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CC(C)(C)c1cc(OS(=O)(=O)C(F)(F)F)ccc1OS(=O)(=O)C(F)(F)F
ir: 3 5 4 4 5 4 4 4 6 9 10 4 7 1 1 0 0 0 0 0 1 1 0 1 5 2 1 1 0 0 0 0 0 2 1 0 1 0 0 1 1 1 0 0 0 0 0 1 2 1 1 1 5 8 2 28 11 1 1 1 1 1 4 1 0 1 1 4 1 3 32 12 2 1 0 0 0 1 0 1 1 1 1 3 2 100 3 2 4 2 1 0 0 0 0 1 2 16 5 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 2 3 0 0 0 0 1 3 4 1 0 0 1 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 2 4 12 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 72 72 d 1H J 82 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cnc(-c2ccccc2)nc1NCC(=O)N(C)c1ccccc1
ir: 0 1 2 3 1 2 4 2 1 3 2 1 1 1 2 1 6 3 8 2 0 2 3 2 2 4 6 8 3 14 2 4 4 6 9 5 7 16 43 67 24 8 10 5 2 5 3 3 5 2 3 4 5 2 2 1 2 1 1 1 0 0 2 1 1 1 3 4 1 7 6 2 1 0 3 7 3 3 1 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 1 3 2 1 1 1 6 1 3 2 2 2 2 1 1 3 3 3 5 2 3 3 3 4 2 2 5 5 7 5 1 6 5 8 4 22 5 2 2 7 24 67 100 17 10 72 20 9 7 3 6 5 4 2 3 2 1 1 1 6 2 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 2 2 4 12 8 22 10 6 2 1 2 1 1 1 1 1 0 0 1 1 1 0 1 2 1 2 4 7 7 7 25 18 34 15 6 2 2 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 86 85 s 1H | 83 83 dt 2H J 13 91 | 76 75 m 3H | 73 73 m 4H | 72 72 m 2H | 43 43 d 2H J 51 | 33 32 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)c1ccc(CNC(=O)n2ccnc2)cc1
ir: 9 7 5 14 9 25 21 17 4 7 8 13 5 5 3 20 7 7 6 3 5 5 3 2 1 2 4 3 27 21 41 7 7 12 3 2 4 4 9 21 14 16 31 18 9 11 5 2 2 5 4 3 3 9 15 17 34 13 7 2 2 6 24 12 18 7 3 7 8 11 25 2 3 3 2 7 5 5 10 6 3 6 6 9 4 4 10 2 10 55 8 4 4 2 6 9 11 10 7 5 8 5 4 5 12 43 6 5 3 3 0 4 3 8 0 7 13 17 21 23 9 10 6 5 1 4 4 2 3 5 8 6 23 8 9 16 8 2 1 2 5 15 32 72 12 6 7 13 24 9 16 7 9 9 2 3 1 1 1 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 13 4 2 2 4 4 7 11 15 21 38 30 84 100 89 36 12 10 4 2 1 4 2 1 0 1 1 1 0 1 2 3 2 5 7 5 8 14 13 10 3 3 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 t 1H J 16 | 80 79 m 2H | 78 77 dd 1H J 17 41 | 75 74 dq 2H J 9 81 | 74 73 m 5H | 72 72 dd 1H J 17 40 | 53 52 d 2H J 8 | 50 49 t 1H J 54 | 45 44 dt 2H J 8 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1
ir: 1 2 2 1 1 1 3 1 0 2 6 6 2 1 1 1 1 0 0 0 1 1 0 1 2 1 0 0 0 1 1 2 1 1 0 0 0 1 1 1 1 1 1 1 1 2 1 6 2 1 2 3 4 4 2 4 6 1 1 1 4 1 1 1 2 3 6 11 20 13 5 8 8 3 2 1 1 1 1 1 3 9 7 1 13 5 2 2 4 2 1 1 2 8 4 2 2 3 7 4 11 6 5 5 10 9 4 2 1 2 1 2 2 1 1 2 2 2 2 2 1 1 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 0 0 0 0 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 5 7 9 3 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 2 4 5 100 5 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 73 73 m 2H | 60 59 t 1H J 65 | 32 32 d 2H J 64 | 28 27 m 4H | 26 26 m 4H | 24 24 d 3H J 10 | 24 23 s 2H | 18 17 m 2H | 16 15 ddtd 2H J 47 60 73 136 | 15 14 ddq 3H J 24 48 71 | 15 14 m 2H | 14 13 dd 1H J 44 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COC(=O)Cc2ccccc2O)cc1
ir: 3 2 8 5 10 24 17 21 28 17 10 12 29 27 10 18 17 17 6 4 3 3 3 3 3 2 2 1 1 1 1 1 1 2 2 3 4 7 5 4 5 13 16 14 5 3 2 3 5 9 11 18 5 5 7 17 3 3 4 2 3 3 8 2 3 3 1 1 13 27 15 2 2 1 4 5 3 1 6 17 24 4 2 2 2 2 15 36 30 16 21 34 8 2 2 2 0 12 27 8 1 13 32 14 9 6 1 1 2 1 0 1 3 5 3 1 2 2 3 10 12 5 5 3 7 4 5 5 5 3 2 1 1 1 1 1 7 10 3 2 3 7 11 16 28 27 8 15 37 14 5 3 6 2 2 3 1 1 1 2 1 9 6 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 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 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 2 7 6 2 2 2 1 2 2 5 5 8 14 56 50 12 8 20 62 86 100 17 6 4 2 0 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 dt 2H J 8 81 | 72 71 m 2H | 69 68 m 4H | 67 67 s 1H | 52 52 t 2H J 9 | 38 38 s 3H | 36 36 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@@H](OCCOS(C)(=O)=O)[C@]2(O)C(=O)CCl
ir: 9 3 7 3 45 17 20 20 17 25 15 11 12 12 23 11 6 3 5 4 3 3 6 5 4 6 2 9 3 4 7 2 1 13 6 4 5 2 4 2 5 2 3 4 3 4 5 4 14 5 13 40 7 8 11 3 2 3 8 9 2 7 5 3 5 2 6 18 4 14 6 22 19 49 21 37 5 4 24 13 20 16 29 18 8 10 37 47 100 38 15 16 25 11 24 15 5 6 32 21 25 31 37 12 3 14 12 11 9 10 25 18 1 8 5 6 5 6 4 11 18 8 13 14 7 6 6 7 2 3 3 5 4 8 2 4 2 6 2 5 6 92 12 29 4 7 6 1 1 2 2 0 7 18 1 1 1 1 1 0 1 1 1 32 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 2 1 1 1 1 2 3 3 3 5 3 3 7 11 8 4 8 4 4 4 9 43 59 37 57 7 7 4 4 2 2 4 8 27 4 3 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 0 0 0 0 0 0 0 1 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 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: 72 72 dtd 1H J 11 20 104 | 64 63 dd 1H J 13 103 | 61 61 q 1H J 10 | 45 44 dddt 1H J 39 48 57 68 | 44 43 d 1H J 137 | 43 41 m 4H | 40 39 dt 1H J 52 110 | 39 38 m 1H | 38 38 s 1H | 30 30 s 2H | 26 25 dddd 1H J 9 48 75 141 | 24 23 dddd 1H J 8 49 77 141 | 22 22 dd 1H J 39 138 | 22 19 m 5H | 18 18 d 1H J 48 | 17 16 m 2H | 14 14 t 3H J 12 | 12 11 dddd 1H J 22 49 77 123 | 11 10 m 1H | 10 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NC1CSC1
ir: 2 4 1 3 11 7 3 2 2 4 4 12 2 1 1 1 1 8 1 1 1 2 4 0 1 4 5 5 3 10 9 8 35 10 11 4 5 4 2 9 15 98 33 14 25 5 2 0 2 3 1 1 2 4 10 19 8 5 3 1 1 2 2 13 23 18 14 14 3 3 7 10 3 2 2 1 2 3 1 1 1 1 1 1 1 1 6 13 9 5 6 9 7 5 3 9 10 70 9 2 16 6 12 6 10 16 16 2 2 4 16 5 2 1 0 1 2 5 2 3 3 5 12 11 14 16 48 40 36 12 24 22 55 11 4 2 2 49 14 8 9 3 5 6 11 15 6 20 49 19 23 25 9 2 3 8 3 1 4 1 8 1 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 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 0 0 0 0 0 1 0 1 0 1 0 0 1 1 0 0 1 1 0 1 0 1 1 1 1 1 1 1 1 3 5 8 7 3 2 2 5 2 11 37 50 37 100 43 21 4 0 3 2 1 0 1 2 2 1 1 2 2 1 3 1 1 3 12 8 5 28 74 14 11 3 2 2 3 2 2 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 d 1H J 76 | 78 77 dd 1H J 22 77 | 74 74 m 1H | 73 73 m 3H | 71 70 d 1H J 70 | 49 49 dt 1H J 31 70 | 35 34 dq 1H J 22 163 | 32 31 m 3H | 30 29 dd 2H J 32 124 | 25 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(-c2nc3c([nH]2)COCC3(C)C)cc1C(=O)O
ir: 1 1 2 3 4 4 1 5 7 6 4 6 7 20 7 6 9 4 4 18 32 66 54 100 17 13 8 1 2 5 4 1 3 15 3 2 6 7 8 6 9 42 64 43 27 12 3 2 3 5 2 2 3 1 4 2 1 3 1 1 2 2 3 7 3 4 6 3 8 4 8 5 8 6 15 10 67 18 14 57 15 5 4 3 3 1 2 4 4 4 3 6 5 4 6 3 3 2 2 3 1 2 13 9 2 2 7 10 5 6 3 1 2 2 1 2 5 3 2 4 3 5 9 16 26 10 7 3 6 9 7 5 26 9 6 13 7 19 8 24 8 8 9 7 13 13 5 4 2 3 3 5 10 11 12 2 3 1 1 1 1 1 1 2 4 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 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 3 4 11 15 6 13 22 11 2 1 2 1 0 3 6 29 21 67 3 3 3 1 1 1 2 1 1 2 2 1 4 21 24 16 6 4 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 s 1H | 73 73 d 1H J 9 | 48 48 s 2H | 40 40 s 2H | 25 24 s 4H | 24 24 s 3H | 16 16 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc(N2CCOCC2)ccc1OCc1ccccc1
ir: 6 3 2 3 3 4 8 4 5 9 5 5 4 4 5 5 6 6 6 3 5 18 5 5 2 5 5 4 6 4 7 6 14 16 14 7 5 7 4 5 8 14 38 8 13 10 4 3 2 4 8 5 4 3 44 9 4 7 7 3 4 7 3 5 6 11 4 4 4 10 4 3 4 6 3 6 4 4 3 2 2 5 4 3 4 5 4 3 6 4 3 3 4 3 4 4 3 6 7 7 3 3 2 3 4 3 2 3 2 4 2 3 5 3 3 3 3 3 2 3 3 4 3 4 11 3 4 4 4 3 3 2 3 3 3 15 4 14 3 3 2 3 5 29 6 3 3 2 6 8 5 0 9 3 2 5 4 1 100 6 3 3 3 2 6 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 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 3 3 3 4 4 2 2 3 3 3 4 7 11 8 7 28 5 4 4 3 3 3 3 3 2 2 3 2 2 2 2 3 5 2 2 2 2 2 2 3 3 2 2 5 12 19 5 1 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; 1HNMR: 74 74 m 3H | 74 73 m 2H | 73 73 m 1H | 72 71 s 2H | 70 69 m 2H | 51 50 d 2H J 9 | 39 38 m 4H | 34 34 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCN(CC)CCO
ir: 26 31 30 58 32 83 56 25 78 41 49 44 67 75 18 21 15 15 8 5 7 5 3 5 7 10 20 10 9 4 6 5 4 4 3 5 8 9 9 6 4 5 4 5 6 1 9 15 18 11 5 17 17 7 19 38 17 14 15 21 6 6 7 3 10 18 5 4 2 5 3 11 4 11 24 19 56 45 39 8 10 14 60 25 21 82 64 77 36 18 34 61 35 10 10 9 5 5 22 28 18 48 57 8 8 3 6 3 2 2 3 4 2 5 5 5 3 6 12 5 1 4 4 3 6 5 6 4 1 3 4 7 6 11 4 3 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 3 2 1 2 2 2 1 2 3 2 1 12 6 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 2 6 6 3 4 3 2 4 2 4 10 19 21 4 3 2 3 2 1 2 5 45 92 14 2 2 1 2 4 0 80 100 0 3 4 1 0 3 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 3 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 1 1 1 2 1 1 1 2 1 1; 1HNMR: 37 37 d 2H J 25 | 37 36 dt 2H J 42 64 | 35 35 t 1H J 63 | 28 28 t 2H J 42 | 28 27 q 2H J 62 | 26 25 t 1H J 26 | 11 11 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](Cc1ccc(CCCC(C)O)nc1)NC(=O)OC(C)(C)C
ir: 9 6 18 11 6 3 5 3 3 8 14 3 2 1 1 1 2 3 2 1 2 1 1 3 3 3 3 27 8 28 100 34 5 3 9 5 6 10 2 3 2 2 1 2 2 1 1 3 2 1 2 3 3 8 19 0 2 2 1 2 1 4 2 4 2 2 1 2 2 6 3 4 2 2 2 3 2 3 1 2 1 2 1 3 4 4 8 11 25 22 10 13 4 5 3 3 7 3 3 4 1 1 2 1 2 3 1 3 6 12 6 3 3 3 1 3 2 4 14 9 14 6 6 5 3 3 3 2 4 3 6 9 2 2 3 4 4 5 4 7 6 2 2 13 12 30 9 3 4 57 9 2 2 2 2 1 1 1 2 3 50 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 2 2 3 1 1 4 2 3 3 6 25 5 6 13 7 4 3 4 3 1 2 7 3 1 1 2 1 1 1 1 1 1 1 1 1 4 5 6 47 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 84 dt 1H J 9 17 | 73 73 ddt 1H J 9 18 82 | 70 70 dt 1H J 10 83 | 53 53 d 1H J 84 | 45 44 q 1H J 79 | 38 37 m 1H | 37 37 s 3H | 33 32 ddt 1H J 9 79 156 | 31 30 ddt 1H J 9 79 156 | 29 27 m 2H | 19 16 m 5H | 15 14 m 1H | 14 14 s 8H | 12 12 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(Nc2ccc(I)cc2F)n(C)c(=O)c2ncsc12
ir: 14 15 13 7 7 31 19 17 8 10 11 5 6 13 16 14 3 3 10 11 5 11 15 7 6 8 10 3 12 18 22 5 9 27 11 13 17 18 8 6 16 12 11 4 7 8 14 16 8 2 3 5 14 15 14 21 44 28 10 4 5 5 3 2 2 5 23 29 9 17 11 6 7 8 5 4 7 7 11 11 10 15 4 3 9 34 64 7 9 5 3 2 3 3 3 17 8 9 3 2 5 13 10 3 5 4 1 4 36 5 2 4 2 5 6 14 20 11 9 16 25 11 6 5 4 2 5 36 62 14 16 20 12 5 4 17 9 9 2 3 6 3 3 3 4 16 27 49 15 21 23 33 39 6 1 4 3 2 3 36 16 1 10 90 18 1 2 3 2 1 3 11 29 1 2 3 2 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 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 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 1 3 4 2 2 2 6 6 4 16 17 18 83 25 100 15 7 4 3 3 3 2 2 2 2 3 3 3 2 3 5 5 6 11 16 24 30 62 42 38 12 18 8 6 2 3 2 2 2 3 2 1 2 3 2 1 2 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 93 93 d 1H J 37 | 89 89 s 1H | 75 74 m 2H | 73 73 m 1H | 38 38 s 3H | 36 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cc(Cn3cc(C(O)(CC)C(F)(F)F)nn3)ccn2c1-c1ccc(Cl)cc1
ir: 1 7 7 2 1 1 0 1 1 1 1 4 4 7 2 2 1 1 0 2 1 2 1 1 0 0 1 1 1 0 0 1 4 7 4 2 1 1 0 0 1 4 1 1 0 1 1 3 2 4 3 4 6 4 7 4 4 7 2 0 1 2 2 1 4 8 2 2 6 2 1 1 1 1 2 1 2 2 6 8 1 2 2 5 7 10 10 4 9 8 9 18 9 12 8 2 2 6 3 12 6 1 2 8 7 5 3 1 0 1 2 5 29 3 3 5 4 3 3 3 1 3 4 5 3 2 1 1 2 1 1 1 0 1 1 0 0 0 1 3 1 1 1 17 2 20 9 2 5 2 1 3 4 1 6 7 2 5 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 1 1 1 1 1 3 1 2 1 1 1 2 2 2 4 14 5 15 11 15 18 13 17 7 10 13 100 22 5 5 6 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 d 1H J 60 | 78 78 t 1H J 9 | 77 76 m 2H | 74 73 m 2H | 73 72 dd 1H J 9 16 | 70 70 s 1H | 68 68 dq 1H J 10 60 | 63 63 q 2H J 10 | 47 46 q 1H J 33 | 44 43 q 2H J 64 | 23 22 ddddd 1H J 23 49 72 95 154 | 20 19 dtdd 1H J 23 45 94 152 | 14 14 t 3H J 64 | 12 11 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1cnc2c1c(=O)n(CCCC(C)=O)c(=O)n2CC
ir: 3 2 3 2 3 3 1 4 2 2 3 1 3 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 5 6 6 9 7 5 4 4 3 2 1 3 2 2 1 2 6 2 9 4 4 2 1 1 3 6 7 4 3 3 4 4 3 4 3 4 4 1 1 1 1 1 1 2 2 1 1 1 1 3 2 5 6 2 2 2 1 4 7 3 3 3 5 2 2 2 2 3 5 2 5 4 7 23 20 5 7 8 8 12 10 7 9 26 7 5 11 9 11 7 4 4 2 2 4 3 4 2 1 2 1 1 1 2 2 2 1 2 2 4 4 1 1 6 7 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 6 2 5 4 9 5 4 3 7 7 8 10 25 31 50 8 6 7 20 100 4 3 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 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: 76 75 d 1H J 9 | 43 42 m 3H | 42 42 d 1H J 81 | 39 39 t 2H J 66 | 26 26 t 2H J 87 | 22 21 s 2H | 21 20 tt 2H J 66 86 | 19 18 qt 2H J 48 72 | 14 13 m 3H | 9 9 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(SC2CNC2)cc1
ir: 1 1 1 1 0 1 1 1 1 2 2 1 1 1 2 1 1 5 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 4 4 32 5 3 0 1 1 1 0 3 34 16 7 1 1 7 9 1 2 5 44 3 5 69 9 2 1 2 2 23 20 3 5 2 5 3 1 1 8 8 2 2 1 3 3 1 44 4 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 35 3 1 1 1 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 7 23 7 1 1 2 4 1 1 1 5 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 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 2 1 2 2 6 3 1 15 2 23 15 5 14 2 2 1 2 3 1 1 0 1 1 1 1 1 1 1 1 6 100 14 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; 1HNMR: 74 73 m 2H | 73 73 m 2H | 35 35 p 1H J 23 | 33 32 ddd 2H J 23 34 106 | 30 30 ddd 2H J 23 34 106 | 21 20 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NO
ir: 7 6 5 12 4 7 3 3 6 13 17 19 5 6 3 3 1 2 2 3 2 2 1 3 2 2 1 1 4 4 1 0 2 1 3 4 4 52 5 5 6 7 5 8 11 6 5 1 5 6 6 9 24 6 7 3 3 6 10 3 5 4 10 2 5 5 9 0 6 5 4 2 5 13 4 8 8 3 3 2 2 2 2 2 7 12 2 10 2 4 9 8 9 49 9 8 19 25 8 3 2 6 4 5 16 42 25 26 2 8 11 7 16 15 31 18 11 7 27 17 34 17 99 25 22 6 7 5 34 7 17 3 5 1 1 4 2 1 1 2 2 1 1 2 2 2 2 4 37 5 7 9 61 12 2 0 0 1 1 1 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 5 8 5 8 19 12 9 7 13 17 24 10 21 28 15 100 37 11 12 14 78 12 4 6 8 11 61 11 5 2 1 2 2 1 1 1 2 2 18 9 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 9 | 75 74 d 1H J 35 | 40 40 d 3H J 7 | 39 39 dd 1H J 36 58 | 38 37 t 2H J 63 | 35 34 s 2H | 29 28 hept 1H J 58 | 17 15 m 3H | 15 14 m 1H | 14 13 m 2H | 11 11 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1c(C)c(Cc2ccc(S(=O)(=O)CC)c(Cl)c2)c2cc(C#N)ccn12
ir: 6 6 18 31 14 35 10 4 0 5 5 9 14 5 10 5 9 6 5 1 0 4 4 4 2 3 6 3 2 6 5 4 4 8 8 16 30 9 6 4 4 6 5 3 2 7 5 2 3 4 4 4 25 11 29 16 12 12 4 2 10 7 9 6 41 22 8 5 18 8 3 4 8 5 26 7 4 6 5 3 4 7 6 52 18 18 12 8 6 6 7 20 14 18 4 6 7 4 2 10 6 8 5 3 7 10 4 36 12 5 2 6 7 11 3 10 15 12 2 18 8 11 8 6 13 4 5 5 7 11 9 13 8 2 1 3 4 1 7 6 7 4 6 28 26 11 26 14 8 7 5 14 7 5 2 14 9 2 2 3 7 9 3 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 4 1 0 2 11 2 1 2 3 1 1 2 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 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 2 1 3 3 1 3 5 4 2 4 5 6 9 5 8 6 6 4 5 5 12 21 13 13 77 100 48 14 15 11 7 5 3 4 4 2 1 3 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 87 86 d 1H J 56 | 78 77 d 1H J 95 | 76 76 d 1H J 17 | 74 74 dt 1H J 9 20 | 74 73 ddt 1H J 9 20 95 | 71 71 dd 1H J 13 57 | 42 41 q 2H J 66 | 40 39 d 2H J 9 | 37 37 s 2H | 34 34 q 2H J 91 | 23 22 s 3H | 14 13 m 3H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(Oc1ccc(F)cc1)C(=O)NN
ir: 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 2 3 1 1 2 2 3 2 12 26 44 34 13 2 2 2 2 1 1 3 2 2 2 1 6 18 34 15 9 9 32 31 17 29 22 27 6 9 11 7 10 7 4 1 1 2 11 12 5 3 3 2 2 2 6 4 2 3 2 3 13 9 3 2 2 1 2 1 3 4 2 1 1 2 1 1 1 1 1 1 3 1 1 2 1 1 1 1 1 1 1 1 1 1 2 3 5 14 20 12 11 11 12 38 50 19 6 3 2 2 1 1 2 1 2 2 1 30 9 2 24 36 5 8 3 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 2 1 2 5 8 2 7 19 21 11 6 1 2 2 2 1 1 2 1 3 8 42 100 30 9 5 7 3 3 12 38 39 16 9 5 2 1 1 1 2 1 1 2 2 1 1 1 1 1 2 2 2 2 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 t 1H J 35 | 71 70 m 2H | 70 69 m 2H | 36 36 d 2H J 35 | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1ccc(OC)cc1CN(Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C
ir: 8 9 7 9 2 8 10 7 6 8 44 20 8 9 14 10 9 5 7 4 2 10 12 6 3 5 3 5 3 12 5 1 1 4 3 4 2 5 5 4 2 3 4 2 3 6 6 5 3 5 5 9 14 17 19 14 32 30 13 5 6 5 7 5 4 8 11 15 18 4 7 1 3 3 1 1 2 3 1 1 2 2 1 2 3 3 5 5 6 6 3 2 4 7 8 4 12 9 38 60 23 9 8 3 4 4 1 3 4 4 1 14 100 14 6 6 4 7 13 8 15 11 24 29 8 10 19 8 12 4 7 12 8 8 5 8 5 3 1 4 3 5 5 13 9 7 7 7 22 14 30 45 10 4 6 4 2 1 2 3 2 0 12 3 2 1 1 3 1 0 1 3 1 0 1 2 1 0 2 3 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 2 2 3 4 3 3 4 4 4 4 5 6 13 44 14 17 81 31 14 5 3 5 3 4 2 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 76 76 dq 2H J 14 76 | 74 74 dt 2H J 9 73 | 70 70 dt 1H J 9 83 | 67 67 m 2H | 45 44 m 4H | 38 38 s 3H | 37 36 s 3H | 29 29 m 2H | 27 26 dd 2H J 83 89 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N=Cc2ccccc2)nc(OC)n1
ir: 0 1 1 0 0 1 1 1 0 1 1 2 1 2 2 4 0 2 2 0 1 2 3 2 1 4 7 6 7 4 10 5 2 4 3 1 1 1 2 1 17 18 9 1 2 6 12 6 2 6 3 1 1 1 1 1 1 1 1 0 1 5 1 0 1 9 8 33 28 18 9 2 1 1 1 2 2 1 2 1 1 1 1 0 1 1 0 0 1 1 1 7 2 1 0 0 1 1 1 2 3 3 3 3 2 1 1 3 7 4 1 1 1 1 0 1 4 4 8 5 2 1 1 2 2 0 1 3 2 2 1 1 1 1 5 7 2 1 1 2 3 15 23 16 100 20 5 2 2 1 1 1 1 1 5 3 4 65 8 2 1 1 9 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 1 0 0 1 1 0 0 1 1 4 6 8 11 33 15 4 3 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 79 78 m 2H | 74 74 tt 1H J 34 70 | 71 71 m 2H | 62 61 s 1H | 40 40 s 3H | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccncc1N1CCc2ccccc2C1=O
ir: 3 2 0 2 4 3 1 12 24 11 3 3 5 4 5 6 8 10 4 3 3 1 1 3 6 5 21 9 3 1 1 14 17 3 8 4 7 10 3 26 100 24 4 27 14 4 2 2 2 6 3 4 3 1 2 3 2 1 8 4 5 4 2 3 3 4 5 12 3 5 5 9 18 16 10 6 10 1 2 3 2 4 3 2 1 2 16 3 2 33 18 5 2 2 2 2 2 2 2 3 2 15 4 2 2 2 2 2 6 4 2 7 27 12 11 4 0 4 3 2 2 5 4 5 4 25 75 6 3 5 4 15 85 4 5 1 3 5 13 45 3 4 6 23 3 7 6 19 42 2 3 3 6 59 18 41 18 5 3 60 25 4 2 3 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 2 4 2 2 3 4 4 1 3 15 14 2 40 85 43 11 4 6 3 4 3 3 2 2 2 2 2 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 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 1 1 1 2 2 1 1 2 2 1; 1HNMR: 86 86 d 1H J 13 | 81 81 dd 1H J 13 49 | 76 75 m 1H | 74 73 m 2H | 73 72 m 1H | 70 70 m 1H | 41 40 m 2H | 31 31 m 2H | 24 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
ir: 19 20 3 6 10 9 2 3 2 2 3 4 5 1 1 2 1 3 3 7 2 5 3 5 7 6 4 3 3 4 2 6 5 3 5 3 4 2 4 7 13 20 9 4 5 4 2 2 3 2 3 1 2 3 2 3 6 2 1 1 2 2 6 3 10 10 36 17 7 13 5 17 21 15 4 2 4 5 2 24 24 30 23 33 17 16 3 9 7 6 7 31 19 7 11 4 3 2 1 2 2 4 17 5 2 3 2 2 2 1 3 2 2 1 2 4 5 7 8 6 6 4 5 2 2 1 2 2 5 7 5 4 10 9 4 9 28 13 9 6 1 6 9 11 2 4 1 1 5 9 1 2 1 0 1 0 1 1 2 4 3 2 1 1 1 2 1 3 3 4 4 0 3 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 0 1 1 1 1 1 1 0 1 0 0 0 1 0 1 1 1 0 0 0 1 1 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 0 1 1 1 1 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 2 5 4 2 2 3 2 2 2 2 3 7 12 6 8 31 13 27 32 19 19 16 6 5 7 20 100 94 10 3 1 2 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 1 1 1 2 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 22 | 70 69 dt 1H J 9 20 | 59 58 ddt 1H J 78 101 167 | 51 50 m 1H | 50 49 m 1H | 48 47 s 1H | 33 32 dtd 2H J 7 15 77 | 14 14 s 8H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](C(=O)O)CC2)CC1
ir: 1 0 1 1 0 1 1 2 4 4 1 2 12 2 3 2 5 8 0 22 27 100 44 11 11 7 1 1 0 2 1 1 1 1 1 1 1 1 1 1 1 2 1 0 0 1 1 0 1 0 1 1 5 2 3 0 2 1 1 0 0 1 0 0 0 1 1 2 1 1 1 0 1 1 1 1 5 6 8 18 3 7 2 1 0 1 2 3 3 0 0 0 0 1 0 1 0 2 2 2 2 1 2 2 4 2 7 3 5 5 8 4 11 16 11 3 3 1 1 4 4 2 1 4 2 0 1 1 1 2 1 1 1 1 3 1 1 1 1 3 2 9 2 26 8 2 7 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 1 1 1 2 2 2 3 1 2 2 2 5 3 5 17 5 1 0 0 1 0 0 0 0 0 0 11 7 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 21 20 tt 1H J 51 79 | 19 18 dtdd 2H J 49 60 81 130 | 16 11 m 25H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CC1CCOCC1
ir: 2 2 2 3 5 3 6 5 4 9 8 4 4 4 4 5 13 16 1 3 4 1 2 3 33 70 6 3 2 0 1 2 2 1 0 2 2 0 1 2 2 1 2 5 6 5 2 5 4 1 1 4 3 6 5 5 2 2 5 3 3 2 3 3 14 2 6 16 2 2 5 26 18 8 5 2 9 5 3 2 2 1 1 2 0 1 1 2 1 1 11 13 5 7 6 4 1 3 6 3 1 1 4 12 7 8 20 27 19 9 7 2 3 4 6 5 4 6 14 6 13 5 28 13 14 16 7 14 15 7 6 2 5 5 5 12 14 15 15 15 41 100 31 17 10 2 2 3 3 1 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 2 1 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 3 2 11 3 10 5 22 19 13 14 10 4 10 6 23 17 75 28 10 6 6 7 3 4 5 3 3 3 1 1 1 2 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 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: 37 37 ddd 2H J 33 60 112 | 35 34 ddd 2H J 32 60 110 | 24 24 d 2H J 72 | 22 21 s 2H | 20 19 m 1H | 18 17 dtd 2H J 31 60 137 | 16 15 dtd 2H J 33 61 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Nc1ncnc2[nH]ncc12)c1oc(=O)c2ccccc2c1-c1ccccc1
ir: 9 2 4 3 6 8 4 2 0 2 4 2 4 6 3 19 6 7 12 4 2 8 1 2 8 9 5 4 8 3 3 1 3 6 27 13 6 2 3 2 1 9 14 22 15 13 2 2 2 2 23 4 1 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 3 4 1 1 2 3 2 3 6 7 3 1 2 1 2 3 1 2 3 27 1 2 1 1 1 1 1 1 2 1 34 3 3 2 2 1 4 1 1 1 2 2 2 10 4 2 2 7 2 1 2 4 6 4 0 4 2 1 3 1 3 1 3 2 3 2 5 7 74 24 6 2 3 14 2 6 5 30 3 2 8 1 2 5 3 10 11 5 17 18 7 92 14 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 4 3 5 8 13 100 14 9 3 4 2 2 1 1 1 2 1 1 3 1 1 1 1 4 2 1 2 4 21 45 9 11 19 3 7 1 1 1 1 5 1 1 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 89 89 s 1H | 83 83 s 1H | 80 80 m 1H | 76 75 m 2H | 75 75 d 1H J 81 | 75 74 ddd 1H J 31 62 82 | 74 73 m 4H | 73 72 m 1H | 46 45 dq 1H J 67 79 | 14 14 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(C#N)cc3F)C2=O)cc1
ir: 3 6 6 7 3 5 3 2 2 5 5 5 2 3 3 1 1 2 3 2 8 2 2 5 2 3 1 2 2 5 3 2 0 3 3 5 2 5 4 4 7 15 5 6 4 5 6 4 9 1 4 1 5 14 14 1 9 3 3 13 6 3 2 5 2 4 13 20 6 5 2 1 1 1 2 3 5 4 2 2 1 1 3 2 1 2 2 2 13 12 50 4 6 4 0 1 2 2 2 2 5 2 1 1 1 4 4 1 2 1 0 1 2 3 2 1 2 1 1 1 2 2 1 3 7 2 1 1 4 4 1 3 2 3 2 1 1 3 1 1 1 0 1 2 1 6 6 11 19 60 12 14 14 3 8 2 1 1 1 1 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 5 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 2 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 2 1 1 2 3 1 2 2 2 3 5 2 4 12 10 6 3 3 2 5 100 29 5 2 1 1 1 1 1 0 1 2 1 1 2 5 6 34 9 4 5 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 90 90 d 1H J 31 | 77 77 dd 1H J 48 94 | 75 74 m 2H | 73 73 m 2H | 72 72 m 2H | 48 47 m 2H | 46 46 d 1H J 58 | 41 39 m 5H | 14 13 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Oc3cc4ccccc4nc3C(C)=O)ccnc2cc1OCCCO
ir: 4 9 14 11 32 8 15 5 2 4 5 6 5 6 8 7 10 11 15 8 14 14 12 10 5 4 6 9 4 3 4 6 5 4 5 5 6 6 3 8 9 14 48 33 6 12 26 40 33 33 55 11 8 11 4 2 6 5 4 0 14 9 12 2 5 17 3 9 36 71 35 19 19 10 10 23 14 6 5 9 8 11 10 9 22 10 8 27 17 36 24 24 15 27 13 10 14 19 33 5 5 4 1 12 13 42 13 10 5 5 2 4 7 4 12 11 4 7 11 7 5 7 12 7 10 5 4 8 5 10 41 8 6 2 4 4 16 14 3 5 6 4 14 7 5 7 29 31 56 9 8 4 6 24 12 38 45 11 6 67 7 5 4 2 3 3 4 16 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 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 4 3 3 3 4 4 3 3 3 6 3 6 4 4 5 6 10 7 24 18 10 24 100 93 25 9 9 10 9 32 46 7 4 3 4 3 3 2 2 3 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 d 1H J 49 | 82 81 d 1H J 22 | 80 79 m 1H | 78 78 m 1H | 77 77 td 1H J 12 79 | 76 76 s 1H | 76 75 m 1H | 74 74 s 1H | 70 69 d 1H J 48 | 42 41 t 2H J 63 | 39 38 s 3H | 38 37 q 2H J 61 | 28 27 t 1H J 58 | 26 26 s 3H | 21 20 p 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cncc(N[C@@H]2CCc3ccccc32)n1
ir: 1 1 1 2 9 2 6 4 1 7 23 24 13 8 12 20 15 13 19 24 52 49 35 14 32 16 36 23 18 12 12 13 8 23 6 11 10 31 6 3 6 73 16 16 7 2 3 1 2 1 2 2 2 3 4 5 13 4 5 5 6 1 3 4 12 4 5 10 3 3 1 1 2 1 4 1 2 3 6 100 22 5 6 3 2 1 7 7 13 4 2 1 5 1 1 1 3 10 27 7 2 1 1 2 2 2 3 1 5 14 11 9 29 10 4 4 2 1 2 1 6 3 7 19 6 12 13 17 1 3 3 5 5 30 5 2 2 17 2 1 5 1 1 6 6 24 98 11 11 26 3 2 1 10 1 1 1 2 20 1 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 1 1 2 2 1 1 3 1 3 4 4 7 3 49 21 3 2 2 2 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 3 7 19 16 17 43 82 37 3 2 1 1 1 1 1 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 80 80 d 1H J 16 | 79 79 d 1H J 16 | 73 72 m 3H | 72 71 ddd 1H J 28 64 79 | 68 67 d 1H J 84 | 51 50 m 1H | 30 29 dddd 1H J 7 55 73 152 | 29 28 m 1H | 24 23 dddd 1H J 34 56 73 132 | 21 20 ddt 1H J 54 73 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C=CCc2cncn2C)cc1-c1ccc(F)cc1
ir: 2 2 3 14 5 16 8 3 1 3 3 5 8 2 3 5 2 6 6 5 9 6 2 2 2 2 1 1 1 0 1 4 8 3 9 17 13 6 9 7 6 6 4 5 3 2 3 2 7 22 6 2 7 12 21 39 37 11 3 4 4 8 7 10 5 6 5 11 12 42 12 5 8 11 4 6 3 3 1 4 7 2 2 5 10 3 4 1 1 2 6 3 4 1 2 7 2 2 2 1 2 2 3 2 4 3 1 2 7 30 8 7 14 9 6 4 3 5 9 9 27 7 22 18 7 8 5 19 4 3 7 10 5 1 3 3 2 3 3 3 4 3 1 2 0 4 78 11 9 4 29 18 6 1 3 1 1 0 1 1 9 2 2 0 0 1 0 0 14 2 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 5 2 1 1 3 2 3 2 2 4 2 3 13 14 25 37 29 100 56 29 24 2 5 4 3 3 1 1 1 1 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 85 | 79 79 d 1H J 22 | 77 77 q 1H J 11 | 75 74 m 2H | 74 73 m 1H | 73 72 m 2H | 68 68 dt 1H J 9 17 | 66 66 ddd 1H J 9 17 142 | 60 59 dt 1H J 60 141 | 39 39 s 2H | 36 36 d 3H J 7 | 35 34 dt 2H J 11 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2ncc(Cl)cc2C(=O)N[C@@H](C)c2ccc(C(=O)O)cc2)ccc1F
ir: 5 2 2 2 3 1 0 2 1 2 1 2 4 4 4 9 8 15 9 7 10 40 33 6 6 3 3 14 3 5 4 2 2 1 1 1 2 1 1 1 1 1 2 8 1 7 32 7 13 2 3 3 14 11 20 45 6 2 1 2 2 1 1 2 1 2 3 5 7 1 3 1 3 2 6 21 8 11 13 19 4 5 12 5 2 2 2 2 3 3 1 2 2 3 3 2 9 2 3 2 1 1 0 1 1 1 0 0 2 3 5 3 3 2 4 9 9 1 2 3 6 4 6 3 3 2 1 1 4 6 4 1 40 4 1 1 1 0 1 1 7 9 55 16 2 26 32 11 9 8 4 13 7 4 5 28 3 1 1 1 6 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 1 0 0 0 0 0 0 0 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 1 1 1 1 5 1 0 3 4 6 3 8 100 21 6 3 1 1 2 1 1 5 90 5 0 1 1 1 0 1 2 3 1 1 3 1 2 48 17 4 4 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: 88 88 s 1H | 83 83 d 1H J 18 | 81 81 d 1H J 16 | 79 79 m 2H | 77 76 d 1H J 81 | 74 73 m 2H | 70 70 m 2H | 67 67 m 1H | 52 51 dq 1H J 59 81 | 23 23 d 3H J 37 | 15 15 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/C(=O)N1CC(C(C)C)Oc2c(Br)cccc21
ir: 7 5 2 2 4 5 3 3 1 3 4 3 4 2 2 3 4 2 1 2 1 1 4 6 8 5 1 1 2 2 2 2 3 2 4 3 9 11 5 3 12 8 2 2 2 5 6 32 20 1 1 2 1 1 1 3 1 1 1 2 1 1 2 3 2 2 2 3 2 1 1 1 4 4 3 12 5 1 2 2 1 7 12 7 9 29 15 3 5 4 0 2 12 1 1 1 1 3 3 3 6 3 2 4 3 2 0 2 25 4 3 5 2 5 11 9 4 4 11 5 3 6 3 4 4 5 6 8 10 12 7 14 16 7 9 5 4 4 11 5 4 4 3 3 4 13 100 16 4 7 5 2 2 1 1 4 4 1 5 2 1 1 1 1 1 4 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 3 1 1 3 2 2 2 3 3 1 5 8 8 1 15 12 35 53 19 1 3 2 2 1 1 2 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 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 dd 1H J 11 82 | 73 73 dd 1H J 11 75 | 71 71 dd 1H J 75 82 | 68 67 d 1H J 167 | 64 63 d 1H J 167 | 46 45 dddp 1H J 15 31 46 60 | 44 43 dd 1H J 45 119 | 42 42 q 2H J 61 | 41 41 dd 1H J 46 117 | 21 19 pd 1H J 63 71 | 13 12 t 3H J 61 | 10 9 ddd 6H J 15 70 198
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2cc(C(=O)O)c(=O)n(CC=Cc3ccc(Cl)cc3)n2)ccc1F
ir: 2 3 4 1 8 1 3 3 2 2 2 2 1 4 18 29 4 4 4 2 1 1 2 11 50 50 20 14 8 4 19 2 3 5 11 4 3 3 3 2 2 2 1 0 2 2 4 11 5 6 33 1 2 6 16 7 39 9 3 1 2 1 2 2 1 2 1 1 4 3 2 7 2 2 3 12 3 3 100 3 2 3 1 0 1 2 8 7 2 1 2 1 7 8 2 1 2 8 1 0 1 1 11 3 1 1 0 6 7 1 1 1 2 2 3 2 2 4 6 5 2 2 4 4 6 22 6 3 3 2 2 1 1 1 1 1 6 1 8 6 6 9 3 1 13 26 53 27 4 1 3 6 12 22 6 6 3 1 1 1 2 1 5 1 1 0 2 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 2 1 2 1 1 1 1 2 2 5 8 42 31 35 22 24 7 2 2 3 1 1 2 7 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 82 82 s 1H | 76 75 ddd 1H J 22 40 79 | 74 73 m 5H | 71 71 dd 1H J 78 102 | 67 66 dq 1H J 10 141 | 63 62 dt 1H J 49 141 | 47 46 dd 2H J 13 49 | 23 23 d 3H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCNS(=O)(=O)c1ccc(Nc2cnnc3cc(Cl)ccc23)cc1
ir: 2 11 11 11 3 11 15 9 19 19 16 16 6 10 18 16 7 18 12 10 2 13 16 3 6 8 12 4 4 14 9 4 11 19 7 6 7 20 10 2 4 10 7 1 5 11 9 3 8 19 10 3 21 21 42 61 47 43 12 13 18 15 16 19 25 8 9 15 43 27 14 10 18 21 10 40 7 9 6 4 9 7 12 50 34 34 11 11 16 9 3 4 11 14 4 5 14 29 9 9 14 20 18 29 61 40 9 9 13 8 1 7 20 10 16 13 20 10 2 13 15 7 1 10 14 7 4 8 16 8 6 9 10 4 4 10 14 5 2 8 9 35 10 8 9 3 10 17 10 43 17 16 13 5 20 24 9 2 4 8 8 3 5 52 9 4 8 9 5 0 5 10 4 0 5 9 4 0 5 9 4 1 5 8 3 1 6 8 3 1 6 8 3 2 6 7 2 2 7 7 2 2 7 7 2 3 7 6 2 3 8 6 1 3 8 6 1 4 8 5 1 4 8 5 0 4 9 4 0 4 9 4 0 5 8 4 1 5 8 4 1 5 8 3 1 6 7 3 2 6 7 3 2 6 7 2 2 7 6 2 3 7 6 2 3 7 6 2 4 9 6 2 4 9 6 2 5 8 6 3 5 9 8 4 8 15 58 61 17 13 18 3 6 10 5 2 6 9 5 5 9 8 4 3 8 9 5 15 89 100 20 31 62 50 9 7 9 7 3 4 7 6 3 3 7 6 2 4 7 5 2 4 7 5 2 4 8 5 1 4 8 5 1 5 8 4 1 5 7 4 1 5 7 4 2 5 7 4 2 5 7 3 2 6 7 3 3 6 6 3 3 6 6 3 3 6 6 2 3 7 6 2 4 7 5 2 4 7 5 2 4 7 5 1 4 7 5 1 4 7; 1HNMR: 86 86 s 1H | 84 83 d 1H J 85 | 79 78 d 1H J 22 | 78 77 m 3H | 75 74 dd 1H J 22 86 | 74 73 m 2H | 57 57 t 1H J 62 | 33 33 dt 2H J 51 62 | 27 26 q 4H J 69 | 26 25 t 2H J 51 | 11 11 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(/C=C/c1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2[nH]ccc2c1
ir: 1 2 7 31 23 5 4 2 4 3 6 6 3 2 5 2 3 2 5 6 11 31 88 17 14 17 21 7 11 6 3 5 5 6 8 12 4 7 5 24 21 7 4 5 3 2 5 4 3 2 3 12 13 62 42 19 7 0 2 4 3 5 9 13 6 3 5 23 26 5 7 4 2 1 3 4 4 2 13 22 13 12 7 6 1 1 6 4 5 4 6 9 4 3 3 5 1 2 47 24 10 6 15 17 1 14 61 2 5 4 5 9 17 20 15 4 1 3 6 3 5 8 10 9 6 12 12 20 6 5 11 3 4 3 3 2 3 7 14 28 18 30 25 49 9 12 100 6 30 3 16 4 6 3 32 61 22 5 11 1 3 4 4 3 8 5 12 2 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 3 5 6 12 17 26 30 75 66 28 30 27 10 6 4 4 8 2 3 2 1 1 1 2 2 2 3 1 4 8 8 64 41 41 44 16 4 3 3 2 1 1 3 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 100 100 s 1H | 89 89 d 1H J 19 | 87 87 d 1H J 66 | 87 86 dd 1H J 16 48 | 80 79 dq 1H J 13 23 | 79 77 m 5H | 76 75 dd 1H J 22 73 | 74 73 m 2H | 72 72 dd 1H J 31 67 | 66 65 d 1H J 159 | 63 63 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](C)CC[C@H]1OC(=O)OC1(C)C
ir: 5 2 1 3 7 4 12 13 11 3 2 3 3 2 1 2 4 2 3 3 5 4 2 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 1 3 2 1 2 4 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 3 5 2 2 4 5 2 1 2 4 6 7 7 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 2 2 3 3 3 2 4 4 5 4 6 3 3 4 5 5 3 4 9 30 16 25 11 5 3 5 4 3 3 4 6 3 2 7 8 2 2 3 3 1 1 3 3 1 1 3 3 2 5 24 100 21 2 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 2 3 4 3 2 2 3 3 2 4 5 3 4 8 7 16 8 4 4 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 48 47 tdt 1H J 15 29 70 | 20 19 dtd 1H J 70 81 141 | 17 16 dtd 1H J 70 82 141 | 15 14 m 8H | 14 13 m 1H | 13 11 m 2H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)(C)C/C=C(\NC(=O)OCc1ccccc1)C(=O)OC
ir: 19 21 20 31 29 19 19 16 17 17 17 17 16 17 16 17 16 17 16 16 16 18 18 21 23 18 15 17 16 21 19 23 21 19 16 18 16 18 20 19 38 23 21 23 17 23 19 17 18 18 18 17 16 16 16 16 16 16 16 16 16 15 16 16 16 15 28 31 29 24 19 16 19 20 17 16 17 16 18 16 16 16 16 16 17 17 16 16 23 19 28 23 15 15 16 16 17 22 18 16 16 15 16 16 16 16 18 17 16 16 15 16 16 17 17 19 17 17 18 18 20 24 21 18 19 17 17 17 17 16 16 18 19 17 20 34 18 16 14 23 28 0 100 33 13 22 23 14 20 68 18 18 16 17 17 15 15 17 19 21 19 18 16 15 15 17 16 14 15 17 15 14 15 16 15 14 15 16 15 15 15 16 15 15 16 16 15 15 16 16 15 15 16 16 15 15 16 16 15 15 16 16 15 15 16 16 15 15 16 16 15 15 16 15 15 15 16 16 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 16 16 15 15 16 16 15 15 16 16 15 15 16 16 15 15 16 16 15 16 16 16 15 16 18 19 16 16 17 22 17 18 28 32 26 31 50 34 25 20 18 21 16 17 17 16 16 16 16 15 15 16 16 15 15 16 16 17 21 20 22 57 30 17 16 15 15 16 16 15 15 16 16 15 15 16 16 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 16 16 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15 15 16 15 15; 1HNMR: 74 73 m 5H | 72 71 s 1H | 64 63 t 1H J 46 | 58 57 dddt 1H J 9 20 112 166 | 52 51 s 2H | 51 50 dd 1H J 23 166 | 49 48 dd 1H J 23 113 | 38 38 s 2H | 21 21 dd 2H J 9 46 | 10 10 d 6H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(=O)n(-c2ccc(Cl)cc2)c(=O)[nH]1
ir: 1 0 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 1 2 1 1 2 1 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 1 1 4 1 3 2 20 100 3 2 1 1 1 1 1 3 39 2 2 0 1 1 0 0 2 1 7 0 1 1 1 2 0 1 0 0 2 1 1 0 1 4 1 0 0 0 0 1 1 1 29 0 1 0 0 0 0 1 1 1 0 0 0 0 0 1 1 8 1 0 0 1 1 0 0 0 0 0 0 0 1 0 1 0 0 1 2 1 6 2 2 5 0 0 0 0 0 0 0 0 1 1 3 17 3 1 1 1 1 8 3 1 1 1 4 0 1 0 1 4 4 22 11 9 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 13 6 3 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 2 3 7 7 4 4 16 7 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 m 2H | 74 73 m 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=NCCc2[nH]c(-c3cccc4nc(C)c(NC(C)(C)C)nc34)cc21
ir: 3 3 3 1 3 2 1 1 3 8 0 4 10 4 0 7 5 9 4 5 6 2 1 1 1 4 7 10 4 2 7 10 5 3 2 2 7 5 4 13 8 1 5 5 20 100 11 16 10 8 7 1 1 2 6 2 2 1 1 1 5 3 3 6 1 2 1 3 2 1 4 2 4 1 2 9 5 5 4 2 1 2 1 1 1 2 1 1 1 0 1 2 2 19 22 2 2 3 16 3 3 2 7 10 5 13 4 2 2 15 2 1 1 1 7 13 6 15 13 33 11 9 12 6 6 4 3 10 1 8 4 7 48 9 2 3 2 1 1 25 3 1 19 10 4 4 35 19 12 5 3 2 3 73 6 2 1 12 1 0 0 1 1 3 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 1 1 1 1 1 0 1 1 1 3 4 7 8 8 4 19 22 15 7 3 2 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 2 6 7 11 28 32 26 12 14 3 3 2 2 2 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; 1HNMR: 98 98 s 1H | 80 79 m 2H | 78 77 t 1H J 86 | 74 73 s 1H | 61 61 s 1H | 42 42 m 2H | 40 39 s 3H | 28 28 m 2H | 24 24 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.
C=Cc1cc(C(=O)OC)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
ir: 3 6 9 4 1 2 2 1 1 1 1 1 2 1 1 0 1 0 2 7 12 1 1 0 0 2 0 2 3 3 1 1 2 4 1 1 1 1 4 17 12 3 1 1 1 1 1 1 0 1 1 1 2 3 9 51 17 25 4 2 1 1 5 3 8 18 9 15 3 14 2 6 4 1 0 2 1 1 0 0 1 1 0 2 2 2 4 2 3 5 1 1 1 0 0 0 1 0 0 1 2 4 2 5 2 0 0 0 1 0 1 5 0 0 0 0 0 1 6 8 16 4 3 7 4 4 1 1 0 14 2 2 1 0 0 1 3 16 12 54 25 5 6 9 54 4 6 26 4 15 11 8 12 8 7 9 4 1 1 2 3 5 26 9 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 8 1 2 5 10 12 30 100 37 2 3 8 4 6 4 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 m 3H | 73 72 m 1H | 72 71 m 2H | 71 70 m 4H | 59 58 dd 1H J 40 163 | 57 56 dd 1H J 40 108 | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CNCc2cccc(Oc3ccc(C4CCCCC4)cc3)c2)cc1
ir: 8 7 5 10 6 6 5 4 11 6 6 4 7 8 17 24 9 7 5 8 5 6 6 10 4 7 7 6 6 6 7 5 11 9 7 9 7 9 11 5 7 10 15 22 9 16 23 90 15 22 10 7 7 12 34 22 20 20 10 11 5 6 15 21 7 7 11 11 22 8 8 5 7 5 5 10 5 5 10 5 4 4 5 4 4 4 5 7 5 12 7 10 6 5 7 6 11 11 14 9 8 6 6 5 4 6 6 9 26 12 60 22 14 33 21 18 18 8 11 11 17 7 10 11 12 17 16 9 11 12 7 8 32 8 17 11 6 5 8 13 12 10 23 46 22 9 5 10 10 19 15 18 13 7 7 10 7 4 4 4 4 4 9 4 4 4 4 3 3 4 3 3 3 4 4 3 4 4 3 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 4 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 4 4 5 4 3 4 5 5 4 6 7 5 3 6 7 5 3 7 13 18 0 36 100 44 17 8 6 5 7 8 4 5 5 4 4 4 4 4 4 5 7 25 60 53 13 5 4 5 4 4 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3; 1HNMR: 80 79 m 2H | 74 73 m 3H | 71 71 m 2H | 71 70 ddq 1H J 10 20 79 | 70 69 ddd 1H J 12 22 81 | 69 68 m 2H | 68 68 td 1H J 10 21 | 40 39 ddt 4H J 8 57 87 | 39 39 s 2H | 30 29 p 1H J 56 | 27 26 m 1H | 19 18 ddt 2H J 57 82 132 | 17 16 m 1H | 16 16 m 1H | 16 15 m 3H | 15 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cccc2c1ccn2CC(=O)c1ccccc1
ir: 2 1 2 2 2 1 1 2 3 3 2 2 2 2 2 2 1 3 3 10 21 21 10 1 0 3 3 9 5 20 19 21 4 13 8 15 26 46 30 37 45 3 5 3 38 34 19 27 2 3 2 1 4 1 3 2 3 4 6 10 3 4 6 11 3 1 1 2 8 8 2 0 2 3 3 2 2 2 5 12 2 1 1 1 1 1 1 1 1 1 1 2 1 4 3 4 2 3 7 10 5 2 6 10 12 12 20 6 8 5 1 3 3 1 1 2 3 2 4 7 4 8 4 8 8 4 3 5 20 11 3 3 2 7 7 3 4 4 4 12 17 20 33 20 16 14 9 5 22 39 14 7 3 5 8 5 2 2 2 2 6 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 3 2 3 1 2 2 1 3 3 8 7 8 40 100 18 26 10 13 7 8 3 2 4 4 3 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 78 78 dd 1H J 11 73 | 77 77 dd 1H J 12 62 | 76 75 m 3H | 74 73 dd 1H J 62 73 | 73 72 dd 1H J 10 49 | 70 70 d 1H J 49 | 56 56 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC(CN=[N+]=[N-])Oc2c(-c3ccc(Cl)cc3Cl)cccc21
ir: 2 3 3 3 6 5 6 4 1 3 3 3 7 3 5 5 4 4 5 3 2 4 3 1 1 2 2 2 3 5 3 1 1 1 1 1 1 4 8 8 2 2 1 1 4 3 3 6 33 24 6 6 4 3 13 13 5 3 2 1 2 2 2 16 4 6 7 10 8 4 9 5 8 8 5 5 6 3 3 1 2 5 5 3 5 8 8 6 9 25 39 24 2 3 2 2 3 4 6 4 4 2 2 4 2 2 3 1 2 1 0 1 1 1 1 1 2 1 2 5 4 3 3 3 2 1 0 1 1 1 1 3 2 2 3 7 10 9 11 13 7 12 3 1 2 1 6 7 2 1 1 3 3 1 1 2 13 2 1 7 5 1 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 2 2 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 3 2 2 1 1 2 3 2 12 12 6 79 100 19 12 4 3 3 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 77 77 d 1H J 20 | 75 74 dd 1H J 20 86 | 74 73 d 1H J 85 | 71 70 m 2H | 70 69 dd 1H J 36 50 | 43 43 p 1H J 37 | 39 38 dd 1H J 33 117 | 37 36 dd 1H J 39 109 | 36 36 dd 1H J 33 115 | 34 34 dd 1H J 38 108 | 30 30 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCONC(CCC)=C1C(=O)CC(C2=C(C)CCCC2(C)C)CC1=O
ir: 3 2 1 3 5 8 3 2 3 2 3 2 5 6 1 3 1 1 2 2 2 2 2 5 4 2 2 1 5 1 3 2 2 15 3 1 3 5 3 1 4 3 2 1 2 5 2 3 2 7 3 7 8 13 14 21 9 23 19 15 5 12 13 11 6 9 39 9 5 8 17 20 8 10 9 7 3 1 1 1 1 2 5 13 3 1 1 1 2 1 2 3 1 2 3 5 8 3 2 3 2 3 11 5 1 2 3 3 2 8 7 4 5 6 12 5 17 9 13 7 9 6 6 6 3 3 4 4 6 5 4 18 3 21 8 10 8 15 12 8 5 2 2 2 11 5 2 1 1 2 3 100 28 3 1 13 20 69 4 1 2 2 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 2 1 3 4 1 5 4 5 5 7 6 6 15 5 29 17 9 4 4 5 7 8 5 3 6 2 1 1 1 1 1 1 1 1 3 2 1 3 1 3 6 5 6 19 9 74 23 30 14 4 3 1 1 1 1 1 1 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 s 1H | 58 57 ddt 1H J 58 114 169 | 53 52 ddt 1H J 13 25 168 | 52 51 m 1H | 42 42 dt 2H J 14 58 | 32 31 tddd 1H J 11 55 68 77 | 29 29 d 4H J 70 | 29 28 t 2H J 64 | 20 20 ddd 2H J 10 53 72 | 16 16 m 1H | 16 15 m 6H | 16 15 m 2H | 15 15 m 1H | 11 10 s 5H | 10 9 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2nc(-c3cccc(-c4nn[nH]n4)c3)nc3cn[nH]c23)cc1OC
ir: 1 2 3 5 4 6 11 7 5 4 2 5 1 3 4 4 3 20 11 6 3 1 2 4 1 3 4 2 1 1 2 3 3 31 5 3 6 29 100 27 5 3 4 4 4 1 2 8 25 8 9 8 3 1 11 4 2 0 2 2 1 0 3 4 2 4 4 5 5 3 7 6 2 1 2 4 1 1 2 2 1 2 2 4 2 1 17 6 2 1 1 2 6 2 2 1 0 1 5 6 2 1 15 18 1 2 7 4 3 3 47 34 1 4 2 1 2 3 3 2 1 1 1 8 17 9 4 4 5 2 2 1 0 2 2 1 9 59 10 20 9 4 16 25 13 2 2 2 4 10 4 9 7 9 12 6 24 14 5 3 1 2 1 22 13 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 4 3 16 32 19 1 5 3 1 1 2 2 1 0 1 2 2 0 2 2 1 0 2 3 1 1 5 15 70 53 66 9 6 4 3 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 t 1H J 22 | 86 86 s 1H | 84 84 s 1H | 81 81 ddd 1H J 12 22 95 | 80 79 ddd 1H J 12 22 95 | 77 76 t 1H J 94 | 75 75 d 1H J 22 | 72 72 dd 1H J 21 83 | 69 68 d 1H J 84 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCCOc1ccc(NC=C2C(=O)Nc3ccccc32)cc1
ir: 3 2 1 1 2 1 1 2 1 4 12 16 9 8 9 4 1 2 7 10 2 2 0 1 1 1 1 4 3 2 3 5 12 6 7 12 8 46 13 3 3 2 1 1 2 1 2 8 31 74 18 17 6 3 13 26 9 3 2 1 1 2 1 2 2 3 1 1 2 10 2 3 6 4 2 3 1 1 1 4 12 9 2 1 3 2 1 0 3 2 18 3 7 5 7 1 2 1 4 1 1 1 3 3 4 2 23 8 1 5 1 1 3 1 1 1 3 4 3 1 1 1 1 1 3 4 3 2 2 1 4 7 16 18 3 2 2 4 6 36 3 1 1 4 1 1 1 2 13 6 9 3 3 9 17 2 6 15 1 2 30 4 4 1 1 0 5 22 2 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 4 8 6 12 100 26 7 3 5 2 2 2 2 0 1 0 0 1 0 1 1 1 0 1 6 18 11 37 95 58 18 3 1 1 1 1 1 1 0 0 1 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H | 82 81 d 1H J 71 | 78 78 m 1H | 74 73 td 1H J 12 73 | 72 71 m 4H | 68 67 m 2H | 40 40 t 2H J 65 | 27 26 m 7H | 19 18 p 2H J 65 | 11 10 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2n[nH]c3ccc(C(=O)NC4CCCC(Cn5ncc6ccccc65)C4)cc23)ccn1
ir: 1 2 3 3 6 28 4 8 3 3 14 8 80 19 10 25 12 10 6 7 5 12 8 8 22 10 9 4 8 24 63 10 9 8 4 9 10 15 10 10 44 78 68 23 16 0 4 5 4 0 3 4 7 11 8 18 5 0 2 3 2 0 2 2 11 8 22 24 12 10 5 16 20 9 15 9 3 2 4 2 4 2 4 5 2 1 4 6 4 3 2 3 3 12 10 9 11 7 9 3 2 5 26 17 10 22 29 6 9 65 8 17 13 17 14 6 14 8 6 6 3 7 8 6 4 14 21 6 26 64 54 8 3 4 9 12 82 34 7 8 6 12 24 59 68 52 18 17 100 10 10 3 5 12 5 16 15 12 4 1 3 7 52 6 8 27 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 2 3 3 3 3 3 2 2 5 9 8 7 8 21 10 15 29 99 65 32 8 13 7 7 4 5 2 1 2 2 3 2 3 3 3 3 4 4 3 6 19 24 44 20 69 10 5 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 86 d 1H J 15 | 86 85 d 1H J 50 | 80 80 d 1H J 19 | 80 79 m 2H | 79 79 m 1H | 78 77 d 1H J 23 | 77 76 d 1H J 79 | 74 73 m 3H | 72 71 d 1H J 80 | 41 40 dd 1H J 46 137 | 40 39 dp 1H J 49 81 | 38 37 dd 1H J 45 138 | 26 26 s 3H | 22 21 m 1H | 19 18 m 2H | 18 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)c1cc(Cl)nc(C(F)(F)F)c1
ir: 9 11 3 8 8 6 3 7 10 7 4 7 9 18 12 10 12 7 5 8 9 23 16 10 8 5 4 7 7 4 4 7 7 8 9 10 7 4 6 13 8 5 5 8 6 4 6 8 6 4 7 10 6 4 6 8 6 4 6 8 6 4 8 10 13 24 35 27 21 10 7 8 5 4 7 8 6 11 17 8 5 5 7 8 14 14 8 8 5 5 7 7 4 5 8 7 10 45 12 12 7 9 15 12 8 6 6 6 7 6 1 7 42 100 41 10 0 8 15 10 7 10 11 6 3 9 17 12 16 15 19 6 6 7 8 5 4 8 8 5 6 16 10 4 5 29 35 10 6 8 7 4 5 7 7 4 5 8 6 4 6 11 13 4 6 8 6 3 6 8 6 3 6 8 6 4 6 8 6 4 6 8 5 4 6 8 5 4 6 7 5 4 7 7 5 4 7 7 5 4 7 7 4 5 7 7 4 5 7 7 4 5 7 6 4 5 8 6 4 5 8 6 4 6 8 6 3 6 8 6 4 6 8 5 4 6 8 5 4 6 7 5 4 6 7 5 4 6 7 5 4 7 7 5 5 7 7 5 5 7 7 5 5 7 7 4 5 7 7 5 6 8 7 4 6 8 6 4 6 8 6 4 9 13 26 7 10 29 23 6 8 8 7 4 6 7 5 4 6 7 5 4 6 7 5 4 6 7 5 5 7 7 5 5 7 7 5 5 7 6 5 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 4 6 8 6 4 6 7 6 4 6 7 5 4 6 7 5 4 6 7 5 4 6 7 5 5 6 7 5 5 6 7 5 5 7 6 5 5 7 6 5 5 7 6 4 5 7 6 4 5 7 6 4 5 7 6 4 6 7 6 4; 1HNMR: 80 80 dq 1H J 9 19 | 76 76 d 1H J 22 | 16 16 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CC(NC=O)c2cc(-c3ccc(CN4CCCCC4)cc3)ccc2N1C(C)=O
ir: 3 1 3 2 3 4 4 3 4 5 9 3 4 3 2 0 6 9 4 6 2 11 10 7 11 40 9 8 10 3 4 7 4 1 1 3 2 1 2 1 1 1 2 2 1 2 5 6 2 4 2 4 5 4 43 14 10 28 5 1 1 0 3 1 3 4 6 5 2 9 23 16 4 2 4 5 2 3 2 2 12 10 2 11 14 2 2 2 9 7 8 4 1 2 6 2 4 8 3 7 8 9 4 4 3 33 1 1 3 9 10 8 7 4 8 6 9 11 5 5 6 11 8 6 3 5 9 6 12 11 6 12 15 9 7 2 2 5 5 6 5 29 9 7 32 31 76 17 5 21 7 8 10 7 30 60 3 2 3 4 6 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 3 1 1 2 3 8 4 5 1 4 4 6 7 5 13 17 12 100 11 7 5 2 5 2 2 1 1 0 1 1 1 1 1 1 2 2 2 5 5 22 22 26 10 7 1 5 2 1 1 1 1 1 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dd 1H J 17 72 | 76 75 dd 3H J 21 85 | 75 74 dd 1H J 7 22 | 74 73 m 4H | 49 48 m 1H | 44 43 ttd 1H J 15 54 79 | 36 35 t 2H J 9 | 24 23 m 8H | 22 21 ddd 1H J 57 79 132 | 17 15 m 5H | 15 14 m 2H | 14 13 m 1H | 9 8 td 3H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc2cc(Oc3c(Cl)cc(N)cc3Cl)cnc12
ir: 72 31 43 47 8 7 11 12 30 12 9 6 6 5 5 6 5 3 2 16 5 7 4 4 4 2 2 3 2 1 1 6 5 8 3 4 3 3 2 5 6 1 3 6 6 89 10 3 6 3 3 3 9 6 5 3 4 4 2 2 2 3 2 4 5 16 12 34 7 5 14 8 3 1 2 4 3 2 4 6 63 13 3 1 1 2 2 4 2 2 2 4 2 10 3 2 2 1 3 3 1 1 2 2 5 2 3 1 2 2 18 5 5 5 16 4 5 4 10 22 17 6 4 3 3 4 3 2 2 2 2 1 1 2 4 8 2 5 34 12 4 3 3 3 5 7 16 61 7 3 2 22 25 24 84 33 5 5 4 4 9 37 45 8 4 3 7 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 1 2 2 4 2 2 2 5 4 6 5 10 51 19 3 3 3 2 1 2 3 1 1 1 1 1 2 1 0 3 12 60 6 2 1 2 2 0 0 2 4 1 48 100 2 3 1 2 2 1 2 4 3 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 d 1H J 16 | 80 80 dd 1H J 11 88 | 78 78 ddd 1H J 12 22 88 | 77 77 t 1H J 19 | 76 75 t 1H J 87 | 67 67 s 2H | 49 49 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C[C@H]2CCN(c3ccc(-c4ccc(-n5ncccc5=O)cc4)cc3)[C@H]2C1
ir: 8 6 4 4 6 5 9 5 3 4 5 9 6 8 5 7 12 18 8 6 7 2 2 3 3 3 3 3 3 2 2 2 6 5 2 3 2 2 2 2 4 4 3 2 5 3 4 5 7 51 7 3 7 27 53 14 12 14 4 5 6 9 6 6 10 7 7 42 47 15 15 8 11 8 2 2 7 9 9 5 5 25 7 8 21 80 18 8 4 4 3 4 3 6 11 10 5 6 10 5 6 10 11 5 10 6 6 4 4 5 6 5 4 3 3 3 5 6 4 6 5 5 8 4 5 8 6 8 5 3 4 3 7 3 1 3 5 13 26 4 3 4 5 13 10 18 100 7 4 6 5 5 10 26 9 2 2 5 3 0 12 38 8 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 3 3 4 3 4 4 4 5 5 20 14 36 38 39 18 24 8 6 3 3 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 m 2H | 75 75 dd 1H J 17 65 | 75 75 dd 1H J 66 84 | 73 73 m 2H | 69 69 dd 1H J 16 84 | 68 67 m 2H | 40 39 dtt 1H J 14 27 37 | 35 35 dddt 1H J 17 57 75 123 | 34 33 ddd 1H J 58 77 122 | 31 30 m 1H | 30 29 dt 1H J 16 110 | 28 28 dd 1H J 29 103 | 27 25 m 4H | 19 18 dddd 1H J 20 39 77 141 | 17 16 m 1H | 11 10 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1c(O)cccc1OC[C@@H]1CCCC(=O)N1c1ccccc1
ir: 3 3 2 3 3 2 1 2 3 3 3 2 3 3 6 4 8 3 2 3 3 2 3 4 13 6 5 9 7 20 90 48 31 9 8 9 7 3 3 3 3 74 4 3 3 5 5 1 50 0 4 8 3 0 3 4 5 3 3 8 3 4 4 7 13 6 3 4 6 17 3 4 2 1 3 4 8 3 4 3 2 2 4 3 2 2 5 3 2 2 7 13 9 3 4 4 3 6 21 20 6 4 7 8 8 4 6 4 11 5 7 12 2 4 6 10 3 3 4 3 3 5 6 4 4 2 4 2 3 5 3 2 4 5 5 8 2 3 3 3 4 4 4 4 40 10 7 4 4 30 5 2 10 13 2 2 2 4 6 4 11 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 3 2 3 4 4 2 2 3 3 1 3 9 5 3 12 100 14 12 21 29 43 6 6 4 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 73 73 m 5H | 73 72 m 1H | 69 68 dd 1H J 9 86 | 68 67 dd 1H J 9 81 | 43 42 dd 1H J 68 106 | 41 40 m 2H | 26 24 m 2H | 21 17 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cc(CCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)n(-c2ccccc2)n1
ir: 1 3 6 5 8 3 3 2 3 5 4 3 5 4 4 7 4 2 2 5 3 5 5 1 1 1 1 1 1 4 8 3 12 8 5 2 3 4 4 10 16 4 16 24 7 11 6 4 4 3 3 4 4 16 29 2 10 3 5 3 1 2 7 5 11 4 8 11 15 21 7 7 6 6 16 3 8 10 5 6 61 16 5 30 23 11 9 15 6 6 5 3 3 4 5 3 8 7 4 9 8 14 16 6 1 2 2 4 6 4 4 11 7 9 4 2 4 3 6 4 4 3 3 1 2 3 4 4 6 11 32 15 10 8 27 29 17 7 4 6 3 18 28 8 2 2 4 8 17 24 3 14 5 11 9 1 13 4 1 2 1 4 19 3 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 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 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 5 7 2 2 4 4 7 4 16 23 5 41 100 100 40 7 3 4 2 2 1 2 4 1 0 2 2 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 75 74 m 2H | 74 74 m 3H | 73 73 d 1H J 86 | 68 67 m 2H | 62 62 p 1H J 9 | 33 32 m 4H | 28 27 m 6H | 26 25 m 4H | 20 19 tt 2H J 58 81 | 18 17 qt 2H J 59 80 | 10 9 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C/[C@H]1[C@H](C(=O)O)C1(C)C
ir: 6 5 4 4 7 5 6 3 5 7 3 8 7 6 6 10 13 15 12 32 62 28 41 22 5 7 8 10 5 2 2 4 4 1 2 4 6 2 2 4 3 0 2 5 4 1 3 10 6 7 8 7 3 1 11 7 8 3 4 5 3 1 3 5 3 8 8 8 5 3 4 9 12 1 23 18 17 93 76 30 10 3 6 9 2 3 7 4 2 5 6 8 4 1 5 4 1 2 5 4 1 2 6 4 2 3 7 13 16 3 6 3 1 3 7 4 0 7 8 16 2 10 41 9 5 3 5 4 2 5 12 3 3 5 4 2 3 9 8 4 10 18 25 37 45 13 28 4 3 4 3 1 2 4 4 3 5 12 4 1 2 4 3 2 3 5 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 3 5 3 0 2 5 3 2 3 6 4 3 8 14 24 38 12 14 6 3 4 4 3 2 4 100 75 21 18 4 2 2 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 56 55 m 1H | 52 52 ddp 1H J 16 73 123 | 24 24 dddq 1H J 10 20 75 95 | 20 20 dd 1H J 18 97 | 17 16 dt 3H J 13 50 | 11 11 d 5H J 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(SC2CNC2)cc1
ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 1 1 1 1 8 5 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 7 53 29 32 0 2 4 3 3 4 16 20 34 11 6 8 4 2 1 2 1 1 4 4 5 6 3 2 1 1 2 2 4 2 1 2 3 8 30 27 46 5 3 1 2 2 1 0 1 2 1 1 1 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 6 8 5 1 2 1 1 2 3 3 2 2 3 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 1 2 2 1 1 2 5 13 12 20 4 2 1 1 1 1 1 1 2 1 1 1 2 1 0 3 5 3 100 64 23 5 3 0 0 2 2 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 73 m 5H | 35 35 p 1H J 23 | 33 32 ddd 2H J 23 34 106 | 30 30 ddd 2H J 23 34 106 | 21 20 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C2N=c3ccccc3=C2CCN1
ir: 9 5 1 6 14 15 4 14 7 5 3 18 9 4 2 7 9 3 2 5 10 3 1 5 6 3 2 5 6 2 2 7 5 2 3 6 7 2 3 7 7 6 88 11 15 2 4 11 5 1 3 7 4 0 4 7 4 0 5 7 4 2 5 8 4 1 5 7 7 9 8 8 3 6 9 9 2 1 5 6 2 2 9 9 2 2 5 5 2 2 6 5 2 4 9 6 2 3 8 5 2 4 19 6 1 3 6 4 1 4 7 4 1 4 8 5 2 4 10 6 7 5 7 5 1 5 6 4 5 10 8 4 2 7 10 9 10 12 7 3 3 5 11 10 7 11 8 67 80 14 12 3 3 11 5 1 2 6 4 1 3 7 4 1 3 7 4 0 3 6 3 0 3 6 3 0 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 1 3 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 3 5 5 2 3 5 4 2 4 6 5 3 5 7 6 3 5 7 7 8 8 13 15 6 7 52 15 5 7 6 4 3 5 6 3 2 4 5 3 2 4 5 3 3 5 9 8 8 46 100 49 10 10 8 7 4 6 6 3 3 5 5 2 3 5 5 3 4 6 4 2 3 6 4 1 3 6 4 2 5 6 3 1 4 6 4 2 4 6 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 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1; 1HNMR: 77 76 m 2H | 76 75 m 1H | 74 73 td 1H J 13 73 | 42 42 t 1H J 37 | 33 32 q 2H J 38 | 31 31 m 2H | 23 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1nc(O)cc1-c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1
ir: 2 3 3 4 3 3 3 3 3 4 6 3 3 3 4 8 5 3 3 3 3 3 3 4 4 3 2 3 3 2 3 3 3 3 3 3 3 3 2 3 3 2 2 2 2 2 3 6 4 3 2 2 2 2 3 4 5 2 2 2 2 3 2 2 4 7 6 2 3 4 2 2 4 5 4 3 3 3 3 3 4 4 3 2 3 4 10 6 5 4 3 2 2 2 2 2 2 2 2 4 4 3 2 3 8 6 2 2 2 3 2 2 3 3 2 2 2 3 3 4 4 5 8 3 2 3 3 3 2 3 3 3 2 2 2 3 2 2 2 3 4 6 2 3 5 3 3 6 3 3 2 2 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 5 6 4 5 7 16 6 7 3 3 3 4 2 3 100 0 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 92 91 s 1H | 81 80 t 1H J 22 | 78 78 ddd 1H J 12 22 84 | 77 77 ddd 1H J 12 22 77 | 76 75 m 5H | 58 57 s 1H | 50 50 s 2H | 43 42 q 2H J 66 | 32 31 s 3H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Nc1cc(F)c(NCc2ccc(F)cc2)cc1N
ir: 7 9 5 2 2 6 8 6 5 12 13 22 14 8 12 4 18 21 10 21 10 5 7 2 9 11 3 3 11 14 18 45 36 8 3 6 9 1 5 3 5 3 3 2 1 1 3 1 1 3 3 4 8 6 11 20 5 3 6 2 1 1 1 2 5 4 4 21 19 4 5 2 1 2 3 4 3 3 2 4 14 9 4 2 1 2 9 2 1 1 1 1 0 1 1 2 6 3 3 5 4 1 2 3 1 2 2 1 1 1 1 1 1 1 1 2 3 4 5 3 4 3 2 2 5 17 1 1 2 1 1 1 1 5 4 7 1 1 1 1 1 1 3 4 6 11 100 18 5 61 16 23 7 7 54 42 23 3 3 3 2 3 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 6 11 54 5 7 2 1 2 0 1 2 1 0 1 1 1 1 1 1 2 3 14 5 2 6 4 85 12 20 15 6 7 10 55 5 2 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 85 s 1H | 75 74 ddt 2H J 9 35 77 | 73 73 d 1H J 121 | 72 71 m 2H | 64 64 d 1H J 43 | 60 59 td 1H J 35 51 | 47 47 s 2H | 46 45 dt 2H J 9 51 | 42 42 q 2H J 63 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N[C@@H](C)C(=O)O)cc(OC)c1
ir: 0 1 2 1 4 2 1 2 2 5 4 4 7 14 7 3 3 4 11 7 11 73 100 54 16 6 7 5 2 3 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 0 0 2 1 1 3 5 10 17 24 19 18 17 8 6 5 2 2 2 3 16 22 18 14 5 2 1 2 3 2 1 1 1 1 0 1 0 1 1 2 1 1 1 5 7 6 3 2 1 2 3 5 1 1 1 3 6 6 1 2 2 2 2 7 8 8 3 2 2 3 2 1 1 1 1 0 0 1 1 0 1 2 3 2 7 28 47 7 2 1 1 1 1 0 2 1 0 0 0 1 1 1 10 7 22 17 2 1 1 1 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 2 2 2 7 7 3 16 90 14 1 2 2 1 1 1 3 54 38 3 2 1 2 1 1 1 0 1 2 2 5 11 30 27 21 6 2 1 1 1 1 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 d 1H J 82 | 62 61 t 1H J 21 | 61 61 d 2H J 22 | 42 41 dq 1H J 61 81 | 38 38 s 5H | 13 13 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(C=O)c(O)c1
ir: 1 8 14 5 4 10 9 4 3 5 3 2 2 3 4 6 2 3 4 5 14 6 5 3 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 12 10 2 2 2 2 1 3 13 17 10 2 3 2 2 2 2 3 3 5 10 14 12 14 4 3 4 6 6 5 4 2 3 13 14 5 4 6 21 36 100 20 4 6 6 1 3 5 3 1 1 3 2 0 1 3 3 3 4 3 2 0 5 14 7 1 2 6 5 2 3 6 6 2 4 7 4 2 5 6 2 7 28 40 5 1 2 3 1 1 2 3 3 2 3 2 1 3 23 26 4 2 3 3 1 2 5 8 1 4 8 9 10 2 3 2 0 2 3 6 1 2 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 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 3 3 1 3 5 4 3 2 3 3 1 2 3 2 1 2 2 2 2 5 2 18 14 14 4 3 3 3 4 13 86 58 7 2 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 1 2 3 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 100 99 s 1H | 79 78 m 2H | 76 76 d 1H J 19 | 44 44 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(COc1ccc(C(=O)OCC)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
ir: 2 6 1 3 10 2 3 3 3 2 2 5 3 22 37 5 2 1 1 1 1 1 1 3 1 3 1 2 2 2 2 7 4 2 1 1 1 2 2 2 3 1 1 2 2 2 2 1 2 1 1 1 2 0 42 8 23 13 4 2 2 3 4 4 3 4 5 3 5 8 6 7 3 2 1 3 1 3 5 2 1 1 1 1 1 1 1 1 8 2 2 2 2 2 1 5 5 4 1 2 1 2 2 1 3 11 12 3 3 4 2 4 9 5 7 5 16 21 11 6 3 8 7 5 6 7 5 3 3 4 2 4 3 3 2 1 1 1 1 1 1 2 3 21 6 5 2 3 2 8 8 22 11 3 2 6 2 0 1 1 1 1 4 5 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 2 2 4 3 3 4 2 2 3 3 5 8 8 29 12 29 100 27 9 3 4 2 2 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 72 71 d 1H J 73 | 71 70 m 4H | 44 44 d 1H J 64 | 44 43 d 1H J 64 | 44 43 dd 1H J 55 121 | 41 41 dd 1H J 56 120 | 32 31 m 1H | 20 19 m 4H | 19 18 m 1H | 16 15 dtd 1H J 72 80 137 | 15 14 m 4H | 14 12 m 17H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2c(-c3cccs3)nccc2[nH]c1=O
ir: 6 5 2 3 6 4 6 10 15 8 2 6 20 10 4 8 12 12 6 21 27 91 65 12 10 60 26 19 7 9 5 6 7 18 10 8 12 4 13 15 8 5 5 37 27 20 100 41 9 0 6 11 5 1 4 7 5 3 15 7 6 2 4 7 3 2 7 8 4 3 10 23 12 55 13 5 5 16 51 24 13 5 10 5 3 5 6 6 4 8 9 4 3 3 5 6 5 10 5 7 11 23 18 10 8 20 14 8 5 5 29 8 2 4 9 3 1 4 6 5 5 5 8 6 22 33 18 10 2 6 14 30 10 6 8 9 5 9 12 13 4 4 4 6 9 18 8 12 4 5 4 3 6 8 44 32 24 2 5 5 4 4 4 6 15 36 7 3 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 6 7 5 3 5 29 42 13 12 25 18 9 4 4 4 3 1 58 40 5 7 3 2 5 5 3 2 4 5 4 4 10 42 27 24 12 6 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 2 4 4 2 3 4 4 2 3 4 3 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 86 86 s 1H | 86 86 d 1H J 40 | 75 75 m 4H | 72 72 dd 1H J 53 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Oc2ccccc2Br)c(Cl)c1
ir: 1 1 6 5 3 1 0 0 2 1 3 2 3 3 3 3 6 7 4 6 7 23 55 13 7 3 2 1 1 3 1 1 1 3 1 1 1 1 1 1 2 6 9 23 5 2 2 3 1 1 1 8 17 12 11 29 2 2 1 1 0 1 0 0 0 1 1 1 3 4 1 1 1 1 3 5 23 17 10 20 4 1 2 2 2 5 4 4 3 1 1 1 5 6 5 1 1 1 1 1 0 1 2 0 0 0 0 0 0 0 0 0 1 3 5 9 9 4 1 1 0 1 1 0 0 6 2 1 1 0 0 1 1 0 0 2 17 5 2 3 3 11 2 23 2 2 2 5 5 2 7 16 2 4 2 1 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 2 2 12 38 39 6 2 2 1 2 1 0 29 100 7 4 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 21 | 79 78 dd 1H J 22 82 | 75 75 dd 1H J 13 80 | 73 73 td 1H J 13 75 | 70 70 ddd 1H J 12 73 83 | 70 70 d 1H J 83 | 69 69 dd 1H J 12 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc(-c2cccnc2)cnc1NN
ir: 3 3 4 11 5 3 4 3 4 3 4 4 6 15 20 23 22 32 20 8 10 12 29 59 3 5 6 4 4 8 5 7 24 13 7 4 4 3 3 4 5 5 5 5 4 2 2 3 3 2 3 3 3 3 7 13 14 20 16 40 23 12 22 12 7 4 4 4 4 17 9 5 2 3 3 3 3 3 5 6 9 33 12 3 7 5 4 5 4 13 11 3 2 2 3 3 3 4 8 3 3 3 3 3 3 3 4 4 2 3 8 6 18 7 2 3 4 7 5 5 6 7 10 7 4 5 5 3 3 6 3 14 20 37 24 22 17 6 4 25 11 41 8 6 4 3 4 4 4 2 2 3 4 0 7 5 5 47 4 3 2 3 5 5 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 3 2 2 3 3 4 3 2 3 3 3 3 3 6 5 7 6 9 21 8 4 5 3 2 3 3 3 2 3 4 3 6 100 50 8 5 3 2 7 13 49 38 14 10 10 4 3 4 4 3 3 3 3 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 92 92 d 1H J 20 | 87 87 dd 1H J 17 48 | 87 86 s 1H | 84 84 dt 1H J 18 84 | 84 83 t 1H J 45 | 73 73 dd 1H J 48 84 | 50 49 d 2H J 46 | 29 29 t 2H J 67 | 19 18 qt 2H J 67 79 | 10 10 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(CCCc2cc(C#N)cc(N)c2Cl)CC1
ir: 33 31 23 19 19 17 17 17 16 18 18 17 16 17 17 17 17 18 17 17 16 17 16 17 18 19 17 16 17 17 16 16 16 17 20 17 17 16 17 17 16 17 17 16 17 16 17 17 16 17 17 17 18 17 17 17 17 17 17 16 16 16 16 16 18 17 17 19 30 20 17 16 16 17 16 16 17 22 21 25 31 18 17 17 26 23 18 19 17 17 17 16 17 17 17 17 19 28 18 20 20 18 18 18 16 17 17 17 16 16 17 17 17 18 17 16 16 17 17 17 16 17 17 17 16 16 16 16 16 17 17 16 17 17 17 17 16 17 17 16 16 16 16 16 16 16 17 17 16 17 17 16 17 40 30 13 15 29 24 0 60 34 16 21 17 13 16 18 16 14 16 18 16 15 16 17 16 15 16 17 16 15 16 18 16 15 16 17 16 15 16 16 16 16 16 17 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 15 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 17 17 17 18 17 16 16 16 17 18 17 17 19 22 18 20 17 17 16 16 16 16 16 16 16 16 16 16 17 16 16 17 24 28 16 16 17 16 16 17 17 16 17 28 100 74 25 16 16 17 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 17 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16 16; 1HNMR: 71 70 dt 1H J 9 20 | 70 70 d 1H J 22 | 41 41 s 2H | 28 28 td 2H J 9 85 | 26 25 t 2H J 62 | 26 25 s 8H | 24 23 s 3H | 19 18 tt 2H J 62 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(N(C)C)nnc2-c2ccc(OC)cc2)cc1
ir: 2 2 2 2 3 1 1 1 2 3 3 6 8 8 4 3 3 3 3 8 10 12 4 3 2 1 2 1 2 1 2 1 1 1 5 9 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 9 27 42 20 4 3 9 11 6 7 4 4 4 11 6 9 12 6 10 12 6 6 2 3 2 2 1 1 1 1 1 2 1 3 5 3 3 19 7 7 4 4 1 1 1 1 4 4 20 16 2 2 1 4 2 3 2 2 2 2 4 2 1 2 5 5 5 3 4 7 15 11 10 18 14 12 15 3 17 26 19 4 2 2 1 1 1 1 1 0 3 9 50 7 39 35 28 41 16 15 4 2 1 2 3 6 21 2 0 23 17 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 3 4 6 7 5 9 62 100 39 17 8 7 2 2 5 1 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 78 78 m 2H | 73 73 m 2H | 72 71 s 1H | 69 69 m 2H | 68 68 m 2H | 38 38 s 6H | 32 32 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C[C@H](C[C@H](O)[C@H](CC2CCCCC2)NC(=O)OC(C)(C)C)C(=O)O)cc1
ir: 9 7 4 3 4 3 4 3 5 9 6 8 18 22 13 6 10 5 9 43 24 38 49 7 5 3 6 8 8 3 5 11 13 9 8 9 4 3 4 1 2 1 2 1 1 2 2 1 1 1 1 3 3 8 8 9 5 2 2 2 1 2 3 1 2 1 1 1 1 4 2 1 3 3 4 8 5 6 12 12 18 8 4 8 5 4 4 4 4 4 3 3 4 6 15 21 11 28 7 12 3 2 3 2 3 3 4 5 2 3 7 5 3 3 6 3 3 3 3 5 10 5 6 3 2 6 6 4 1 6 7 4 2 2 3 2 2 2 3 2 4 5 8 68 7 31 15 10 15 100 1 3 5 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 2 2 2 2 2 3 2 2 4 4 3 3 12 10 4 10 10 5 2 4 5 19 11 5 14 78 95 20 3 2 2 1 0 1 1 1 0 2 3 3 9 57 4 2 2 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 dt 2H J 10 86 | 68 68 m 2H | 53 53 d 1H J 79 | 39 39 qd 1H J 52 71 | 38 38 s 2H | 37 37 dq 1H J 69 81 | 36 35 d 1H J 53 | 31 30 ddt 1H J 9 79 134 | 29 28 m 2H | 21 20 ddd 1H J 70 93 146 | 18 18 ddd 1H J 70 93 146 | 17 16 m 1H | 16 13 m 10H | 14 14 s 9H | 12 11 ddt 2H J 60 86 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(NC(=O)c2coc3ccccc23)c(Cl)c1
ir: 5 1 1 2 2 2 2 1 4 2 8 8 3 9 2 3 3 8 6 9 17 43 20 13 7 5 3 1 1 2 1 1 2 1 5 6 4 1 1 3 2 2 5 56 24 9 4 7 4 4 2 3 2 1 6 6 7 2 2 1 0 0 0 0 1 0 1 1 3 1 1 1 0 2 3 4 8 8 25 19 11 10 3 3 9 3 4 2 2 1 2 2 1 1 1 2 1 11 5 2 1 4 6 2 1 0 0 0 0 0 0 4 0 1 1 1 1 15 4 5 2 1 3 2 8 4 2 1 1 2 0 1 1 1 8 13 6 6 1 0 1 3 5 25 4 5 5 45 5 44 12 7 38 9 11 2 4 1 1 1 1 3 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 1 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 3 3 3 2 8 41 10 8 6 9 2 3 2 4 9 100 8 1 1 1 1 1 1 1 1 1 3 2 7 9 9 15 7 23 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; 1HNMR: 99 99 s 1H | 87 86 s 1H | 82 81 dd 1H J 18 86 | 76 75 m 1H | 75 74 d 1H J 81 | 74 73 m 3H | 72 71 ddt 1H J 9 21 82 | 36 36 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)Oc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1
ir: 1 3 5 4 2 4 3 1 1 2 2 3 2 3 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 3 2 1 2 1 1 2 3 3 3 2 5 3 5 23 54 22 17 12 10 11 3 3 2 2 0 2 6 19 11 17 9 7 5 3 3 2 2 1 2 2 3 3 3 2 3 3 4 2 1 2 2 1 1 4 27 21 7 2 1 2 2 2 1 1 1 1 1 1 1 4 2 1 1 2 1 2 2 3 5 2 1 3 5 6 4 3 3 2 2 3 2 1 2 2 1 0 1 1 1 1 3 10 3 1 3 4 3 8 4 5 11 9 8 9 4 2 3 1 1 1 1 2 5 1 1 1 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 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 1 1 1 1 2 1 2 1 1 2 3 3 5 14 26 27 100 30 14 9 5 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 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 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: 75 74 m 4H | 69 69 d 1H J 22 | 69 69 d 1H J 93 | 68 67 dd 1H J 22 93 | 51 51 d 2H J 8 | 43 42 dtt 1H J 15 47 79 | 18 17 dqd 1H J 48 79 127 | 16 15 dqd 1H J 49 80 128 | 13 12 d 3H J 64 | 10 9 td 3H J 15 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N=[N+]=[N-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1
ir: 2 6 3 4 2 3 3 2 2 2 1 3 2 2 2 2 2 4 2 2 2 2 1 2 2 2 2 3 2 1 2 2 4 13 15 2 2 1 1 1 1 2 9 1 1 1 1 1 1 2 3 2 1 1 1 1 1 2 1 1 2 2 2 1 6 36 47 27 28 5 2 3 2 1 7 1 1 1 2 2 2 2 4 11 4 2 2 2 1 1 3 4 4 30 7 4 0 6 53 100 40 4 0 1 3 2 1 4 6 5 64 24 4 5 4 5 22 25 8 3 3 2 1 3 3 6 6 9 11 33 52 10 5 5 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 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 2 1 1 2 2 3 2 3 3 8 2 10 57 24 8 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 t 1H J 22 | 76 75 dd 2H J 8 23 | 45 44 qd 1H J 9 77 | 14 14 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1c(=O)[nH]c2cc(Cl)ccc21
ir: 3 4 21 33 27 11 8 9 8 19 12 4 4 3 4 3 3 2 2 2 6 2 2 2 2 2 4 4 2 2 4 8 2 9 4 12 6 3 4 2 12 30 5 3 3 2 2 2 2 2 2 2 3 5 5 14 9 4 2 2 2 7 6 2 3 5 16 17 2 2 2 3 5 2 2 2 2 2 2 2 2 2 2 2 2 2 8 2 2 2 2 2 2 2 2 3 13 30 6 3 2 2 5 3 2 35 4 2 2 2 2 2 3 2 2 2 2 4 4 8 17 5 3 3 2 2 2 3 3 9 16 7 5 4 15 12 2 2 2 2 2 2 2 2 8 3 3 2 4 62 5 2 2 10 0 4 3 0 3 10 100 6 25 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 3 3 3 4 7 24 4 6 92 8 4 5 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 10 13 27 18 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 76 76 m 2H | 72 71 dd 1H J 23 85 | 15 15 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCCCC1CCNCC1)N1Cc2ccccc2C1
ir: 9 13 1 1 2 3 1 1 2 2 1 2 1 1 1 1 2 1 3 7 12 30 5 2 2 3 2 2 2 2 1 3 3 5 4 8 9 33 44 26 7 70 17 11 4 3 3 6 5 24 15 17 12 0 28 18 5 2 3 4 3 3 3 4 2 3 6 8 5 3 5 4 1 1 2 2 1 1 1 1 1 1 7 1 3 2 3 4 7 5 2 3 1 3 5 39 3 2 2 2 1 1 3 3 3 4 4 3 6 10 21 29 16 16 22 14 3 9 7 10 5 13 6 7 4 4 6 7 14 15 4 3 5 2 3 3 6 22 4 14 2 2 3 4 7 12 9 28 100 21 6 5 75 4 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 5 4 4 2 3 2 3 2 3 8 21 9 10 27 20 2 2 2 2 1 1 2 1 1 1 2 3 3 4 3 4 13 18 79 12 2 33 20 14 12 3 2 2 2 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; 1HNMR: 73 72 dtt 2H J 9 36 55 | 72 71 dd 2H J 38 60 | 59 59 t 1H J 54 | 46 45 d 4H J 8 | 32 31 m 3H | 28 27 dddd 2H J 27 39 53 134 | 27 26 dddd 2H J 27 39 53 136 | 17 16 dddd 2H J 26 53 62 132 | 16 15 ddt 2H J 55 75 82 | 15 14 m 1H | 14 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2c(c1)CC1CC2CN(Cc2ccccc2)C1
ir: 6 3 1 4 7 2 2 7 3 3 12 5 3 3 3 3 5 4 7 2 4 1 2 1 1 2 3 5 1 27 15 7 5 2 7 6 4 1 10 66 8 11 32 9 11 2 2 5 2 1 2 6 5 36 53 3 5 2 2 8 2 1 2 3 3 2 18 40 16 8 2 8 3 19 2 3 2 7 8 8 29 90 21 4 8 12 29 9 6 4 13 3 14 9 4 3 1 4 12 6 7 2 3 2 5 5 14 9 5 5 10 3 3 3 3 1 0 1 3 2 2 4 5 5 3 7 3 4 5 3 2 3 7 10 5 38 6 3 4 2 1 5 44 16 1 3 4 4 0 7 9 4 2 10 3 1 1 3 1 1 1 39 3 1 1 2 1 0 1 2 2 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 2 1 1 1 2 2 2 1 2 2 1 1 2 2 1 2 3 5 3 3 3 6 2 4 6 33 12 28 55 75 4 3 5 4 3 11 100 20 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 5H | 71 70 m 1H | 66 66 dd 1H J 22 92 | 65 65 dt 1H J 9 20 | 64 64 s 1H | 36 35 m 2H | 35 34 m 1H | 32 31 dd 1H J 43 114 | 30 29 ddd 1H J 8 68 141 | 30 29 dd 1H J 43 113 | 29 28 dd 1H J 42 114 | 28 27 ddd 1H J 8 68 141 | 27 26 dd 1H J 43 113 | 25 23 pt 1H J 43 67 | 21 20 dt 1H J 66 133 | 19 18 dt 1H J 67 133
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CC2CCOC1CC2
ir: 2 4 7 7 10 5 3 2 2 4 5 5 5 4 11 6 13 3 2 2 2 2 2 2 1 1 3 3 7 12 8 4 2 3 3 1 2 4 4 4 3 3 5 6 2 2 8 4 5 4 2 3 3 2 13 12 8 4 2 1 3 5 3 18 9 5 3 2 3 35 39 29 2 3 4 7 6 13 13 28 19 22 13 13 39 47 91 100 27 13 18 4 7 6 8 9 6 4 2 1 3 3 1 4 6 5 9 11 22 11 10 10 9 17 7 12 3 3 2 4 3 3 4 4 2 4 4 3 4 5 5 8 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 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 2 2 3 2 4 3 8 5 4 9 13 10 6 6 8 7 25 21 7 4 1 2 4 2 0 3 11 55 53 36 2 2 2 1 1 1 2 2 1 1 2 1 1 2 1 1 2 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 39 38 m 2H | 38 37 m 1H | 36 36 dt 1H J 65 112 | 34 34 d 1H J 54 | 19 16 m 6H | 16 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C#N)C(c2cc3cn[nH]c3cc2F)C(C#N)=C(C(F)(F)F)N1
ir: 3 1 0 1 0 5 11 11 9 3 1 3 11 11 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 5 3 2 1 1 1 0 1 1 1 10 4 1 1 0 1 1 2 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 1 0 2 4 2 1 1 1 0 0 0 1 0 0 2 1 0 1 1 1 1 5 3 0 3 1 1 1 1 4 1 2 1 0 1 6 5 3 1 14 1 1 1 2 3 4 4 3 4 1 1 2 2 2 2 8 0 1 1 0 0 2 1 3 3 2 2 1 0 0 1 0 0 0 0 0 1 1 1 0 0 1 3 1 1 1 1 1 3 10 17 0 1 6 2 1 2 1 0 0 12 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 1 1 0 0 0 1 0 1 0 1 1 0 1 2 1 1 4 12 1 0 0 1 0 1 1 1 0 0 0 1 0 0 1 1 1 4 1 2 2 1 2 8 100 14 14 4 1 3 2 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 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 1H J 18 | 82 82 m 1H | 75 75 d 1H J 121 | 71 71 q 1H J 22 | 46 46 dq 1H J 9 35 | 20 20 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CO)ccc1NC(=O)Nc1ccccc1
ir: 2 2 2 1 1 3 2 2 2 4 3 1 2 2 2 2 2 4 3 2 2 4 4 3 2 6 3 2 1 16 3 1 1 3 6 2 3 3 5 6 3 5 2 6 57 71 10 3 2 3 4 1 3 5 13 13 3 3 7 0 1 2 2 1 2 5 3 0 16 4 1 1 1 2 2 2 2 2 3 5 2 4 4 4 6 11 11 3 4 4 5 2 7 2 1 1 3 3 5 3 3 4 0 3 17 3 2 2 2 1 1 1 2 1 0 1 2 1 1 2 2 2 1 4 4 3 3 3 3 1 1 1 2 2 9 2 8 3 1 2 2 1 1 2 2 2 21 6 3 6 18 13 12 72 21 68 1 3 2 2 4 6 2 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 2 1 2 2 2 2 2 3 9 43 12 5 7 2 3 4 6 100 8 2 3 2 1 1 2 1 2 3 2 1 3 3 9 42 27 4 2 8 3 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 s 1H | 83 83 s 1H | 74 73 m 3H | 73 72 m 2H | 70 70 m 2H | 69 69 dt 1H J 9 18 | 45 45 dt 2H J 9 57 | 39 39 s 3H | 28 28 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cnc(SCc2c(F)ccc(F)c2F)n1-c1ccc(F)cc1
ir: 2 7 3 2 2 2 1 1 1 2 1 9 2 2 1 3 1 2 7 13 2 1 0 1 1 2 0 1 1 1 0 0 1 1 0 1 1 1 1 0 1 5 15 4 3 5 2 2 1 0 1 1 4 31 90 10 18 5 4 1 7 1 0 1 0 0 1 6 1 6 1 1 0 1 1 1 0 0 1 1 0 0 2 3 47 10 2 0 3 2 1 1 3 1 9 6 2 8 2 2 3 2 3 2 1 1 4 13 5 1 2 7 2 1 0 0 1 1 0 1 1 14 2 3 3 3 0 1 1 3 3 1 1 3 1 1 1 0 1 3 7 19 1 2 2 6 15 20 2 8 1 2 7 0 0 1 0 0 14 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 10 4 1 1 1 1 1 1 4 9 6 17 100 21 22 10 3 3 0 2 54 31 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; 1HNMR: 84 83 s 1H | 75 74 m 2H | 72 72 ddt 1H J 47 88 98 | 72 71 m 1H | 72 71 m 1H | 71 70 ddd 1H J 48 88 101 | 45 45 t 2H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C=Cc1ccc(Cn2cc(-c3ccc(CN4CCCC4)cc3)nn2)cc1
ir: 6 4 6 5 3 2 4 7 3 6 6 7 8 4 8 5 9 4 2 4 4 13 100 35 13 5 7 5 4 6 13 12 10 3 4 3 13 2 2 3 3 2 2 4 8 14 8 9 4 3 4 8 9 8 4 39 41 21 4 10 13 9 4 18 16 14 5 6 2 8 2 2 2 2 2 3 9 11 59 20 5 1 4 6 3 5 9 11 3 3 19 15 37 5 4 9 5 9 12 7 2 4 6 3 1 8 19 12 3 4 3 2 1 2 3 4 1 2 4 4 2 4 4 7 2 7 5 2 1 3 8 5 3 5 12 10 8 5 3 3 12 4 3 3 6 37 14 19 39 7 6 4 5 3 4 12 5 3 3 1 1 2 1 1 3 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 2 1 2 2 3 2 1 2 3 2 2 8 9 10 44 40 21 17 19 15 6 6 5 11 42 37 7 4 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 81 81 t 1H J 9 | 78 78 m 2H | 76 75 dq 2H J 10 73 | 75 74 m 4H | 72 71 dd 1H J 9 112 | 61 60 d 1H J 112 | 54 54 q 2H J 9 | 36 35 t 2H J 9 | 28 28 dd 2H J 19 61 | 28 28 s 2H | 19 18 p 4H J 19
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc(C(N)=NO)cc1
ir: 2 4 9 2 5 6 6 5 3 9 5 9 5 5 10 6 4 15 5 11 20 3 9 6 5 7 8 5 3 4 2 7 1 4 4 4 5 4 5 4 1 2 2 4 2 3 1 3 2 2 1 2 4 4 13 16 2 2 1 1 1 3 6 5 4 1 1 1 1 2 1 1 2 2 1 2 3 3 1 2 2 4 1 5 5 2 1 1 1 2 0 0 1 1 0 1 2 2 15 6 7 12 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 5 1 1 1 2 2 1 2 6 1 1 1 1 1 1 1 1 1 1 2 4 4 22 32 3 5 2 2 3 16 17 10 5 4 11 2 3 2 2 0 1 1 1 0 0 3 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 2 2 3 5 6 12 9 3 1 2 2 2 6 36 77 12 3 3 1 1 2 1 5 6 17 6 3 2 1 1 1 1 0 1 5 16 100 8 0 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 m 2H | 72 72 m 2H | 50 50 s 2H | 30 29 tt 1H J 63 74 | 13 12 d 7H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CS[C@@H](c1cccc(Cl)c1)[C@H](NCC1CC1)c1ccc(Cl)cc1
ir: 6 2 2 2 5 1 2 2 1 1 1 1 1 2 4 2 1 1 1 3 1 2 2 5 3 1 1 2 3 2 3 3 5 10 23 6 9 2 3 3 4 5 8 19 11 14 15 13 28 9 8 10 20 3 22 52 16 26 10 10 8 15 9 18 3 3 7 5 23 7 3 6 4 7 2 2 6 3 6 7 3 2 3 3 1 4 4 13 5 2 1 2 4 8 7 6 6 9 7 9 2 3 3 2 1 2 10 25 17 11 8 9 4 9 6 6 9 6 4 6 18 19 4 15 7 3 11 8 4 13 9 23 16 9 8 2 3 4 3 8 24 4 6 20 34 11 31 23 6 2 6 6 23 3 25 7 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 2 2 4 4 5 6 6 16 0 43 89 44 10 16 4 5 4 4 2 4 3 1 1 2 2 6 2 6 25 99 100 44 16 5 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 5H | 73 72 m 3H | 47 46 m 1H | 43 43 dd 1H J 8 67 | 37 37 s 2H | 36 35 d 1H J 163 | 35 34 d 1H J 163 | 27 26 dd 2H J 42 48 | 22 21 dt 1H J 49 73 | 12 11 pt 1H J 42 55 | 5 4 m 2H | 3 2 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ccc(N)cc2)cc1
ir: 8 3 3 7 20 10 2 7 2 2 1 2 1 1 1 7 2 4 1 2 2 1 1 1 0 0 1 3 0 0 0 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 2 13 30 3 2 17 4 1 1 0 1 1 1 0 1 1 1 6 2 1 0 0 1 1 2 4 5 2 1 1 1 1 0 1 1 1 5 3 1 1 0 4 0 0 0 1 0 1 1 0 0 0 1 1 21 1 0 0 1 1 0 1 2 1 5 3 2 1 1 1 1 1 3 1 1 1 2 1 1 0 0 0 0 0 0 1 1 0 1 2 3 33 2 12 1 1 2 2 4 9 6 3 6 4 100 6 1 1 1 2 3 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 1 1 1 1 1 1 1 1 2 2 2 8 33 2 3 3 1 1 1 0 1 0 1 0 0 1 0 1 0 2 19 6 11 0 0 0 0 1 1 1 1 2 29 19 2 2 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 77 76 m 2H | 76 75 m 2H | 67 67 m 2H | 44 44 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@@H](C)C(=O)Nc1c(C(=O)c2cc(C)ccn2)[nH]c2cc(Cl)ccc12
ir: 3 6 11 5 16 9 8 6 7 4 20 5 3 2 2 11 8 7 2 2 4 6 3 6 5 3 3 2 7 5 6 29 30 9 8 22 17 4 1 2 6 5 7 1 4 4 2 0 3 8 3 3 4 31 44 47 29 5 30 56 25 24 3 8 21 20 32 7 9 3 5 15 3 13 9 5 2 3 3 9 3 4 2 4 14 3 1 2 3 15 31 14 47 6 6 4 3 4 4 15 12 14 4 4 3 3 6 3 1 10 7 5 4 2 5 3 5 3 6 5 0 4 6 9 15 16 18 9 41 17 9 2 17 9 1 2 3 9 43 11 6 4 3 7 58 15 6 26 14 4 12 12 94 7 3 2 3 79 15 100 5 45 3 27 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 2 3 5 2 4 6 7 10 8 8 22 40 29 8 7 3 4 3 2 1 1 2 3 2 2 3 2 1 2 3 2 3 5 35 57 23 17 26 12 6 6 3 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 86 86 d 1H J 48 | 82 81 d 1H J 83 | 78 77 d 1H J 22 | 75 75 d 1H J 24 | 72 72 dd 1H J 22 82 | 71 70 m 1H | 56 55 q 1H J 57 | 24 24 t 3H J 6 | 21 21 s 3H | 14 14 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O
ir: 10 5 6 4 5 5 3 5 6 8 10 9 3 10 10 6 8 8 5 17 62 35 38 14 5 11 18 17 27 8 20 42 16 23 25 37 28 12 18 8 26 13 7 14 11 2 7 8 7 6 2 4 3 2 6 4 3 1 3 2 2 5 3 4 1 2 2 4 4 3 3 3 2 3 4 7 12 32 12 8 7 4 2 4 4 6 5 4 2 7 3 3 1 1 4 4 9 4 4 4 3 1 2 2 2 4 4 4 7 4 7 4 5 6 4 6 4 5 7 9 11 15 11 5 10 4 5 4 3 5 9 3 4 2 7 3 1 5 7 16 21 96 100 79 13 37 9 9 14 31 11 6 2 3 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 4 4 4 3 2 2 4 4 5 14 19 8 9 25 15 3 2 2 1 1 1 1 5 5 5 2 1 1 3 2 4 1 4 5 5 6 15 41 82 49 22 12 7 2 7 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 0 0; 1HNMR: 78 78 t 1H J 63 | 77 76 d 1H J 86 | 73 72 m 3H | 72 71 ddt 2H J 8 15 70 | 60 60 d 1H J 81 | 44 43 dt 1H J 65 79 | 43 42 dt 1H J 73 86 | 39 38 m 2H | 30 30 ddt 1H J 9 65 139 | 28 27 ddt 1H J 9 66 139 | 17 15 m 2H | 15 14 ddd 1H J 73 81 136 | 14 14 s 7H | 9 9 d 3H J 65 | 9 8 d 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N2CCN(C(=O)c3ccc(N4CCCCCC4=O)cc3)CC2)c(C)c1
ir: 4 12 9 6 1 7 5 5 1 5 6 5 3 6 11 7 7 15 15 5 12 8 7 2 1 5 5 3 5 6 13 2 4 7 16 8 46 21 19 7 11 17 10 3 7 10 5 0 4 7 3 0 7 29 24 9 13 31 25 8 4 7 7 2 6 20 7 3 20 14 4 3 8 12 5 0 5 7 1 2 5 6 5 15 15 10 10 13 14 5 6 4 6 5 3 5 16 36 2 16 11 6 11 7 11 7 4 6 5 3 3 8 10 20 9 11 14 15 22 15 20 15 21 8 13 15 4 10 13 15 2 33 18 16 10 24 15 4 2 4 6 1 5 9 18 50 22 33 64 31 94 29 32 40 8 9 4 0 3 5 3 1 12 37 2 0 3 4 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 1 1 3 4 1 1 3 4 1 1 4 3 1 1 4 3 1 1 4 3 1 2 4 3 0 2 4 3 0 2 5 3 0 2 5 2 0 2 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 3 1 2 4 3 1 2 4 3 2 3 5 4 3 3 7 9 5 8 6 5 3 5 8 10 9 13 22 99 100 44 16 8 1 5 6 6 3 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 78 78 m 2H | 74 73 m 2H | 70 70 m 1H | 69 69 d 1H J 83 | 68 68 d 1H J 27 | 38 37 td 2H J 31 63 | 37 36 m 4H | 34 34 m 4H | 27 26 m 2H | 24 23 m 2H | 23 22 s 3H | 19 18 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCC(=O)NNC(=O)c1ccc(Br)cc1
ir: 0 0 1 1 0 1 2 1 2 1 2 6 3 1 1 0 0 1 4 2 1 1 2 1 3 3 1 5 19 12 13 12 10 4 14 12 3 10 13 1 43 10 12 37 5 6 7 26 12 8 3 5 12 5 2 4 4 1 12 1 1 1 1 1 1 1 1 2 2 11 3 0 1 1 1 0 1 0 0 0 0 0 0 1 1 1 1 1 6 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 2 2 0 1 4 1 3 9 5 1 0 1 1 0 0 1 1 0 0 1 2 1 3 9 90 50 100 34 6 46 17 3 5 7 8 1 2 3 4 2 5 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 2 1 1 0 1 1 2 3 14 3 7 42 9 2 2 2 1 1 1 1 1 0 1 1 1 1 0 1 2 2 9 7 7 8 21 69 43 12 8 6 1 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 d 1H J 68 | 99 98 d 1H J 66 | 79 78 m 2H | 77 77 m 2H | 73 72 t 1H J 65 | 38 38 d 2H J 66 | 21 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(N(C)c2ccc(N(C)C(=O)OC(C)(C)C)cc2)c2ccccc2n1
ir: 3 4 4 6 3 8 5 2 3 7 24 10 19 5 2 6 4 11 3 4 3 7 10 7 3 31 5 3 9 7 7 2 2 2 2 2 7 25 5 2 8 2 5 6 42 4 3 2 3 7 43 15 7 7 8 56 10 5 2 2 2 3 12 6 2 3 6 7 5 5 9 18 20 10 4 5 4 3 4 5 4 3 9 10 3 7 2 3 2 2 3 4 5 4 3 7 3 4 3 3 3 3 2 3 2 2 2 6 13 16 4 6 7 7 6 3 3 8 0 6 6 4 2 2 4 3 8 4 8 30 21 20 9 14 20 8 9 3 3 2 2 5 39 75 24 1 2 5 17 6 44 74 13 91 9 7 5 82 6 4 2 0 2 8 3 62 4 0 1 2 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 2 3 2 4 3 3 3 2 2 2 3 3 3 3 3 5 6 27 12 23 100 38 18 8 4 5 3 3 2 2 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 dd 1H J 14 100 | 80 80 dd 1H J 14 74 | 78 78 td 1H J 13 72 | 75 75 ddd 1H J 13 69 99 | 73 73 m 2H | 71 71 m 2H | 37 37 s 3H | 33 33 s 3H | 25 25 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2nc(N[C@@H]3CCCC[C@H]3O)sc2c1
ir: 1 5 4 3 5 4 2 2 2 1 1 5 8 6 18 12 3 8 9 11 8 5 4 2 4 4 2 2 2 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 3 1 1 1 1 1 1 2 3 5 2 2 1 1 1 1 1 1 0 1 2 6 4 6 3 1 1 1 1 1 2 1 2 6 9 2 2 4 3 1 1 2 3 4 5 6 6 5 9 6 4 3 1 2 1 4 1 1 1 1 3 8 2 3 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 3 2 2 1 0 1 1 4 3 10 1 1 0 1 1 3 4 4 7 8 100 9 6 3 12 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 1 0 0 1 1 1 1 1 1 1 0 1 2 4 3 6 2 6 6 22 2 4 0 13 94 39 60 30 4 3 2 1 1 1 1 0 1 1 1 3 5 15 5 12 4 11 3 2 3 1 1 1 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 s 1H | 74 74 d 1H J 82 | 72 71 d 1H J 20 | 68 67 dd 1H J 22 82 | 59 59 d 1H J 74 | 39 38 dddd 1H J 29 57 64 73 | 38 37 tdd 1H J 31 53 64 | 34 33 d 1H J 54 | 20 19 m 1H | 19 18 dddd 1H J 32 65 96 139 | 18 15 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)c3ncn(C)c3n2)n1
ir: 1 1 2 3 9 5 1 4 25 34 35 5 1 1 2 4 1 2 3 4 9 9 5 3 5 10 2 1 1 1 1 2 7 6 3 4 4 1 2 2 4 11 19 25 9 7 8 3 4 1 1 1 2 5 27 42 4 3 4 2 4 1 1 2 1 5 4 5 8 8 5 4 3 2 1 3 2 2 1 2 6 5 9 16 2 1 1 2 2 1 1 2 1 1 0 7 36 8 3 5 7 6 7 4 12 68 23 7 17 6 9 3 7 4 1 11 10 18 13 7 10 25 10 7 5 6 15 6 3 5 17 2 1 5 1 3 3 3 5 2 1 2 4 1 2 1 13 8 20 9 5 1 5 0 20 2 2 1 1 2 5 6 2 9 2 1 2 6 51 28 3 2 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 2 1 1 2 11 8 5 7 2 2 1 2 1 2 3 4 8 14 11 39 27 60 54 78 100 23 2 9 4 3 1 2 2 1 1 1 2 1 1 2 1 0 2 2 3 8 37 19 12 3 5 1 1 1 4 1 1 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; 1HNMR: 92 92 s 1H | 82 82 d 1H J 9 | 74 74 m 2H | 73 72 m 2H | 60 60 m 1H | 40 40 s 3H | 23 23 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC1CCBr
ir: 10 5 10 9 9 4 5 14 8 8 2 5 3 5 4 3 2 3 3 1 0 2 2 1 0 10 5 2 8 4 4 1 0 3 2 0 6 6 6 3 86 28 10 6 4 2 2 3 8 7 6 1 4 3 13 3 5 10 1 1 1 2 3 2 2 1 1 0 2 2 1 2 16 10 16 34 6 2 1 1 1 2 2 3 5 12 2 18 4 12 3 7 10 17 1 2 3 2 1 6 5 7 6 5 6 19 10 83 14 9 7 5 3 5 7 12 7 7 5 5 2 13 2 6 5 3 2 2 5 2 1 1 3 2 2 5 10 20 15 36 15 16 44 30 68 43 30 9 6 9 21 8 2 3 2 2 2 1 1 2 2 5 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 2 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 0 1 3 1 1 2 4 3 10 5 6 3 1 5 9 5 25 50 49 100 15 2 2 10 12 5 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 42 40 m 2H | 35 34 dt 1H J 32 107 | 34 33 dt 1H J 32 108 | 20 19 m 2H | 18 17 m 2H | 16 16 dt 1H J 68 78 | 14 14 dt 1H J 67 77 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)N1CCC(O)CC1
ir: 9 6 7 5 4 5 4 6 2 3 3 1 2 2 2 1 1 2 2 1 1 1 1 1 3 4 3 2 1 2 2 1 1 2 2 8 11 30 6 0 1 2 2 1 2 3 1 1 1 2 1 1 2 3 2 2 2 2 4 2 1 4 5 4 4 9 11 5 3 4 3 4 4 7 3 2 1 2 1 2 1 4 3 4 8 5 35 53 7 5 2 7 7 4 3 2 2 2 2 1 3 3 2 3 3 4 3 2 4 1 1 1 1 2 2 5 5 4 3 4 2 3 5 7 23 12 1 5 7 4 2 4 4 2 1 2 3 4 8 37 4 4 1 2 2 1 1 1 1 0 3 100 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 4 3 7 4 3 3 5 2 5 2 3 5 7 5 4 2 2 2 4 1 5 2 46 55 13 3 2 3 3 2 1 2 2 2 2 3 2 2 1 1 3 1 1 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 39 38 h 1H J 49 | 37 36 ddd 2H J 65 92 121 | 34 34 ddd 2H J 66 93 123 | 32 32 d 1H J 49 | 29 29 s 5H | 21 20 dddd 2H J 50 66 93 130 | 19 18 dddd 2H J 49 65 92 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)c(C2OCCO2)cc1Br
ir: 4 3 3 4 7 3 3 3 3 4 5 5 5 10 11 8 8 6 10 8 5 3 3 4 4 2 4 5 8 12 6 4 3 2 2 4 5 9 8 4 4 2 2 3 3 2 6 5 3 2 4 8 3 1 3 5 3 0 10 26 77 30 9 8 6 7 15 39 37 24 15 10 21 18 9 17 24 24 30 32 12 4 3 3 4 4 6 4 9 4 13 9 5 2 3 3 4 4 4 13 3 18 16 4 4 4 3 4 8 5 3 4 4 3 2 7 8 5 5 9 3 4 3 5 26 8 8 6 3 3 3 2 2 2 2 2 2 2 2 14 3 2 2 2 3 2 7 22 7 4 3 6 15 15 4 2 3 3 2 2 3 6 13 4 3 3 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 3 3 3 3 4 4 5 3 4 4 5 9 24 49 5 9 100 24 4 3 3 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 77 76 d 1H J 7 | 66 65 s 1H | 59 58 s 1H | 41 40 m 2H | 40 39 m 2H | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1CC[C@H](Oc2cc(F)c(C(=O)OC(C)(C)C)cc2F)CC1
ir: 1 4 5 1 2 2 9 8 6 7 6 1 2 1 1 0 0 0 1 1 1 0 0 0 0 1 2 2 1 1 2 1 1 1 1 1 8 1 1 1 1 5 0 1 0 1 1 1 1 0 0 1 1 1 1 0 1 0 1 1 0 1 1 1 4 1 2 4 28 4 1 1 1 1 2 9 1 3 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 2 1 1 0 0 2 4 1 1 3 3 2 5 29 8 2 4 3 4 1 2 5 6 4 2 2 0 3 3 3 6 3 7 9 6 7 3 1 0 2 2 1 0 0 0 0 0 3 4 1 5 10 2 0 1 4 100 35 3 0 0 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 1 1 2 1 1 1 1 1 1 3 2 7 19 3 2 12 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; 1HNMR: 78 77 dd 1H J 46 121 | 71 70 dd 1H J 43 121 | 46 45 tt 1H J 34 61 | 42 41 qd 2H J 11 64 | 24 23 tt 1H J 50 77 | 21 19 m 5H | 18 17 m 5H | 16 16 s 7H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCOCc1ccc(Cc2ccc(Br)cc2)cc1
ir: 4 3 3 6 9 5 3 7 6 4 8 5 6 8 1 3 2 1 1 1 2 2 1 2 2 1 3 4 4 2 1 2 1 3 1 2 2 2 7 3 9 2 2 4 5 8 13 20 16 10 6 8 8 18 21 19 100 31 21 6 3 3 2 3 2 3 10 4 12 25 3 17 4 5 11 17 3 6 4 2 1 1 2 2 1 2 2 7 2 2 2 6 30 17 12 13 5 1 4 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 3 2 4 3 2 4 8 6 9 6 8 7 6 13 6 2 1 1 1 1 0 1 1 1 0 1 1 2 7 7 12 26 20 9 4 9 8 6 2 0 1 2 1 0 1 2 1 1 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 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 5 2 1 1 2 2 1 2 6 8 27 93 57 64 11 10 13 5 4 4 4 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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: 75 74 m 2H | 74 73 dq 2H J 9 82 | 72 72 dt 2H J 9 78 | 72 71 dt 2H J 9 79 | 46 46 t 2H J 8 | 46 45 s 2H | 40 40 p 2H J 9 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC1=NC(c2ccccc2F)CN1C(=O)OC(C)(C)C
ir: 6 4 1 5 12 3 4 3 6 6 7 17 47 35 43 11 8 3 7 8 7 2 2 4 3 7 8 4 3 1 2 3 2 1 3 3 10 4 3 4 5 2 53 48 3 3 2 2 2 0 1 3 2 1 4 5 2 1 2 16 2 4 5 5 4 5 6 3 2 1 3 4 3 12 12 4 1 1 2 3 1 1 5 4 1 1 2 2 1 5 6 3 7 2 4 3 1 3 3 2 2 1 3 2 1 3 5 7 6 13 28 8 4 5 6 5 2 9 13 11 6 5 6 4 3 5 18 38 20 25 22 28 5 3 4 3 1 22 4 3 8 9 65 2 2 2 3 1 10 4 8 1 100 17 6 2 2 2 6 2 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 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 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 2 4 2 1 3 5 5 2 2 3 3 2 4 4 5 6 5 15 47 25 11 43 25 6 2 2 2 1 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 75 74 dddd 1H J 7 16 36 83 | 73 72 m 4H | 55 54 m 1H | 48 48 dd 1H J 38 101 | 46 45 dd 1H J 38 101 | 24 24 s 3H | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCl)[C@H]3[C@@H]1C[C@@H](F)[C@H]2O
ir: 1 1 1 1 1 2 1 1 3 2 1 2 1 1 1 3 2 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 1 2 0 1 1 1 1 2 3 4 2 1 2 1 1 1 1 1 2 0 2 2 6 3 1 2 1 1 2 3 3 2 1 1 5 7 8 5 4 7 3 13 11 8 8 2 3 1 1 2 1 2 1 0 1 1 2 2 2 3 3 7 2 3 2 2 2 1 2 1 1 2 1 1 3 2 2 1 1 2 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 0 0 1 1 4 2 4 2 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 2 2 3 5 4 6 3 8 2 1 0 1 3 3 100 4 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 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dd 1H J 7 90 | 67 66 dd 1H J 21 89 | 65 65 dt 1H J 8 20 | 64 64 s 1H | 48 47 dddd 1H J 7 42 58 77 | 47 46 dddd 1H J 7 42 58 77 | 39 38 m 1H | 36 35 t 2H J 34 | 34 34 dd 1H J 37 59 | 28 28 ddd 1H J 9 50 143 | 28 27 ddd 1H J 8 76 143 | 25 24 m 1H | 22 21 dddd 1H J 41 62 90 131 | 21 20 m 1H | 19 16 m 8H | 16 15 ddd 1H J 64 91 132 | 15 13 m 7H | 10 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1nnn(-c2ccccc2F)c1Cc1ccccc1
ir: 3 1 2 1 2 1 1 4 3 2 3 8 1 2 1 2 2 1 14 11 46 100 87 8 2 1 1 1 2 4 1 1 2 2 1 9 7 1 2 3 2 9 5 40 7 1 1 1 1 1 1 1 1 1 1 1 2 0 1 1 1 1 1 1 2 2 3 2 7 1 3 2 1 2 4 12 36 47 25 6 1 1 2 4 4 4 6 3 6 27 3 4 1 2 2 1 1 3 3 3 1 2 2 1 0 1 1 1 0 1 3 8 1 1 2 3 24 1 1 1 1 2 4 5 1 1 1 1 1 1 1 1 3 4 3 10 1 13 4 21 1 2 10 9 5 2 2 2 15 2 5 3 4 8 1 1 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 2 4 6 11 22 45 13 4 3 2 2 1 1 1 6 6 7 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 m 1H | 74 73 m 2H | 73 72 m 1H | 72 71 m 5H | 41 41 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCNC3)cc12
ir: 0 1 1 1 4 5 1 1 0 1 1 1 1 2 5 3 2 2 1 2 2 1 2 1 1 2 1 1 1 1 1 3 4 3 13 2 3 3 6 3 24 5 1 2 4 4 14 11 2 3 3 5 2 16 8 1 2 8 3 20 15 0 5 4 4 5 6 5 5 5 12 4 6 23 12 9 1 1 2 11 1 6 3 1 1 1 1 2 2 2 1 1 6 2 1 1 1 4 2 1 1 4 6 1 2 2 1 100 14 11 3 6 3 5 3 5 2 3 6 1 1 1 1 3 2 2 2 2 1 1 1 0 0 1 5 1 0 0 1 1 3 2 0 1 1 8 3 1 2 4 4 20 14 1 2 9 2 3 6 0 1 7 11 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 5 9 12 15 11 9 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 21 21 2 2 3 4 5 13 31 3 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 85 84 d 1H J 46 | 75 75 d 1H J 44 | 73 72 dd 1H J 23 121 | 70 69 m 3H | 61 60 tt 1H J 9 15 | 39 39 s 3H | 37 37 dd 2H J 9 33 | 33 33 dd 2H J 14 37 | 28 27 p 1H J 36
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2nc(S(C)(=O)=O)nc(Nc3ccc(Cl)cc3Cl)c2C1
ir: 1 1 1 1 4 3 1 3 1 2 7 4 4 5 4 1 0 1 1 1 1 1 2 1 1 2 3 3 0 1 1 1 1 2 2 1 3 8 7 2 6 8 3 2 1 1 1 0 1 3 1 1 2 3 3 10 3 1 1 1 1 1 1 1 1 1 2 7 3 2 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 5 1 0 1 1 1 0 0 1 0 1 1 1 2 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 2 5 2 2 1 4 5 5 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 4 0 0 6 2 3 100 0 0 2 17 2 0 1 1 1 3 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 3 3 6 3 6 6 2 3 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 2 1 1 1 5 15 9 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 74 74 d 1H J 21 | 73 72 dd 1H J 21 81 | 72 71 d 1H J 82 | 45 44 s 2H | 38 38 m 2H | 35 34 s 3H | 29 28 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1ccc2c(c1)CCc1cccnc1S2
ir: 2 2 6 5 9 7 8 5 2 3 2 2 3 2 3 5 1 2 3 1 1 1 2 2 6 5 4 4 3 5 3 8 2 13 5 13 12 20 88 23 3 6 1 3 4 1 1 2 3 6 5 14 14 14 16 2 7 5 2 9 6 21 25 12 7 3 6 7 18 2 3 3 2 3 4 2 3 2 2 7 8 29 9 1 1 4 8 2 3 8 19 28 21 8 5 7 4 5 3 4 10 15 29 11 1 1 3 1 3 2 2 2 3 4 1 6 4 4 4 5 25 15 15 34 40 12 11 13 7 7 5 2 4 6 5 3 1 1 5 8 10 4 11 30 89 20 12 5 27 15 3 0 6 17 42 13 9 1 1 1 1 3 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 1 2 3 8 9 2 4 3 3 2 3 16 21 21 40 100 43 21 5 2 3 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dd 1H J 21 39 | 73 72 ddt 1H J 8 19 74 | 72 71 m 3H | 70 70 dq 1H J 9 21 | 42 41 q 2H J 66 | 36 36 t 2H J 9 | 31 30 ddt 2H J 10 83 92 | 30 29 m 2H | 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.
CON(C)C(=O)c1ccccn1
ir: 6 9 8 8 17 5 8 6 2 3 3 2 2 3 3 3 5 5 3 2 2 3 5 6 11 8 4 6 20 8 6 31 21 8 9 47 58 14 7 7 5 11 8 4 3 5 4 0 2 4 4 2 11 18 32 16 5 6 4 1 3 7 8 1 17 18 3 4 6 9 8 8 4 4 2 1 3 4 5 5 12 6 4 6 4 3 2 3 5 3 1 1 3 3 1 2 4 4 4 3 7 12 6 9 17 6 2 3 4 3 1 2 4 3 1 3 6 5 5 11 8 8 14 30 27 12 4 7 8 22 47 14 17 35 14 10 38 9 7 4 3 2 2 6 7 3 9 29 5 2 13 18 7 9 5 7 6 47 39 7 3 2 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 6 4 2 2 4 3 1 4 5 4 2 3 6 5 5 17 27 33 100 55 11 10 5 3 2 3 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 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 87 87 dd 1H J 17 43 | 80 79 dd 1H J 14 79 | 78 78 td 1H J 16 76 | 74 74 ddd 1H J 13 42 73 | 36 36 s 3H | 32 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC(CNC(C)(C)C)COc1ncccc1C#N
ir: 4 2 4 21 2 2 1 1 1 1 5 1 1 2 2 2 1 1 2 3 3 4 4 3 1 2 9 1 2 2 2 2 13 2 1 1 1 7 29 88 7 4 11 5 7 14 4 1 5 3 2 1 2 2 1 3 4 3 3 5 9 4 18 14 5 1 4 3 2 2 1 2 7 3 3 1 1 1 3 2 2 1 1 1 1 27 8 3 2 2 2 4 4 6 2 7 6 6 3 5 10 5 3 4 1 2 1 2 4 8 1 2 2 4 5 3 50 37 10 4 6 5 0 10 5 4 1 6 7 23 14 35 25 33 22 8 7 3 7 2 1 1 2 2 81 27 6 3 1 1 1 2 2 1 11 9 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 33 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 5 1 2 2 4 4 2 2 2 3 2 4 6 16 5 4 8 11 5 2 3 2 2 2 2 2 2 1 1 1 2 1 1 3 7 41 100 13 3 2 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 dd 1H J 21 34 | 80 80 dd 1H J 22 64 | 72 72 dd 1H J 33 64 | 53 52 p 1H J 46 | 46 45 dd 1H J 48 143 | 43 43 dd 1H J 48 142 | 34 34 t 1H J 71 | 31 31 ddd 1H J 43 72 135 | 29 29 ddd 1H J 44 72 135 | 21 20 s 3H | 13 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.