135 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)C(=O)N[C@H]1C=C2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1
ir: 3 18 6 5 1 4 8 6 7 7 8 9 4 6 4 2 3 4 4 8 3 17 3 5 11 5 21 5 3 5 3 2 1 2 2 2 4 2 2 4 11 17 48 25 20 6 14 20 12 4 3 1 2 3 2 1 3 4 9 14 2 4 17 6 6 7 2 3 10 5 2 3 4 1 7 26 12 22 2 1 3 9 0 9 8 21 19 16 11 7 9 2 1 2 1 7 2 4 12 8 5 2 3 3 20 9 4 17 11 4 9 6 3 9 15 5 4 6 6 9 8 11 20 6 4 6 11 7 8 7 5 13 16 29 10 7 4 3 6 5 4 9 40 2 1 54 100 33 14 5 8 23 66 4 4 7 3 3 14 7 2 2 9 2 2 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 2 2 2 1 3 4 5 4 3 3 3 5 5 14 10 8 16 21 31 5 4 4 3 4 2 1 2 1 2 2 2 1 5 2 3 4 2 5 11 29 32 15 35 90 32 27 14 4 3 6 1 3 1 1 2 1 1 2 1 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 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 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 71 70 m 2H | 68 67 q 1H J 46 | 64 63 d 1H J 84 | 59 59 ddt 1H J 9 18 51 | 45 44 m 1H | 39 38 ddd 1H J 22 45 123 | 37 36 dt 1H J 42 123 | 34 33 ddq 1H J 13 38 78 | 34 33 ddt 1H J 23 46 65 | 33 32 q 4H J 70 | 32 31 t 1H J 44 | 31 30 ddd 1H J 8 21 110 | 29 28 ddd 1H J 9 49 112 | 24 23 d 3H J 15 | 20 19 ddd 1H J 40 52 123 | 18 17 ddd 1H J 68 79 123 | 12 12 t 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(=O)Nc2nc3c(OC)cnc(-c4ccccc4)c3s2)c1
ir: 1 2 2 2 2 1 3 1 1 1 2 5 1 1 1 2 2 2 0 2 2 1 1 1 7 19 2 2 1 3 10 8 8 3 2 7 3 8 3 4 13 32 29 17 23 33 47 20 6 13 3 8 5 6 3 9 1 0 1 6 2 1 1 3 2 1 5 1 3 5 2 2 1 1 1 1 2 1 3 2 2 6 2 2 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 0 1 0 2 1 1 1 1 2 3 2 2 1 2 5 27 4 3 3 1 4 9 17 4 2 2 4 30 1 1 3 6 3 16 6 5 22 18 10 18 61 9 9 10 5 0 2 7 1 0 6 2 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 3 4 7 20 100 24 5 4 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 4 4 3 1 6 69 41 5 3 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 1H | 78 77 m 2H | 76 76 ddd 1H J 9 22 81 | 75 74 m 2H | 74 74 m 2H | 73 73 t 1H J 19 | 70 70 ddd 1H J 10 17 79 | 40 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.
OCC#Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1
ir: 4 6 4 3 5 7 3 3 4 4 3 4 4 3 13 6 12 8 4 14 9 5 3 5 8 3 4 4 6 3 3 4 5 4 7 17 12 21 25 78 21 11 10 5 3 6 5 3 3 8 23 97 13 4 6 5 12 5 7 4 5 5 10 7 9 9 5 4 7 4 4 4 11 13 7 4 10 5 5 17 15 11 8 26 30 39 49 66 15 17 12 9 7 8 5 6 13 16 12 5 3 3 3 4 3 4 6 10 38 6 0 14 17 12 5 3 4 5 4 4 10 6 5 8 7 5 7 3 3 3 3 3 3 3 7 4 4 5 3 100 5 4 5 67 42 11 9 5 3 19 89 11 6 2 52 16 4 3 3 4 3 2 3 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 4 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 2 3 3 4 3 3 3 3 3 4 4 6 7 5 4 6 4 7 8 6 13 10 8 4 9 53 7 16 5 12 17 90 17 12 11 6 5 5 5 4 6 4 4 4 7 5 5 3 4 5 3 4 3 3 3 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 75 74 s 1H | 45 44 d 2H J 62 | 39 38 m 4H | 37 36 m 4H | 28 27 t 1H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(c2ccc3nc(-c4ccc(COc5ccccc5)cc4)[nH]c3n2)CC1
ir: 3 3 3 1 2 2 1 4 5 3 3 1 1 1 1 1 1 6 0 1 2 3 5 15 14 23 9 16 7 7 5 8 2 3 3 1 5 3 4 8 32 31 26 6 4 3 2 1 2 2 1 3 7 14 22 1 8 3 2 1 1 2 2 2 1 1 9 6 5 7 3 0 1 2 2 6 5 6 3 9 16 3 1 2 2 0 1 5 17 5 26 8 4 3 1 2 1 3 6 3 1 3 2 2 1 1 2 2 1 1 1 0 3 3 1 4 3 3 3 2 2 2 1 1 2 2 2 3 2 2 1 1 2 3 3 3 2 2 15 3 2 3 19 100 16 7 2 1 3 25 37 8 20 21 8 5 2 1 1 9 4 17 2 5 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 0 0 1 2 2 2 2 1 1 2 2 3 1 8 13 74 97 38 7 3 2 2 2 3 3 1 1 2 1 1 0 1 0 1 0 1 1 2 2 5 11 8 7 6 11 3 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; 1HNMR: 80 80 m 2H | 78 77 d 1H J 79 | 74 74 dt 2H J 9 85 | 74 73 m 1H | 73 73 m 2H | 70 69 m 3H | 51 50 t 2H J 9 | 31 30 m 1H | 30 29 ddd 2H J 68 93 119 | 26 25 ddd 2H J 67 94 117 | 24 23 s 2H | 22 21 dddd 2H J 54 68 95 141 | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCC1CCCC1)Nc1ccc2oc3c(c2c1)CCCCCC3
ir: 4 1 3 2 1 1 1 1 1 1 2 2 2 3 2 2 4 3 2 2 2 2 2 1 2 1 2 3 2 6 6 10 9 5 5 9 19 5 9 5 6 7 3 7 6 6 9 2 3 1 3 3 8 13 17 19 5 7 3 2 1 2 1 2 2 1 3 8 4 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 2 2 2 1 1 1 1 2 3 3 1 9 26 5 4 1 3 7 10 18 8 7 4 3 4 3 4 4 3 2 2 4 2 2 1 1 1 1 1 1 2 1 2 2 1 1 2 2 3 16 3 5 19 43 11 11 16 6 100 2 5 4 3 2 2 1 0 0 2 1 34 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 3 4 3 3 1 3 2 3 14 7 13 7 17 13 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 5 5 22 65 7 5 3 2 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0; 1HNMR: 89 89 s 1H | 77 77 d 1H J 21 | 75 74 dd 1H J 22 84 | 73 72 d 1H J 84 | 29 28 m 2H | 26 26 t 2H J 72 | 24 23 m 2H | 17 14 m 17H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)COc1ccccc1CC#N
ir: 1 7 15 10 4 9 17 11 13 17 13 10 6 10 17 6 2 12 11 6 1 8 10 3 1 9 9 3 4 11 11 3 3 10 9 1 4 12 10 1 7 41 95 50 12 12 7 1 7 14 10 3 7 11 9 2 13 16 8 2 9 18 8 3 8 20 11 6 10 16 9 6 8 11 4 3 8 10 3 1 8 10 5 4 10 9 2 3 12 14 9 7 11 9 4 5 12 10 5 6 12 9 4 8 17 16 12 14 16 9 1 6 11 7 2 10 15 10 9 16 19 14 5 9 12 10 5 11 18 16 15 16 12 5 2 10 17 6 12 9 10 22 15 27 32 19 8 15 18 8 9 11 8 1 4 10 8 1 6 11 8 0 5 11 6 0 5 11 6 0 5 11 5 0 6 11 5 1 7 17 6 1 7 10 4 1 7 9 4 2 7 9 3 2 8 8 3 2 8 8 3 3 8 8 2 3 9 7 2 4 9 7 1 4 9 7 1 4 10 6 1 5 10 6 1 5 10 5 0 5 10 5 1 6 10 5 1 6 9 4 1 6 9 4 2 7 9 4 2 7 8 3 3 8 8 3 3 8 8 3 3 8 8 3 4 9 8 4 5 10 8 5 7 12 9 4 8 12 9 4 9 15 13 16 21 22 65 100 37 17 12 2 7 10 5 2 7 9 5 2 7 9 4 2 7 9 4 2 7 8 4 3 8 8 3 3 8 7 3 4 8 7 2 4 8 7 2 4 9 6 2 4 9 6 2 5 9 6 1 5 9 5 1 5 9 5 1 6 9 5 2 6 9 5 2 6 8 4 2 7 8 4 3 7 8 4 3 7 7 3 3 7 7 3 4 8 7 3 4 8 7 3 4 8 6 2 4 8 6 2 5 9 6 2 5 9 5 2 5 9; 1HNMR: 74 73 ddt 1H J 9 18 76 | 72 72 td 1H J 18 77 | 72 71 td 1H J 12 75 | 70 69 dd 1H J 13 79 | 47 47 s 2H | 39 39 d 2H J 9 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCN(C(=O)CCCCCCCCCCC)C1OC[C@@H](O)[C@H](O)[C@@H]1O
ir: 5 9 8 5 9 18 13 36 41 53 7 18 6 4 4 1 2 4 3 2 2 3 3 3 1 3 2 1 1 2 3 1 6 6 1 4 2 3 1 4 3 5 2 1 3 2 1 1 1 1 2 3 2 2 1 1 1 2 1 0 2 1 1 1 2 3 7 3 2 2 2 6 7 3 2 1 2 3 1 3 4 3 3 2 4 3 10 15 100 33 9 3 3 6 5 1 1 2 2 2 2 2 3 4 4 3 9 6 9 2 3 3 3 4 4 2 2 5 3 4 8 3 3 2 1 2 3 2 2 2 2 1 3 2 1 3 1 2 3 1 0 2 0 1 1 4 3 33 3 2 0 1 1 0 0 1 0 0 0 1 0 0 1 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 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 1 2 1 4 5 3 3 3 2 3 2 2 3 14 11 2 2 2 1 1 1 0 1 1 9 90 49 7 2 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 1 1 0 0 0 0 0 0 0 0 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; 1HNMR: 52 51 d 1H J 77 | 47 46 d 1H J 68 | 46 46 d 1H J 62 | 44 43 m 2H | 39 38 m 2H | 37 36 m 1H | 35 34 dd 1H J 58 113 | 33 32 dt 1H J 67 125 | 31 30 dt 1H J 66 125 | 24 23 m 2H | 16 15 m 5H | 14 12 m 15H | 13 12 s 19H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(SSc2cccc(C)c2O)c1O
ir: 38 62 82 24 9 2 3 3 2 1 3 2 2 4 2 1 2 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 18 16 7 3 2 2 2 3 4 3 4 18 11 3 2 1 1 1 2 2 16 3 2 1 1 1 1 1 0 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 6 6 20 20 20 30 27 3 2 2 1 1 6 18 2 1 1 1 3 4 19 4 1 0 2 3 2 5 2 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 5 22 7 4 17 15 3 1 0 1 1 1 2 3 1 1 1 1 1 1 1 5 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 2 1 1 2 2 3 2 2 6 25 25 2 2 2 2 3 8 100 87 7 2 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 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: 74 73 dd 2H J 11 66 | 72 72 dd 2H J 66 79 | 71 70 dp 2H J 9 79 | 64 64 s 2H | 22 22 d 6H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.