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CCn1cnc2cc(Br)cc(OCc3ccccc3)c21
ir: 11 8 5 10 13 6 5 13 17 8 7 13 10 5 2 8 15 5 3 15 23 6 6 9 13 6 3 9 9 5 12 16 34 8 8 11 9 5 8 13 82 6 5 10 9 14 6 14 8 1 5 11 8 7 6 11 6 3 7 14 6 0 6 16 8 5 27 95 19 4 10 15 9 3 11 9 8 9 12 10 3 3 8 8 3 3 8 9 53 11 11 15 6 6 11 9 3 10 100 43 8 14 12 7 3 5 9 7 3 16 12 13 14 9 14 10 3 7 14 14 3 10 11 9 7 12 10 5 2 8 11 5 3 10 35 18 5 9 9 4 4 12 17 11 8 12 13 7 4 9 8 12 30 21 7 3 4 10 9 3 8 22 7 2 5 9 6 1 5 10 6 1 6 10 5 2 6 10 6 2 6 9 5 2 7 9 4 3 7 9 4 3 7 8 4 3 7 8 3 3 8 7 3 4 8 7 3 4 8 7 3 4 9 7 2 5 9 6 2 5 9 6 2 5 9 6 2 5 9 5 2 6 9 5 2 6 9 5 2 6 9 5 3 7 8 4 3 7 8 4 3 7 8 4 3 8 8 4 4 8 7 3 4 8 7 3 5 8 7 4 7 9 7 3 6 10 8 4 6 8 7 5 8 13 23 20 31 54 85 25 13 12 7 4 7 10 5 5 7 9 4 3 7 8 4 3 7 8 4 3 7 8 4 4 7 7 4 4 8 7 3 4 8 7 3 4 8 6 3 5 8 6 3 5 8 6 2 5 9 6 2 5 9 5 2 6 9 5 3 6 8 5 3 6 8 5 3 6 8 5 3 7 8 4 4 7 7 4 4 7 7 4 4 7 7 4 4 7 7 3 4 8 6 3 5 8 6 3 5 8 6 3 5 8 6 3 5 8 6 3; 1HNMR: 79 79 t 1H J 9 | 76 76 d 1H J 22 | 74 74 dq 2H J 10 74 | 74 73 m 2H | 73 73 m 1H | 70 70 d 1H J 20 | 51 51 d 2H J 9 | 42 41 qd 2H J 9 55 | 15 15 t 3H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21
ir: 11 11 26 19 9 6 6 3 8 2 3 6 1 28 8 10 5 3 3 2 3 3 3 1 3 7 4 3 2 2 4 11 7 3 6 1 3 2 3 4 3 2 2 2 5 2 3 52 8 2 7 0 6 1 2 3 2 3 2 3 16 4 3 4 10 3 21 5 17 5 3 0 2 2 1 1 2 4 7 3 4 4 2 10 4 35 8 7 3 2 3 7 17 7 6 4 3 2 1 2 32 3 8 3 3 3 4 2 3 5 6 5 11 4 6 8 8 8 15 13 3 3 5 4 5 8 63 45 3 6 5 4 2 4 4 3 1 8 44 11 6 5 3 27 20 1 2 4 3 2 100 4 7 1 1 5 3 0 1 2 2 0 1 2 12 1 2 3 8 1 1 3 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 2 2 1 3 10 5 5 5 10 4 6 9 8 7 9 13 12 7 31 24 9 5 2 2 3 3 11 50 11 5 2 2 2 2 2 2 2 2 3 9 5 7 9 8 9 4 3 4 2 2 1 3 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 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 81 81 s 1H | 75 74 m 2H | 72 71 dt 1H J 17 111 | 71 70 m 1H | 67 67 t 1H J 40 | 49 49 tt 1H J 24 59 | 34 34 ddd 1H J 22 38 119 | 32 31 ddd 1H J 23 40 121 | 28 28 dd 1H J 58 162 | 26 25 dd 1H J 58 162
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(c2ccccc2)CC(O)=C1CC(=O)c1cccc(C(F)(F)F)c1
ir: 2 7 3 8 0 10 1 4 7 3 7 6 3 2 7 16 16 9 3 7 12 29 40 19 12 8 8 6 6 1 6 19 8 8 18 66 72 24 2 2 5 8 16 7 2 2 4 21 3 1 2 4 2 1 2 6 10 2 1 1 1 1 1 1 4 1 7 24 8 16 5 4 1 2 3 4 7 3 3 8 3 5 2 1 2 2 1 2 2 2 13 8 11 13 5 19 42 28 48 46 29 29 48 9 0 4 13 8 3 5 7 13 6 5 26 14 7 2 5 4 7 6 12 6 5 5 19 4 10 8 4 4 10 5 4 7 3 5 29 26 63 6 11 13 27 54 4 3 2 1 1 3 4 7 1 7 19 3 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 0 0 0 1 1 1 0 0 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 3 7 5 2 2 3 3 5 7 7 8 13 10 40 68 14 33 30 100 22 8 6 3 2 3 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 81 t 1H J 21 | 79 79 ddd 1H J 12 21 75 | 77 77 ddd 1H J 13 22 108 | 76 75 dd 1H J 75 106 | 73 72 m 6H | 39 39 d 2H J 11 | 34 33 m 1H | 29 27 m 2H | 26 25 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2sc(S)nc12
ir: 25 2 3 2 0 26 11 2 2 1 1 1 5 1 1 4 4 2 1 1 1 1 1 1 1 2 2 2 2 1 1 2 2 6 2 2 2 1 21 2 2 2 2 2 2 10 17 5 2 2 2 3 3 2 2 1 1 2 2 1 1 2 1 1 2 5 10 5 3 2 2 1 3 100 24 5 4 2 1 1 2 2 2 1 1 1 1 1 2 1 2 2 2 1 1 2 8 2 2 1 2 3 2 2 4 2 2 2 1 2 1 1 2 2 2 2 2 3 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 2 4 7 7 8 9 2 1 2 1 1 1 2 1 1 1 1 1 1 1 4 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 0 6 99 4 3 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 2 2 2 2 3 4 3 3 37 26 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 23 61 | 74 74 m 2H | 25 25 d 3H J 6
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(Cn1cncn1)(c1ccccc1)c1ccccc1
ir: 0 1 1 0 1 1 9 1 2 1 1 2 1 0 1 0 0 0 0 0 0 8 1 1 1 1 1 1 1 5 6 7 9 6 3 2 2 54 3 4 11 32 6 2 1 1 1 1 1 0 0 0 1 0 1 1 0 0 1 0 1 1 1 1 2 1 2 5 4 2 6 1 4 5 2 2 1 2 2 2 5 7 12 7 1 1 0 0 0 0 2 1 4 20 2 2 0 6 3 2 3 6 3 1 1 0 1 0 1 1 1 0 0 1 3 13 2 1 2 2 4 6 1 3 1 1 2 1 2 1 1 2 0 3 4 12 12 2 1 1 0 2 3 7 12 8 4 1 2 0 1 2 2 4 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 2 2 2 1 2 3 1 2 6 14 100 29 65 11 2 3 3 3 62 3 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; 1HNMR: 83 83 dt 1H J 8 16 | 78 77 d 1H J 16 | 74 74 m 4H | 73 73 m 4H | 73 72 ddt 2H J 15 60 79 | 47 47 d 2H J 7 | 43 42 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CN(Cc2cccc(N)c2Cl)CCN1C(=O)C1CCCC1
ir: 2 5 3 3 1 1 1 1 1 1 1 1 2 1 2 1 2 2 1 0 1 0 1 0 1 1 0 0 0 1 2 2 2 1 1 1 1 1 2 0 1 1 1 1 1 1 2 3 5 2 1 0 1 1 0 0 0 1 1 0 0 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 4 6 1 1 1 9 1 0 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 1 2 1 1 1 1 1 4 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 0 0 1 1 2 6 1 1 1 0 1 7 10 2 1 1 1 13 11 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 4 2 2 2 7 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 9 1 1 0 0 0 0 0 1 2 1 6 100 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; 1HNMR: 71 70 m 1H | 70 70 dq 1H J 9 83 | 67 66 dd 1H J 14 78 | 41 41 s 2H | 39 38 qdd 1H J 27 55 81 | 38 37 m 1H | 37 36 m 1H | 36 35 ddd 1H J 34 59 112 | 35 34 ddd 1H J 34 59 114 | 32 31 m 3H | 30 29 dd 1H J 26 107 | 27 27 dd 1H J 55 106 | 19 18 m 2H | 18 17 m 2H | 17 16 m 4H | 13 13 d 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(COCCOc2ccc(CCO)cc2)c1
ir: 1 16 24 17 2 12 16 23 12 13 19 11 8 23 18 7 6 9 14 10 16 19 15 8 3 10 13 3 4 12 11 8 23 35 93 55 20 13 13 5 5 11 11 6 8 14 12 3 37 34 18 11 18 61 70 67 34 35 9 5 8 24 27 6 12 19 12 20 50 25 13 8 13 13 10 8 27 17 16 6 16 15 10 13 25 75 84 70 75 66 47 19 20 30 11 21 29 22 51 11 15 10 3 5 13 7 2 6 11 6 3 8 15 13 6 8 13 8 6 13 16 10 6 22 28 12 13 15 16 18 5 8 9 4 4 7 8 6 7 80 100 11 5 11 11 4 6 17 87 37 24 14 28 27 12 14 8 2 5 13 8 1 5 10 6 1 5 10 6 0 5 11 5 0 6 11 5 1 6 11 5 2 13 10 5 2 7 9 4 2 7 9 3 2 7 8 4 3 8 8 3 3 8 7 2 3 8 7 2 4 9 7 2 4 9 6 2 5 9 6 1 5 10 6 1 5 10 6 1 5 10 5 1 6 9 5 1 6 9 4 2 6 9 4 2 7 8 4 2 7 8 3 3 7 8 3 3 8 8 3 3 8 8 3 4 9 7 2 5 9 8 3 6 13 9 10 11 18 9 4 8 15 11 5 23 33 74 75 67 34 23 15 19 18 16 20 19 13 6 3 7 9 5 3 7 8 4 3 7 8 4 3 7 7 3 4 8 8 3 4 8 7 3 4 8 6 3 4 8 6 2 4 8 6 2 5 9 6 2 5 9 5 2 5 9 5 2 6 8 5 2 6 8 4 2 6 8 4 3 6 8 4 3 6 7 4 3 7 7 3 3 7 7 3 4 7 7 3 4 7 7 3 4 8 6 3 4 8 6 2 5 8 6 2 5 8 5 2 5 9; 1HNMR: 76 76 dd 2H J 15 55 | 74 74 tt 1H J 9 67 | 74 73 ddq 1H J 9 16 68 | 71 70 dt 2H J 9 86 | 68 68 m 2H | 45 44 t 2H J 8 | 42 41 t 2H J 49 | 38 38 m 4H | 28 28 tt 2H J 9 57 | 17 17 t 1H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncc(/C=C/C(=O)O)c(OC)n1
ir: 1 1 0 1 1 1 1 1 2 2 7 5 4 3 1 1 2 1 0 4 6 21 59 19 1 2 3 1 1 1 1 1 1 2 3 3 2 4 4 13 16 1 2 2 2 2 2 1 1 1 1 0 1 2 2 2 1 2 1 0 1 2 1 1 1 1 1 1 2 3 1 0 1 2 1 2 4 7 7 52 1 4 8 3 0 0 3 2 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 2 3 1 2 4 1 1 0 1 2 2 2 4 4 42 7 1 1 1 0 1 2 3 8 29 32 4 71 2 0 2 1 2 1 1 2 1 1 1 5 16 4 1 1 1 1 1 1 1 1 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 0 1 1 1 1 24 100 48 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 s 1H | 79 78 d 1H J 176 | 66 65 d 1H J 176 | 40 40 s 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(SCCCO)cc(-c2c(Cl)cc3c4c(cccc24)COC3)n1
ir: 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 1 1 0 0 0 1 0 0 0 2 4 1 1 0 2 1 2 8 7 10 16 3 2 3 1 1 1 1 0 5 8 4 7 4 2 2 1 1 1 2 1 1 1 0 1 1 1 2 1 1 2 2 3 3 4 3 4 1 2 1 1 1 1 1 2 1 0 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 1 3 4 6 7 8 12 13 7 2 1 1 1 2 5 1 0 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 2 1 2 2 3 0 1 0 1 0 2 5 1 2 1 0 1 0 1 1 1 4 4 1 1 0 0 0 0 0 0 0 1 12 100 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; 1HNMR: 78 77 dd 1H J 13 79 | 75 74 m 2H | 73 73 s 1H | 73 72 dq 1H J 10 77 | 62 61 s 2H | 49 49 d 2H J 9 | 49 48 d 2H J 7 | 36 36 q 2H J 54 | 32 31 t 2H J 73 | 30 29 t 1H J 56 | 20 19 tt 2H J 54 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#C/C=C/S(=O)(=O)c1ccc(C2(C(=O)O)CC2)cc1
ir: 5 8 7 8 8 7 11 11 7 6 7 9 10 16 12 7 10 13 22 26 33 66 63 17 8 18 10 7 6 6 6 5 5 6 7 5 6 6 6 5 5 7 6 9 7 6 7 5 7 8 6 7 5 8 12 32 7 7 6 5 6 7 7 4 10 19 7 7 8 11 6 6 7 10 10 13 10 19 28 16 29 9 11 30 7 11 57 16 9 10 8 13 6 7 8 14 8 6 6 7 10 6 5 5 6 5 5 5 6 5 5 5 6 6 5 6 6 6 7 13 15 11 36 41 37 18 8 8 5 6 5 5 5 5 5 6 6 5 6 7 6 6 7 14 62 13 9 11 16 15 8 8 12 7 6 5 5 5 5 7 5 6 5 5 5 5 5 5 5 5 5 5 6 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 6 6 6 6 6 5 5 6 5 5 5 6 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 5 5 5 6 5 5 5 6 6 6 5 6 6 5 5 6 6 4 5 6 6 4 6 11 10 15 19 15 12 51 10 17 9 5 7 12 6 0 61 100 21 17 5 2 7 9 4 4 6 7 4 4 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 79 78 m 2H | 75 75 m 2H | 73 73 d 1H J 170 | 64 63 d 1H J 170 | 17 16 m 2H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1c(C(O)C(=O)OC(C)(C)C)ccc2c3ccccc3n(Cc3ccccc3)c12
ir: 6 19 16 3 2 11 5 10 5 6 7 7 4 1 3 2 2 1 1 2 2 2 1 1 2 1 2 2 4 5 5 10 9 7 3 3 3 4 7 18 15 20 7 30 9 0 2 1 2 2 3 2 4 4 7 3 2 3 5 1 2 1 2 3 1 1 3 3 13 2 2 2 1 1 3 8 3 2 3 3 1 1 1 2 2 2 7 9 8 100 48 17 9 5 3 4 3 3 3 2 2 1 3 3 3 4 6 3 3 1 2 1 2 3 3 7 6 5 8 3 6 3 7 4 2 2 2 5 4 5 5 5 1 3 2 3 6 23 3 2 13 4 7 11 10 26 10 1 4 2 4 3 7 2 4 2 1 1 2 9 1 8 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 3 2 5 3 4 7 8 8 15 90 40 8 3 4 2 3 3 15 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 81 81 m 1H | 79 78 d 1H J 79 | 76 76 m 1H | 74 72 m 6H | 73 73 s 3H | 58 58 d 2H J 8 | 51 51 m 1H | 43 42 d 1H J 55 | 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.
NC(CCCCCc1ccccc1)CCCCC1C(=O)NC(=O)C1N
ir: 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 0 1 0 2 2 6 1 1 1 1 2 2 7 10 12 9 9 27 39 12 1 3 1 1 3 2 5 8 14 10 9 9 36 13 3 5 6 24 6 4 5 8 6 3 5 6 4 5 12 18 10 7 6 3 1 1 1 8 6 1 1 1 0 5 2 1 1 1 1 1 1 3 1 2 1 2 1 1 2 2 2 2 2 1 1 3 2 7 19 2 3 1 2 3 3 5 3 5 3 7 6 3 2 4 5 7 14 15 18 52 11 5 3 3 2 3 6 5 2 2 5 1 1 1 1 2 1 1 1 1 1 2 13 76 8 3 2 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 2 2 2 4 1 1 1 2 2 3 2 5 5 1 3 14 3 2 1 1 1 1 0 1 1 1 1 2 6 19 36 9 5 5 4 3 11 100 12 40 35 3 2 3 1 1 0 0 0 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 3H | 72 71 m 2H | 40 39 dt 1H J 48 60 | 37 37 d 2H J 48 | 29 28 dt 1H J 53 63 | 28 26 m 1H | 26 26 tt 2H J 9 79 | 19 17 dtd 1H J 53 84 148 | 16 15 m 5H | 15 12 m 13H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCC(c2cccc3c2OCCO3)N1Cc1cccc(-c2ccccc2)c1
ir: 1 5 3 2 2 2 2 4 1 1 3 2 2 4 4 1 1 2 2 2 2 7 5 1 1 3 4 5 5 3 2 5 7 4 2 13 4 6 6 5 4 50 8 1 2 3 3 2 35 8 5 1 2 3 3 3 4 1 1 1 1 2 1 1 1 2 3 10 7 3 5 13 2 2 3 1 4 3 3 2 1 2 2 1 1 1 1 1 2 3 3 7 4 4 2 2 2 1 2 5 2 2 2 4 2 2 2 2 2 2 8 1 2 4 1 2 2 3 2 5 5 3 6 7 10 5 2 4 2 2 3 5 3 2 6 10 7 13 10 9 37 10 3 6 8 4 3 7 28 9 5 6 4 2 9 2 1 7 2 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 3 2 1 1 1 2 35 7 12 33 100 30 6 3 0 4 2 2 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 76 75 m 3H | 75 75 ddd 1H J 14 22 79 | 75 74 m 3H | 74 73 m 2H | 70 69 m 2H | 69 68 dd 1H J 33 58 | 50 49 dt 1H J 9 124 | 48 47 m 1H | 44 44 dt 1H J 8 124 | 44 43 m 4H | 26 24 m 2H | 22 21 m 2H | 20 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(N)c(O)c(CO)c1
ir: 3 5 5 4 4 14 15 12 9 11 10 15 11 19 5 9 18 7 14 3 7 9 11 4 3 8 4 3 6 2 3 3 3 2 2 1 5 1 2 3 1 2 1 2 2 2 1 1 1 1 2 1 2 2 2 1 2 1 2 3 3 2 2 4 3 7 18 11 8 5 2 1 1 2 2 3 2 1 9 3 7 4 4 6 3 12 13 6 6 33 20 10 3 4 3 2 2 4 7 5 5 3 10 5 1 1 1 1 2 1 3 1 0 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 0 0 1 1 0 0 1 1 2 3 2 1 1 1 2 2 13 4 8 7 10 13 12 5 2 1 8 3 13 2 3 6 13 3 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 2 2 1 3 3 1 3 9 9 4 5 3 8 14 22 26 34 18 3 1 1 1 1 2 10 30 4 16 4 1 2 1 2 1 1 2 2 65 15 100 4 2 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 1 0 0 1 1 2 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 s 1H | 65 64 dt 1H J 9 20 | 62 62 d 1H J 22 | 46 46 dd 2H J 9 51 | 46 45 dd 1H J 48 62 | 38 38 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccccc1)c1ccccc1CO
ir: 2 4 8 3 3 5 6 8 23 14 21 30 12 31 20 26 68 30 22 12 5 5 10 12 11 6 7 4 4 4 16 21 6 15 25 3 7 30 24 4 13 100 40 0 2 9 5 4 4 6 3 0 3 6 5 1 6 6 4 2 7 13 12 10 11 8 5 2 6 9 3 2 4 7 7 7 7 13 6 3 14 12 4 6 26 24 8 2 5 7 8 15 13 9 3 17 79 71 24 18 8 10 3 3 5 4 2 3 5 3 2 4 4 9 1 4 6 3 1 4 8 5 2 4 6 4 2 4 5 3 1 4 7 4 23 13 12 28 5 6 24 21 7 5 5 3 4 5 12 22 4 6 5 3 4 6 4 5 10 6 3 2 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 6 3 2 4 4 3 2 4 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 3 2 3 5 4 3 3 6 4 1 4 6 4 4 12 21 38 24 27 13 9 7 43 52 36 17 10 5 4 3 4 4 3 2 3 3 3 2 3 4 2 2 4 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 79 79 m 3H | 76 75 m 3H | 75 74 m 2H | 73 73 ddd 1H J 13 72 84 | 47 47 dd 2H J 8 57 | 34 33 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)Cn1c(C(=O)O)cc2ccccc21
ir: 3 9 3 2 3 2 2 2 2 2 2 4 4 8 2 3 2 3 3 2 2 3 10 32 81 18 7 13 3 2 2 2 2 2 2 2 2 2 3 2 2 2 13 5 2 2 2 2 2 3 8 2 2 2 2 1 5 1 2 2 4 3 2 2 2 2 2 2 2 4 2 2 2 2 5 10 3 5 14 15 4 3 2 2 2 2 2 2 2 7 4 4 4 4 3 8 4 3 3 2 2 2 2 2 2 8 20 4 2 2 1 2 2 2 5 5 2 2 3 3 3 3 2 2 2 2 2 2 2 6 7 4 3 2 2 4 5 3 2 2 13 2 6 6 7 2 2 2 2 1 1 7 1 2 3 2 2 2 9 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 2 2 1 1 1 2 2 2 1 2 2 1 2 3 2 1 1 2 2 2 1 2 2 2 3 4 8 2 3 11 11 24 4 2 1 1 11 31 19 100 3 0 2 3 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 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 77 77 m 1H | 75 74 m 1H | 74 74 d 1H J 23 | 73 73 td 1H J 12 66 | 72 72 td 1H J 16 69 | 41 41 s 2H | 35 35 s 1H | 13 13 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOC(Cn1cncn1)(c1ccc(Oc2ccc(Cl)cc2)cc1Cl)C(C)C
ir: 0 1 1 2 3 5 8 8 4 7 9 3 2 2 3 1 1 1 2 3 4 2 1 1 1 1 1 1 1 1 1 3 13 11 2 3 1 1 2 1 1 1 2 2 2 4 2 1 1 1 1 0 2 17 19 36 8 5 6 1 2 4 3 6 6 8 6 6 12 5 10 15 2 4 6 8 15 6 6 8 3 1 1 3 3 9 4 1 1 2 2 2 1 4 2 5 3 10 6 1 0 8 2 3 4 1 2 2 2 2 1 4 5 2 1 3 6 3 7 9 11 8 5 10 9 7 1 2 2 3 6 9 2 2 3 3 1 1 1 1 1 1 1 1 1 3 11 3 5 2 4 17 5 7 7 1 1 0 0 1 1 1 2 0 1 1 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 0 0 1 1 0 1 1 7 3 1 2 1 2 2 3 2 2 4 5 7 10 9 20 44 100 49 13 14 6 3 1 2 1 1 0 0 1 0 0 1 2 2 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dt 1H J 9 16 | 78 78 d 1H J 16 | 75 74 m 2H | 72 71 m 3H | 70 69 d 1H J 22 | 68 67 dd 1H J 22 82 | 52 51 dd 1H J 9 148 | 48 47 dd 1H J 9 148 | 44 43 dd 1H J 25 81 | 42 42 dd 1H J 25 82 | 25 24 dq 1H J 68 137 | 24 24 t 1H J 25 | 11 10 d 3H J 68 | 10 10 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C)n(C[C@H]2C[C@@H]2C)c2c(OCc3ccc(F)cc3)nncc12
ir: 11 5 3 5 8 4 5 24 19 22 13 32 19 41 12 25 17 13 34 9 8 3 2 7 9 4 3 6 5 2 2 9 6 5 7 14 10 15 29 24 18 4 5 22 16 5 9 9 17 16 12 10 18 21 28 52 39 13 10 14 10 6 14 19 7 6 9 18 14 13 14 9 5 1 7 9 3 6 8 12 6 13 36 11 4 12 25 40 14 4 9 9 5 5 11 8 17 37 12 8 4 12 13 7 0 10 13 8 4 5 11 9 14 31 57 27 32 18 18 9 5 17 27 28 17 20 13 15 5 10 7 7 5 13 13 4 2 7 8 5 35 16 11 9 4 7 19 32 47 95 13 4 39 9 6 2 4 7 5 1 3 10 5 0 3 7 4 0 3 7 4 0 3 6 3 0 4 6 3 1 4 6 3 1 4 6 2 1 4 6 2 1 5 5 2 1 5 5 2 2 6 5 2 2 5 5 1 2 5 4 1 2 6 4 1 3 6 4 1 3 6 4 1 3 6 4 0 3 7 3 0 4 6 3 0 4 6 3 1 4 6 3 1 4 6 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 6 5 3 5 8 5 2 6 9 7 2 7 10 6 7 14 16 32 13 33 100 26 35 26 21 13 5 9 8 7 6 5 7 3 1 4 5 3 1 5 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1; 1HNMR: 90 90 s 1H | 75 74 ddt 2H J 9 35 79 | 73 72 m 2H | 54 54 d 2H J 9 | 44 44 dd 1H J 51 128 | 42 41 dd 1H J 51 128 | 22 22 s 2H | 21 21 s 2H | 14 13 m 2H | 11 10 m 1H | 9 9 d 3H J 57 | 8 8 td 1H J 54 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(CS(C)(=O)=O)c(C)c1Br
ir: 12 5 5 12 63 6 6 4 4 4 5 4 3 3 4 3 4 6 8 7 2 4 5 6 4 5 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 4 7 5 5 16 18 8 5 4 3 3 4 3 2 3 9 11 4 4 4 4 3 4 5 4 6 18 22 9 5 5 5 4 3 4 4 3 3 7 6 2 5 8 11 100 83 0 2 7 12 5 3 5 4 2 3 4 4 12 12 9 7 6 20 29 10 3 10 5 4 4 3 5 4 5 8 10 12 5 13 8 13 13 6 5 8 6 4 4 4 5 16 14 28 7 3 4 4 4 3 3 4 11 3 9 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 5 6 9 4 5 4 5 5 6 6 5 5 5 13 16 46 24 33 27 7 6 6 5 4 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 51 51 s 2H | 32 32 s 3H | 23 23 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.
COc1ccc(N=C(NC#N)Oc2ccccc2)c(OC)c1
ir: 5 3 5 5 8 3 7 9 5 4 8 4 2 4 5 1 7 3 6 8 4 7 8 6 12 5 9 4 6 6 7 8 6 4 5 6 5 4 5 8 59 14 5 3 4 6 3 2 2 2 2 2 1 2 2 19 5 2 1 1 1 2 2 3 2 2 4 7 14 5 2 4 5 6 6 4 1 2 5 2 1 1 1 1 1 1 1 4 5 1 1 1 2 1 1 1 1 1 1 1 1 1 10 2 2 2 1 1 0 1 1 1 1 1 1 1 2 2 4 3 3 4 2 2 2 2 3 3 3 11 34 8 2 2 7 13 3 1 1 1 2 7 3 54 9 4 13 4 13 18 31 24 14 13 10 5 1 1 1 3 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 2 3 3 100 5 0 3 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 0 2 4 4 8 16 85 37 16 3 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 4 6 17 50 37 6 6 5 4 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 2H | 74 73 m 3H | 72 71 m 2H | 67 67 dd 1H J 24 86 | 66 66 d 1H J 24 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCCCCCc1c(-c2ccc(O)cc2)sc2cc(O)ccc12
ir: 1 0 2 2 2 1 0 1 1 1 3 5 2 5 2 1 1 2 2 8 8 4 21 5 3 2 1 1 0 0 0 1 1 0 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 3 15 6 2 0 1 1 0 0 0 0 0 0 1 3 2 0 2 1 0 1 1 1 3 4 11 15 9 14 5 3 4 2 1 9 2 1 2 4 2 1 1 1 1 1 2 1 1 1 0 0 1 1 1 2 1 1 1 1 0 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 0 0 0 1 0 1 1 0 0 1 1 2 4 3 9 2 2 1 2 3 4 2 1 2 1 0 0 0 0 0 0 0 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 1 1 1 0 0 1 1 1 0 2 2 2 3 15 4 3 1 0 2 1 7 41 19 100 16 10 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 76 75 d 1H J 84 | 75 75 m 2H | 73 73 s 1H | 73 72 s 1H | 72 72 d 1H J 22 | 69 68 m 2H | 68 67 dd 1H J 22 84 | 31 30 t 2H J 78 | 23 23 t 2H J 90 | 17 16 m 4H | 14 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2c(F)cccc2c(CBr)c1F
ir: 2 1 1 1 2 1 1 1 1 1 2 2 6 1 1 2 2 5 0 1 2 2 4 7 2 1 8 33 19 4 3 2 2 2 8 3 2 2 1 2 2 2 3 3 26 46 5 3 8 4 1 3 2 0 1 2 1 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 2 17 18 6 5 2 2 1 1 2 5 2 1 2 1 1 4 3 1 1 1 2 1 1 9 3 2 5 7 3 2 1 1 2 2 1 2 1 1 2 3 3 1 1 1 3 16 4 3 15 4 2 2 2 1 1 4 2 2 5 3 6 100 2 3 8 1 1 4 5 8 1 2 1 1 1 1 1 0 1 2 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 1 1 1 1 1 1 2 3 2 1 2 2 2 1 2 2 5 3 5 33 38 2 3 3 2 3 2 1 1 1 1 2 1 1 2 2 2 1 3 3 1 2 4 12 31 9 5 2 4 3 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 97 t 1H J 48 | 76 75 dd 1H J 15 79 | 73 72 m 2H | 48 48 d 2H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2c(c1)OCC(N=[N+]=[N-])C2O
ir: 0 2 2 2 0 1 1 2 4 3 2 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 9 35 16 1 1 5 4 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 3 7 5 4 3 1 0 1 1 1 1 1 2 5 10 8 10 2 1 1 1 4 6 1 2 2 5 9 5 4 18 8 7 13 10 3 7 3 2 5 3 6 1 2 2 7 1 1 1 0 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 5 3 1 4 4 2 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 2 4 1 0 0 1 2 11 1 2 2 5 1 1 1 0 1 2 2 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 5 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 9 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 2 2 2 2 3 3 2 1 3 3 7 8 7 3 3 0 1 2 1 100 10 2 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 74 m 1H | 74 73 m 2H | 48 48 ddd 1H J 7 42 88 | 44 43 dd 1H J 59 101 | 41 41 dd 1H J 60 102 | 40 39 dt 1H J 60 88 | 29 29 d 1H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1O[C@H]2[C@H](OC(=O)[C@@H]2O)[C@@H]1O
ir: 3 2 4 1 4 2 2 1 2 1 1 1 1 1 1 1 1 3 2 1 1 1 3 2 2 1 2 1 1 1 2 1 2 2 2 1 1 1 1 1 1 3 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 2 2 2 1 1 4 6 3 1 2 2 2 4 9 6 2 1 1 3 2 5 13 29 52 100 11 17 7 9 10 16 13 15 11 3 5 3 1 3 3 2 1 2 2 2 1 1 3 5 6 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 1 0 0 1 1 6 11 12 1 2 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 6 8 4 2 1 1 1 1 1 1 1 0 2 3 6 21 40 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 53 53 ddd 1H J 7 37 69 | 52 52 ddd 1H J 13 56 70 | 47 46 m 2H | 39 39 dd 2H J 29 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)Oc1cccc(NC(=O)CC#N)c1
ir: 1 1 4 2 2 3 2 1 3 7 14 4 2 2 4 7 9 17 5 7 4 1 2 1 1 1 3 2 3 16 12 13 20 7 4 6 8 3 2 1 3 6 6 3 7 4 6 42 4 4 3 2 3 3 2 7 7 6 10 4 2 2 1 2 1 3 4 5 7 6 3 2 1 4 3 3 3 2 2 2 2 3 1 1 1 1 1 1 6 6 2 11 3 1 5 4 2 1 1 1 1 2 10 27 13 5 1 1 2 3 13 1 1 1 0 2 3 5 5 3 2 3 1 1 6 6 2 4 8 1 1 1 1 1 2 1 2 4 4 9 8 2 7 6 19 36 100 19 5 4 3 3 5 3 2 5 31 15 3 2 1 4 13 4 4 2 1 1 1 0 1 1 0 0 1 1 1 0 3 20 3 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 1 1 1 1 1 2 2 1 2 2 2 1 2 2 7 3 3 5 7 8 33 42 15 4 9 6 7 2 1 2 2 1 1 2 1 1 1 3 2 2 4 3 21 25 13 11 24 5 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 96 96 s 1H | 75 74 t 1H J 22 | 74 73 ddd 1H J 13 20 79 | 73 73 t 1H J 79 | 71 71 ddd 1H J 14 21 77 | 63 62 dq 1H J 9 19 | 61 60 dq 1H J 15 29 | 37 37 s 2H | 20 20 dd 3H J 7 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(NCC(c2ccccc2)c2ccccc2)c2cccc(N)c2)cc1
ir: 16 8 7 7 6 5 6 3 8 3 7 3 1 2 5 5 3 2 4 3 2 4 11 3 3 1 1 2 1 4 6 13 12 2 7 2 3 5 4 19 12 16 13 21 7 4 9 4 9 17 6 8 5 5 12 6 3 5 3 3 3 2 8 7 7 4 3 3 8 10 4 4 2 2 2 5 3 2 9 6 3 7 17 11 4 3 1 2 5 3 5 8 4 3 1 1 6 9 3 6 2 1 1 1 3 3 5 30 22 10 5 1 1 1 0 2 2 2 6 2 2 10 4 6 2 2 5 7 5 3 2 4 2 5 11 12 6 2 1 2 8 17 7 8 9 8 3 4 10 15 13 10 29 55 22 7 11 100 3 4 3 3 32 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 1 1 0 2 0 1 2 3 4 4 2 8 5 18 51 51 16 8 4 1 2 2 1 1 0 1 1 1 1 2 2 9 12 31 35 9 2 1 1 0 1 1 2 5 30 51 3 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 12H | 72 71 m 2H | 71 70 ddt 1H J 8 20 82 | 69 68 m 2H | 67 67 td 1H J 7 22 | 67 66 ddd 1H J 12 21 75 | 51 50 dd 1H J 10 71 | 43 43 td 1H J 9 48 | 38 38 s 2H | 35 34 s 2H | 33 32 ddd 1H J 48 58 134 | 31 31 ddd 1H J 48 59 136 | 28 28 dt 1H J 59 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2
ir: 2 2 3 2 2 2 5 3 2 3 3 2 1 4 3 2 1 3 6 12 2 3 2 2 1 3 2 1 1 2 4 2 7 4 12 14 4 4 3 2 3 8 3 77 6 1 2 4 2 2 3 6 2 100 3 0 4 3 2 1 4 4 3 11 3 4 2 1 3 4 3 2 2 3 2 2 2 2 2 1 2 4 3 15 5 3 2 2 4 4 3 18 7 11 5 3 3 5 20 27 26 9 3 2 3 4 2 2 2 2 1 2 3 3 4 3 4 3 6 4 3 3 4 6 4 4 2 2 2 2 2 3 2 3 4 4 5 12 4 5 10 3 3 3 3 2 3 27 9 4 2 5 2 1 2 3 2 2 5 4 3 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 3 2 2 3 4 6 11 7 22 52 22 6 6 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 75 75 dd 1H J 15 73 | 74 72 m 3H | 71 70 dt 1H J 9 84 | 70 70 dd 1H J 15 74 | 39 39 s 2H | 39 38 dt 4H J 58 156 | 32 31 t 2H J 59 | 29 29 td 2H J 9 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(F)cccc1OCC1CCCC1
ir: 6 3 0 3 7 5 0 4 6 3 1 4 6 3 1 4 6 3 2 4 5 2 2 7 6 3 2 5 5 3 5 6 10 9 11 6 4 1 2 5 5 1 4 8 6 7 5 25 79 6 3 5 4 1 3 7 4 1 3 7 4 3 4 7 3 2 5 6 3 2 4 7 5 4 10 11 4 3 4 5 2 2 5 5 2 2 4 4 2 2 5 5 2 4 5 4 1 2 5 4 1 3 6 6 9 13 6 6 3 7 15 7 3 7 6 4 1 4 5 3 1 3 5 3 1 4 6 3 1 4 5 3 5 8 6 2 2 5 6 24 4 5 5 1 2 5 6 2 2 5 4 2 2 4 6 16 4 10 5 1 3 5 4 1 3 5 3 1 3 6 3 0 3 6 3 0 3 5 3 0 4 6 5 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 2 3 5 4 2 3 6 7 4 3 6 4 2 4 8 7 3 11 100 24 2 5 6 3 2 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1 3 5 3 1; 1HNMR: 74 73 td 1H J 51 78 | 71 70 ddd 1H J 12 79 101 | 69 68 dd 1H J 11 77 | 41 40 d 2H J 44 | 19 19 m 1H | 18 17 m 2H | 17 16 m 2H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncc(C)c(-c2ccccc2)c1C(=O)OCC
ir: 19 6 7 9 22 48 31 16 8 13 33 17 45 18 3 9 2 6 7 51 11 6 3 4 8 3 5 3 2 7 11 13 40 7 3 8 9 16 10 5 18 24 25 23 6 4 10 2 5 3 2 3 4 8 4 10 7 8 2 0 2 4 4 2 2 3 4 17 15 2 6 10 11 13 21 10 47 77 16 6 5 12 13 29 41 4 1 3 3 2 1 5 64 12 10 45 8 3 1 9 45 5 4 5 10 5 5 3 3 2 2 8 33 17 7 8 8 6 5 11 5 3 2 11 11 14 8 8 21 31 25 43 20 11 53 9 6 3 5 16 40 45 24 25 20 47 22 18 12 7 16 5 8 80 5 5 8 11 4 4 24 2 1 2 2 1 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 0 0 2 2 0 1 2 1 2 2 4 6 3 3 3 3 1 5 3 3 3 3 8 8 17 33 39 67 100 45 12 7 10 8 5 4 1 2 3 2 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 s 1H | 75 74 m 4H | 74 73 m 1H | 45 44 q 2H J 64 | 44 43 q 2H J 64 | 24 24 d 3H J 7 | 14 13 dt 6H J 64 170
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(COc2ccc(Cl)cc2OC2CN(C(=O)OC(C)(C)C)C2)n1
ir: 4 8 2 3 3 3 6 4 3 4 2 1 2 2 2 2 2 4 3 9 14 8 4 4 2 4 3 3 22 16 9 3 2 1 2 2 2 5 2 1 2 2 0 1 0 0 0 1 1 2 3 3 3 4 11 16 7 2 4 2 3 3 2 1 5 19 27 26 7 6 2 0 8 3 2 2 1 2 1 0 1 2 1 1 2 5 1 3 2 5 6 2 3 2 3 4 4 2 1 1 2 2 1 1 1 4 2 6 4 3 6 6 3 2 2 2 4 22 6 5 6 9 8 4 3 2 2 5 2 8 12 7 3 1 2 2 5 9 25 35 8 5 5 10 2 1 1 5 20 100 26 4 4 4 1 0 0 0 1 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 2 2 1 1 2 3 4 3 3 1 4 4 7 19 5 21 17 7 8 4 3 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 71 dd 1H J 21 89 | 69 69 d 1H J 22 | 68 68 d 1H J 89 | 53 53 s 2H | 48 48 p 1H J 31 | 42 41 dd 2H J 30 109 | 39 39 dd 2H J 31 108 | 24 23 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.
[N-]=[N+]=Nc1ccc(C(=O)NCCCCCCN)cc1
ir: 2 5 7 5 7 3 2 3 5 2 3 1 3 2 2 4 3 2 3 3 2 5 9 3 2 1 2 1 3 3 4 4 4 1 1 2 1 2 3 9 10 31 11 21 13 9 11 5 5 2 4 7 2 3 5 34 22 18 8 35 19 12 13 12 49 20 7 7 25 23 43 15 10 4 4 5 3 4 2 1 4 20 7 2 1 2 1 2 1 3 3 6 3 2 2 4 6 2 3 3 2 2 1 1 2 5 9 8 11 6 7 4 13 6 5 5 6 5 10 11 15 9 14 14 12 5 5 14 8 6 8 11 10 65 19 25 8 11 17 5 11 17 6 43 25 18 9 10 6 18 12 1 1 2 2 1 1 2 6 3 1 0 0 0 0 1 1 0 3 14 5 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 1 0 0 0 1 0 0 1 6 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 1 1 0 0 1 0 1 0 1 1 0 1 1 2 2 5 4 4 3 1 2 1 1 2 5 10 1 4 10 30 18 10 6 4 2 2 2 2 6 9 9 11 41 20 31 31 12 7 9 5 100 82 24 49 29 12 3 1 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 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 0 0 0 0; 1HNMR: 77 77 m 2H | 71 71 m 2H | 67 66 t 1H J 50 | 33 33 q 2H J 53 | 28 28 m 2H | 27 26 m 2H | 16 15 m 2H | 15 14 m 4H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSc1ccnc(C2Cn3c(nc4ccccc43)S2=O)c1C
ir: 19 9 0 6 11 4 1 8 9 5 1 6 11 11 11 11 30 5 3 8 8 4 3 11 7 4 2 6 6 3 2 7 6 3 7 9 10 12 18 12 15 8 100 57 15 27 14 8 7 1 4 9 5 5 4 8 4 2 10 12 4 2 7 8 5 6 16 7 11 52 18 10 5 15 45 45 20 7 6 6 4 4 9 11 7 3 6 7 3 4 18 13 6 5 12 8 15 8 9 7 5 4 8 5 2 18 14 11 30 12 23 10 4 9 10 14 8 14 21 12 5 13 11 4 12 16 7 7 4 19 12 9 4 9 11 48 5 8 9 21 5 8 7 4 33 22 11 18 22 70 44 8 7 5 6 9 47 84 7 0 3 9 6 0 3 8 5 0 4 8 4 0 4 8 4 1 4 8 3 1 5 7 3 1 5 7 3 1 5 6 3 2 5 6 2 2 5 6 2 2 6 6 2 2 6 5 2 3 6 5 2 3 6 5 1 3 7 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 4 7 3 1 4 6 3 1 5 6 3 2 5 6 3 2 5 6 2 2 5 5 3 3 6 6 2 3 6 5 2 4 6 5 2 4 8 6 3 7 9 11 8 9 17 11 13 11 39 53 29 20 41 51 17 10 9 4 3 6 7 4 3 5 7 3 2 5 6 3 2 5 5 3 2 5 5 2 2 5 5 2 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 1 4 6 4 1 4 7 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 3 6 4 2 4 6 4 1; 1HNMR: 84 83 d 1H J 46 | 78 78 dd 1H J 14 68 | 76 75 dd 1H J 14 73 | 75 74 td 1H J 14 69 | 74 73 td 1H J 13 72 | 69 68 d 1H J 46 | 52 52 t 1H J 54 | 49 48 dd 1H J 53 165 | 46 46 dd 1H J 54 164 | 30 29 q 2H J 62 | 24 24 s 2H | 14 13 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)c1ccc(-c2nc3cc(C#N)cc(Br)c3o2)cc1
ir: 7 15 8 8 15 7 4 8 4 3 4 4 4 4 2 7 6 24 16 11 7 6 15 2 1 1 1 1 2 9 2 2 1 1 10 1 3 5 5 11 1 3 3 1 1 3 1 1 1 2 1 1 2 3 4 22 53 7 11 2 1 1 2 0 1 3 7 9 13 13 22 2 1 1 2 2 1 1 1 1 1 1 1 8 1 1 1 2 10 1 2 1 1 1 2 1 1 1 6 6 11 1 1 2 1 2 1 1 1 1 1 1 3 4 3 41 10 8 23 7 7 6 10 39 5 3 3 8 50 12 0 2 2 3 1 100 3 2 22 4 3 5 12 20 86 25 9 5 2 2 4 5 2 4 3 17 2 2 1 75 2 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 4 3 7 8 12 62 11 13 6 4 3 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 m 2H | 80 80 m 3H | 79 79 d 1H J 22 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](n1ccn(-c2ccc(-n3ccnn3)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
ir: 4 3 2 3 2 4 4 6 4 4 8 8 6 3 3 4 4 3 3 3 4 3 7 5 2 2 2 3 3 2 2 2 4 5 3 7 28 13 9 4 4 2 2 5 8 11 38 10 7 4 5 14 61 17 18 34 9 6 3 0 2 3 2 2 3 4 3 11 6 15 3 1 4 10 3 3 3 5 4 6 18 4 2 3 4 3 5 4 5 4 4 5 15 18 6 3 6 9 3 6 12 4 4 6 6 4 3 6 8 4 3 3 4 4 10 7 4 3 5 5 6 4 10 7 8 7 5 5 9 9 5 3 3 3 6 2 2 2 2 2 2 2 7 11 11 21 12 21 7 11 14 4 26 8 3 4 2 1 5 2 2 6 18 4 6 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 1 2 2 1 2 2 2 2 2 3 5 2 2 2 2 2 3 3 4 4 5 10 6 16 19 24 43 100 69 51 14 6 4 5 4 21 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 1 2 2 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 85 d 1H J 22 | 82 81 dt 1H J 8 17 | 80 80 d 1H J 24 | 78 78 d 1H J 16 | 77 76 m 2H | 76 75 m 3H | 73 73 dt 1H J 46 78 | 69 68 m 3H | 50 49 m 2H | 50 49 s 1H | 47 46 dd 1H J 8 147 | 13 13 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cn([C@@H]2CC[C@@H](O)CC2)cn1
ir: 2 5 4 2 1 2 4 2 1 4 4 2 1 2 3 3 4 3 4 2 3 2 3 1 2 2 2 2 3 5 9 16 34 15 7 6 8 5 5 7 10 6 18 3 5 4 4 2 2 3 2 0 5 10 12 5 6 6 3 3 5 3 3 1 3 5 12 1 3 4 3 4 5 4 3 2 2 3 2 2 15 9 64 20 7 13 12 20 19 18 15 23 29 27 24 22 7 9 3 4 5 5 7 34 20 11 23 15 46 76 25 44 15 15 0 21 29 17 13 15 4 11 15 13 3 7 13 6 10 5 2 2 2 2 2 3 3 1 2 2 2 1 1 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 1 3 3 1 2 2 2 1 1 2 3 1 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 3 2 2 5 6 9 12 6 25 15 15 27 22 6 17 12 22 83 49 14 13 6 31 100 28 19 7 21 47 41 22 25 9 3 5 6 3 2 4 3 2 2 4 4 6 4 4 3 2 2 7 4 3 2 2 2 1 2 3 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 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; 1HNMR: 99 99 s 1H | 77 76 m 1H | 75 75 m 1H | 41 40 m 1H | 39 38 qt 1H J 33 57 | 28 28 d 1H J 57 | 19 17 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CN1C(=O)C2(COc3cc4c(cc32)OCCO4)c2ccccc21)Nc1ccccc1F
ir: 1 1 2 1 5 6 1 3 11 2 3 1 1 2 2 1 1 1 5 3 3 1 2 1 1 3 7 1 1 3 4 2 14 5 3 3 3 13 15 19 5 11 12 100 37 11 10 5 4 3 3 2 3 4 8 1 2 1 1 0 2 2 0 3 9 4 3 3 23 4 3 7 2 1 4 8 6 1 1 0 0 0 2 6 9 5 4 1 2 6 5 2 4 2 6 1 1 1 1 4 0 5 4 1 1 1 5 2 1 1 2 2 3 19 1 3 5 5 9 5 6 6 1 4 2 6 1 1 1 4 2 10 4 1 1 2 38 57 12 3 3 1 8 2 2 2 12 40 65 19 11 13 15 3 4 16 1 2 1 10 11 3 6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 1 3 1 1 1 1 1 2 4 16 10 10 37 34 10 4 2 2 1 1 1 1 1 1 1 1 1 1 0 1 3 2 2 4 17 40 23 25 2 4 2 1 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 93 d 1H J 31 | 77 76 ddd 1H J 14 36 90 | 74 73 m 1H | 73 72 m 3H | 72 71 m 2H | 71 70 tdd 1H J 15 40 82 | 70 70 s 1H | 66 66 s 1H | 51 50 d 1H J 115 | 48 48 m 2H | 46 46 d 1H J 143 | 43 43 m 2H | 43 42 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCO[C@@H]1CC[C@@H](N)CC1
ir: 5 2 2 3 4 2 0 2 5 1 0 3 4 1 0 2 3 1 0 2 3 2 1 3 3 1 1 3 3 0 1 3 3 1 1 3 3 1 1 3 2 1 1 5 3 1 1 4 3 0 2 9 14 7 10 35 37 21 44 17 9 8 2 8 3 2 3 5 4 4 4 6 4 6 6 21 8 4 4 4 3 6 4 10 4 2 3 3 1 1 3 3 1 2 3 3 1 1 3 2 0 2 4 3 1 3 4 5 2 2 4 3 1 2 3 2 1 3 4 4 1 6 6 3 7 12 10 9 7 8 6 12 23 7 11 11 28 14 8 2 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 1 2 4 3 1 2 4 2 3 5 7 3 1 2 3 2 0 2 3 2 1 2 3 2 1 4 11 22 16 20 20 7 4 6 12 89 10 10 100 7 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 38 37 tt 1H J 30 55 | 36 35 q 2H J 64 | 31 30 m 1H | 17 16 m 2H | 17 16 s 1H | 16 16 d 1H J 22 | 16 15 m 2H | 16 15 m 2H | 15 14 d 2H J 64 | 12 11 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1ncc(C#N)c(=O)[nH]1
ir: 0 1 1 1 3 1 1 1 0 2 2 1 1 2 3 6 1 1 1 1 2 4 3 1 0 1 1 1 1 3 5 1 1 2 3 1 1 3 3 5 1 2 6 20 2 5 8 22 14 100 10 5 4 2 1 1 6 9 2 1 1 1 1 3 2 1 2 3 1 1 2 4 11 4 3 5 3 2 1 0 1 1 1 4 1 1 1 0 1 1 0 1 2 2 1 1 1 3 0 1 1 1 1 1 1 1 1 1 1 1 0 2 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 4 3 12 2 2 12 1 2 2 1 0 1 3 6 26 9 5 2 1 2 3 2 1 3 7 2 2 7 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 0 1 1 1 0 1 1 1 1 2 1 2 36 13 3 5 4 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 17 15 8 5 1 2 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 dd 1H J 16 75 | 81 81 s 1H | 76 76 m 1H | 72 71 td 1H J 13 76 | 71 71 dd 1H J 13 84 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CO)N1CCOC(COc2cccc(Cl)c2)C1
ir: 14 14 18 14 6 29 16 40 15 23 34 30 27 53 45 10 12 12 8 7 4 12 12 6 6 36 18 10 18 8 7 5 5 4 5 3 4 4 3 2 6 7 6 2 7 10 75 23 25 17 4 4 8 7 11 10 8 6 7 7 10 14 6 9 6 7 29 14 14 9 9 6 6 19 11 19 10 7 29 56 26 21 24 11 18 8 16 58 84 48 66 56 27 42 37 14 13 7 3 17 16 7 1 3 6 6 2 3 4 3 0 3 3 6 3 3 5 4 4 4 7 4 5 7 7 8 5 4 3 1 2 3 3 1 3 4 4 2 4 14 30 6 1 2 2 1 1 2 2 1 2 14 4 7 15 8 3 1 1 4 7 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 1 1 2 1 0 1 2 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 2 3 5 4 3 4 5 4 2 4 4 5 9 13 18 40 100 46 7 4 3 3 11 16 42 12 3 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 73 72 t 1H J 80 | 71 70 ddd 1H J 13 22 81 | 69 68 m 2H | 43 42 dd 1H J 42 121 | 41 40 p 1H J 42 | 40 40 dd 1H J 42 121 | 38 38 ddd 1H J 33 60 102 | 37 36 m 2H | 36 35 t 1H J 65 | 35 34 ddd 1H J 49 65 106 | 30 29 dd 1H J 40 117 | 28 27 m 2H | 27 26 m 2H | 12 11 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C=C(\CC(O)(C(=O)OCC)C(F)(F)F)c1cccc(F)c1OC
ir: 25 17 21 8 11 10 22 13 7 3 7 14 7 5 3 3 4 3 4 4 4 2 2 4 3 2 2 3 3 2 3 5 5 2 2 5 3 2 4 9 8 3 3 4 4 4 7 40 37 0 3 4 3 0 2 4 2 0 2 6 9 3 4 6 8 6 4 7 3 3 3 4 7 4 8 5 2 20 17 5 3 2 4 4 5 13 7 9 4 3 17 20 16 26 51 7 4 3 2 3 8 4 4 14 3 2 3 2 3 7 5 6 2 3 6 5 8 7 12 11 20 16 6 4 3 5 10 3 4 8 5 2 1 3 4 5 7 4 17 7 3 4 3 3 7 24 6 2 1 3 3 1 1 6 5 1 5 4 2 1 3 3 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 3 3 2 3 2 2 2 3 4 3 3 3 3 5 6 5 12 4 11 42 40 11 5 1 6 12 37 100 15 1 5 5 1 0 3 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 73 72 dd 1H J 13 79 | 72 71 ddd 1H J 14 81 102 | 71 70 td 1H J 51 80 | 59 58 qt 1H J 15 51 | 44 43 q 1H J 33 | 43 42 m 2H | 39 38 s 2H | 36 35 m 1H | 33 32 m 1H | 18 18 dt 3H J 10 53 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(Cl)(c1ccccc1)c1ccccc1
ir: 0 1 1 1 0 1 1 1 1 2 2 7 5 2 2 4 7 3 3 5 3 2 3 0 0 1 2 1 3 9 32 22 15 8 5 5 2 2 3 21 89 35 23 7 2 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 2 0 2 4 6 7 7 15 20 6 6 3 4 4 3 5 6 7 3 2 1 0 1 1 1 0 1 1 0 0 1 1 1 4 2 1 0 1 1 1 1 1 1 1 1 4 15 3 2 2 4 17 6 2 2 2 0 1 1 1 1 2 2 6 3 2 1 1 1 2 2 4 33 67 26 1 1 2 2 1 7 22 35 36 9 6 3 3 2 3 10 11 3 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 14 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 2 3 5 3 9 18 49 60 100 6 6 5 2 4 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 m 4H | 74 74 m 4H | 73 73 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)n1-c1cc2n(n1)CCNC2
ir: 2 2 2 2 2 2 4 3 2 3 2 5 9 14 2 2 4 2 2 2 2 2 1 3 2 2 1 2 2 5 2 4 3 1 1 2 4 1 2 2 2 1 1 2 2 3 24 11 20 12 30 15 6 20 94 3 13 100 27 5 3 4 14 5 5 6 6 5 21 14 6 2 4 9 3 4 8 2 3 7 3 2 2 2 5 2 2 2 1 2 2 2 2 2 2 2 1 2 1 2 4 12 5 3 1 3 10 16 25 7 13 66 22 11 11 23 47 10 4 3 6 2 4 3 6 4 3 4 21 10 2 5 23 43 14 25 4 5 3 1 2 6 3 1 1 15 5 3 3 3 2 1 17 4 2 5 2 0 14 17 3 3 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 2 2 3 2 3 4 6 3 2 3 3 2 3 4 8 22 4 4 12 18 33 36 5 3 2 3 4 2 1 2 4 2 4 4 4 5 6 26 94 13 9 3 2 3 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 60 59 d 1H J 10 | 56 56 s 2H | 41 40 m 2H | 40 40 dd 2H J 9 42 | 32 32 p 1H J 40 | 31 30 m 2H | 23 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1O[C@@H](COc2ccon2)CN1c1cc(Br)ccn1
ir: 3 6 5 4 11 14 3 9 21 6 14 5 5 4 15 15 8 2 1 1 2 2 1 2 2 2 2 2 2 3 2 3 4 15 16 4 2 1 1 1 1 5 6 1 3 6 1 1 1 0 1 1 1 1 1 1 1 0 2 1 3 8 2 3 4 21 30 15 19 5 4 7 5 5 6 5 3 1 2 2 5 4 7 20 9 3 3 11 25 14 2 1 3 2 2 2 2 2 1 5 4 2 1 1 4 2 3 1 2 2 3 3 3 2 4 1 5 6 2 4 7 2 4 4 2 1 0 1 3 5 16 3 1 1 1 2 16 26 26 2 3 2 3 12 3 3 27 28 4 4 5 100 27 2 3 2 3 2 6 31 43 4 1 3 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 1 1 1 3 2 2 1 3 2 2 3 4 10 6 6 14 36 42 8 4 2 1 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 1H J 42 | 81 81 s 1H | 74 74 d 1H J 21 | 73 73 dd 1H J 22 42 | 57 57 s 1H | 52 51 m 1H | 44 43 dd 1H J 55 137 | 43 43 dd 1H J 30 137 | 42 41 dd 1H J 55 137 | 41 40 dd 1H J 48 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C#N)c(F)cc1-c1cnn(-c2ccc(C(=O)N3CCOCC3)cn2)c1O
ir: 1 2 1 1 2 2 4 2 2 5 2 8 5 2 3 18 5 3 5 4 7 8 2 2 1 1 1 2 3 5 7 5 3 3 2 3 2 7 1 1 1 1 3 4 6 3 3 12 6 2 1 1 2 1 3 9 4 7 3 2 3 5 34 2 11 3 6 13 12 3 5 12 3 7 2 2 1 1 2 3 42 3 23 4 5 17 17 10 3 3 1 3 7 6 14 4 11 14 10 3 5 4 2 1 4 3 4 19 1 2 5 6 9 19 0 6 4 4 3 5 4 4 10 9 9 10 3 3 1 2 3 6 3 8 2 3 4 6 8 3 3 9 14 7 2 10 14 2 3 1 2 2 18 8 1 1 1 1 1 1 1 11 1 1 1 1 3 9 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 1 1 1 1 1 1 2 1 1 2 2 4 4 3 2 8 4 14 2 4 2 3 6 9 13 90 4 20 36 47 5 9 9 5 3 5 100 6 3 2 0 1 2 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 1 1 1 1; 1HNMR: 93 92 s 1H | 87 87 d 1H J 19 | 84 84 s 1H | 82 82 dd 1H J 20 86 | 81 80 d 1H J 86 | 77 76 m 1H | 73 72 d 1H J 121 | 37 36 m 4H | 36 36 m 4H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NC(=O)C(C#N)=CNc1ccc(C(F)(F)F)cc1
ir: 3 6 5 6 11 7 5 5 6 8 8 14 3 5 5 2 13 3 5 3 2 3 3 3 2 6 7 3 3 4 4 2 2 3 6 3 2 3 3 2 2 4 3 2 3 5 4 3 3 4 3 3 4 4 5 8 13 9 19 13 11 17 9 3 3 5 4 2 3 4 6 2 3 5 4 3 3 3 2 2 3 3 2 3 4 3 3 5 5 3 2 2 3 3 2 2 4 3 0 8 10 4 2 3 6 12 11 4 4 4 4 4 11 5 2 3 4 3 3 3 4 3 3 3 4 6 24 4 4 3 2 3 3 2 2 3 3 9 7 13 24 5 3 3 3 5 3 4 7 68 16 4 100 93 4 6 4 1 2 4 21 2 3 7 18 3 3 4 3 1 2 4 3 1 2 4 2 1 2 3 2 1 2 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 4 3 2 2 4 4 7 7 3 13 14 13 8 3 3 3 4 3 1 3 4 2 1 3 4 3 3 3 4 3 4 7 12 29 53 23 13 11 4 4 4 4 3 4 4 4 4 4 4 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 86 86 s 1H | 78 78 d 1H J 70 | 77 76 dq 2H J 14 74 | 72 72 m 2H | 42 42 q 2H J 63 | 13 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CNC2=Nc3ccc(NC(=O)CCl)cc3CO2)o1
ir: 4 4 5 8 7 11 9 11 34 10 14 14 12 7 12 5 3 4 5 4 3 4 1 2 4 3 3 3 8 8 17 9 18 7 3 2 3 2 2 3 2 3 3 2 4 4 4 5 2 3 4 6 6 9 10 6 18 8 6 4 1 1 2 1 4 5 9 4 7 8 4 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 4 6 5 2 1 3 2 1 2 7 3 1 2 4 2 2 2 3 17 3 3 3 3 3 4 2 3 2 2 1 9 4 12 6 6 7 10 5 8 7 6 12 2 3 3 3 3 2 3 2 1 1 4 6 13 8 7 10 14 100 23 13 4 7 17 38 14 22 14 2 3 2 0 1 2 1 4 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 2 2 4 5 6 10 6 12 10 15 18 9 4 3 1 2 6 2 1 1 1 2 1 1 2 1 2 3 2 3 7 24 50 70 38 12 5 9 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 95 94 s 1H | 75 75 m 2H | 73 72 d 1H J 86 | 72 72 t 1H J 49 | 65 64 dt 1H J 9 49 | 61 60 m 1H | 51 50 d 2H J 7 | 47 46 dd 2H J 8 49 | 42 42 s 2H | 22 21 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1cc(CCl)nc2cc(-c3ccco3)nn12
ir: 20 12 8 6 1 3 9 8 4 8 5 10 5 7 6 8 7 8 7 3 5 5 7 3 5 5 5 14 17 17 20 14 17 20 21 9 7 10 5 9 7 9 5 5 9 10 7 4 8 5 5 3 5 9 10 2 5 7 2 5 6 11 12 34 19 43 15 12 7 7 5 26 19 25 22 21 8 7 3 5 13 17 19 22 13 13 7 10 7 11 7 8 17 7 17 16 14 4 4 3 7 12 9 9 15 7 15 5 12 7 2 4 7 7 0 3 4 2 1 3 6 5 2 13 14 9 4 8 14 20 11 5 4 2 2 4 5 5 4 7 8 6 15 100 14 6 2 5 6 13 20 5 3 2 4 7 18 9 23 3 5 3 3 3 3 2 2 3 2 1 2 3 2 1 3 3 2 1 3 6 3 1 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 3 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 2 2 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 3 2 3 5 4 2 4 7 6 4 19 25 35 18 25 19 5 14 8 10 11 95 31 14 5 3 3 3 3 2 4 9 5 8 5 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 1 2 4 2 1 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3; 1HNMR: 76 75 t 1H J 15 | 71 70 s 1H | 70 70 dd 1H J 12 58 | 69 69 dd 1H J 17 58 | 61 61 t 1H J 9 | 46 46 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSCCOc1cc(N)c(Cl)cc1C(=O)O
ir: 5 3 4 10 7 5 9 3 2 2 2 3 1 5 3 2 1 2 1 6 9 23 15 4 2 2 3 1 2 2 1 4 1 1 1 2 2 3 4 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 3 2 5 2 3 3 5 3 1 2 3 2 7 8 2 2 1 1 2 1 2 1 5 1 1 1 1 1 1 1 1 1 2 2 7 1 1 1 1 1 1 1 1 2 3 3 2 1 2 2 2 4 4 2 1 1 1 1 2 1 1 2 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 4 6 6 17 25 23 5 2 1 2 5 53 2 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 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 4 3 2 27 2 2 2 1 1 1 1 1 12 10 1 1 1 1 1 1 1 6 15 3 1 1 1 1 1 1 1 2 6 28 100 15 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 78 s 1H | 65 65 s 1H | 51 51 s 2H | 42 42 t 2H J 51 | 29 29 t 2H J 51 | 21 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1c[nH]c2cc(Br)ccc12
ir: 1 11 0 1 2 2 1 1 1 0 0 0 0 0 0 2 2 2 1 1 0 1 1 1 1 43 40 6 2 1 1 0 1 0 2 1 1 0 0 1 0 0 0 0 1 0 0 1 0 1 1 0 5 7 21 4 3 5 2 5 3 2 2 2 4 23 40 5 2 3 5 2 3 2 1 2 1 2 3 1 1 1 5 2 1 2 1 0 3 0 1 1 1 1 2 1 0 1 0 1 1 1 1 1 2 9 13 2 1 30 0 1 1 0 0 1 1 6 10 1 1 2 2 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 5 72 5 1 0 3 1 1 1 3 6 0 1 16 4 1 2 1 1 0 1 2 11 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 9 13 69 40 12 14 46 2 0 2 1 1 1 1 1 1 0 0 1 0 1 1 1 1 1 0 3 16 100 19 15 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 d 1H J 68 | 78 77 d 1H J 85 | 75 75 d 1H J 22 | 74 73 dd 1H J 22 86 | 73 72 dq 1H J 6 68 | 49 49 d 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.
CSc1ccc2cnnc(-c3ccc(NC(C)=O)cc3)c2c1
ir: 2 6 2 1 1 1 1 1 0 6 1 2 5 1 2 1 5 15 9 5 18 2 2 1 2 1 1 2 6 4 3 6 22 17 7 8 4 2 1 1 1 1 1 1 1 1 8 3 2 12 2 26 12 2 4 2 9 14 3 1 4 2 1 1 4 3 2 1 2 8 32 7 2 1 3 1 1 2 3 7 1 1 0 1 1 1 1 4 1 1 1 1 2 6 1 2 1 1 0 1 1 1 1 7 8 5 1 1 2 3 1 2 2 2 2 7 66 8 11 7 5 7 3 4 2 2 1 1 1 3 15 1 1 1 1 0 1 1 1 2 9 2 25 14 7 15 8 13 19 10 4 10 15 9 7 13 3 1 1 1 1 0 1 19 1 0 1 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 4 4 3 18 9 23 44 13 8 4 2 3 2 2 1 1 1 1 0 1 1 0 0 1 1 1 1 7 8 38 100 2 1 2 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 1 1 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 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 93 93 d 1H J 22 | 91 91 s 1H | 81 81 d 1H J 19 | 80 79 dd 1H J 19 78 | 78 78 m 2H | 77 77 m 2H | 74 73 dd 1H J 22 78 | 25 25 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc([C@@H](CC(=O)O)c2cccc(F)c2)cc1
ir: 3 2 1 2 3 2 1 3 8 8 3 5 5 4 9 4 2 3 1 4 12 29 19 3 4 4 2 2 3 3 3 4 5 2 2 3 3 6 3 4 2 1 1 5 2 2 6 18 5 0 2 2 3 1 5 8 4 4 3 3 1 1 2 4 2 6 5 9 2 3 2 2 2 1 1 2 2 3 2 9 3 1 4 20 21 16 4 5 5 7 5 3 7 12 6 5 3 1 3 4 4 4 20 23 10 12 5 2 1 2 3 3 2 2 3 2 1 2 7 7 6 5 7 2 2 3 4 2 2 2 2 2 4 5 4 2 2 2 3 4 12 7 5 38 4 4 4 5 6 3 3 1 2 3 2 3 1 2 1 0 3 3 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 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 2 3 2 2 1 2 3 3 4 5 11 14 13 48 29 5 2 3 2 2 3 0 100 15 2 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 78 77 m 2H | 74 74 m 2H | 74 73 td 1H J 49 76 | 72 71 ddt 1H J 9 19 74 | 71 70 m 2H | 46 45 tt 1H J 8 88 | 33 32 s 2H | 31 30 dd 1H J 82 172 | 29 28 dd 1H J 82 172
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@H]21
ir: 2 7 13 5 0 8 10 6 1 10 34 18 4 5 9 4 2 32 33 15 9 12 12 9 11 11 11 7 10 19 17 41 39 19 7 9 41 70 25 6 12 14 35 21 8 8 8 5 5 10 11 3 10 10 3 3 17 15 3 1 8 18 15 13 19 19 4 5 18 11 9 3 26 35 7 2 5 10 5 2 15 16 8 16 7 5 2 4 23 20 4 3 6 7 2 4 5 14 26 8 19 14 9 5 7 6 1 5 8 4 1 7 14 18 9 5 8 9 9 16 11 10 10 9 6 7 23 33 45 12 1 5 5 2 1 6 5 1 2 5 7 1 3 30 38 35 100 38 22 6 3 5 4 3 3 4 3 1 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 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 0 1 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 0 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 3 3 1 3 7 6 6 4 5 4 2 7 8 7 12 15 15 14 31 21 11 6 2 3 5 3 0 3 4 2 0 3 5 2 1 3 4 2 2 4 6 3 10 24 32 53 71 62 13 6 4 6 5 1 2 3 3 1 1 3 2 1 1 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 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 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 71 70 t 1H J 39 | 49 49 dh 1H J 14 29 | 47 46 m 2H | 45 45 ddd 1H J 9 30 62 | 34 34 d 3H J 14 | 31 30 qdd 3H J 26 40 63 | 14 14 s 2H | 14 13 s 2H | 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.
O=C(O)Cn1c(=O)[nH]c2ccccc21
ir: 2 2 0 3 8 16 78 71 19 8 8 7 5 10 2 9 10 5 19 20 59 100 41 58 9 11 7 4 3 5 9 0 2 3 10 26 12 10 8 1 2 5 57 55 9 9 13 8 10 1 4 3 3 1 2 3 2 3 1 3 1 0 1 2 1 1 1 2 1 1 2 4 2 1 6 6 7 11 31 16 6 4 4 4 9 11 9 5 3 3 3 1 3 2 2 8 4 2 3 3 2 1 2 2 1 6 6 2 1 1 1 2 0 1 3 1 9 5 8 9 21 25 17 2 3 3 1 4 12 11 2 2 3 11 23 2 1 2 2 2 4 4 14 18 12 11 3 3 1 2 2 0 1 2 3 0 1 4 61 18 30 27 5 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 2 2 2 2 6 5 3 5 19 23 6 2 2 2 2 3 6 41 64 16 3 2 1 3 2 1 2 3 4 2 1 8 31 34 15 4 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 m 3H | 72 71 m 3H | 47 47 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)COC1=C(C(=O)O)Oc2ccccc2C1
ir: 8 8 9 9 10 9 9 10 9 12 12 13 11 10 9 10 9 9 9 13 16 25 28 47 14 10 20 10 9 9 8 9 9 8 8 12 8 7 8 8 8 7 20 7 7 9 8 7 7 8 8 7 7 8 9 7 8 8 8 8 9 8 8 7 8 8 8 8 8 9 10 7 8 9 8 12 10 12 26 13 9 8 9 9 9 9 8 9 8 11 14 14 10 24 18 20 12 11 9 11 9 8 7 10 14 9 8 8 8 7 7 7 8 8 8 8 8 8 8 13 8 8 7 8 8 7 7 8 8 8 10 8 10 9 8 7 7 8 11 8 8 13 8 7 8 8 8 7 10 30 8 9 8 8 9 8 7 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 8 7 7 7 8 7 7 8 8 8 8 8 8 7 7 7 8 7 7 8 8 7 7 7 8 7 7 7 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 8 8 8 7 7 9 8 8 9 10 10 21 18 10 8 6 13 27 8 0 100 42 11 12 7 5 8 9 7 6 8 8 7 7 8 8 7 7 8 8 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 73 72 m 2H | 71 71 td 1H J 13 77 | 69 68 dd 1H J 12 80 | 42 42 dd 1H J 51 112 | 40 40 d 2H J 8 | 40 39 dd 1H J 51 112 | 39 38 m 1H | 37 36 d 1H J 59 | 13 12 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2o1
ir: 1 2 4 9 14 54 44 13 10 7 8 10 7 8 2 4 4 5 1 3 3 2 3 7 10 3 8 20 3 10 15 40 18 15 9 10 14 8 5 9 64 44 11 11 5 11 7 3 4 1 1 2 9 22 55 18 10 2 4 7 4 12 9 11 20 56 26 50 30 36 14 4 5 12 9 23 15 16 4 6 15 57 36 8 2 3 2 6 3 1 1 1 2 2 2 2 1 1 10 88 67 52 10 5 17 28 10 6 4 3 11 5 2 4 5 4 14 17 18 13 12 13 14 7 12 6 8 7 3 6 13 19 4 10 12 36 6 7 4 1 1 4 18 46 100 18 43 4 4 2 2 2 18 40 17 12 2 2 1 1 1 1 24 0 1 1 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 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 2 4 2 3 2 4 1 4 6 6 0 18 26 26 88 31 98 93 94 27 4 7 6 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 m 2H | 77 77 dd 1H J 22 81 | 75 74 m 4H | 73 73 d 1H J 162 | 73 72 d 1H J 22 | 69 68 dd 1H J 22 80 | 64 64 d 1H J 163 | 53 52 s 2H | 42 41 q 2H J 62 | 24 24 s 3H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(-c2ccc(CN3CCN[C@@H](Cc4ccccc4)C3)cc2)c1
ir: 2 2 3 3 3 3 5 5 5 3 3 5 3 2 3 1 1 2 3 2 1 1 2 1 1 15 1 2 2 2 3 3 2 1 1 2 6 1 2 24 0 5 4 1 2 4 3 2 2 3 2 3 14 10 10 39 63 15 4 5 2 0 2 3 1 1 12 2 11 9 2 2 4 4 4 13 3 2 5 2 2 4 9 6 6 3 2 1 5 6 7 8 3 2 2 3 5 4 7 3 8 2 2 1 2 2 3 5 41 18 12 9 2 2 4 3 3 4 6 21 3 4 4 5 11 5 4 3 4 4 4 2 3 4 5 15 2 1 1 2 2 7 6 8 5 2 5 15 6 15 3 4 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 2 3 4 2 2 2 2 2 2 5 7 11 22 43 20 10 4 5 2 2 3 2 2 2 1 1 1 2 1 1 3 6 100 23 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 2H | 75 75 m 1H | 73 73 m 4H | 73 72 m 1H | 72 72 ddt 2H J 9 14 63 | 72 71 m 1H | 71 71 dq 1H J 10 84 | 36 35 m 2H | 32 31 qdd 1H J 18 46 73 | 29 27 m 7H | 26 25 m 2H | 24 24 d 3H J 10 | 24 23 s 3H | 22 22 dt 1H J 29 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ccc(OCCCN3CCCCC3)cc2)C[C@H](C)N1C(=O)c1ccncc1
ir: 6 5 2 4 3 6 3 4 4 2 4 4 4 9 12 4 1 3 3 3 5 5 3 4 3 4 3 5 5 5 8 22 22 5 9 4 6 9 13 14 7 3 4 4 2 8 6 3 3 3 2 5 5 0 43 77 6 1 7 2 4 3 3 11 8 8 11 26 8 48 14 7 17 61 10 10 10 7 5 7 24 10 13 5 4 7 13 13 6 15 4 5 5 6 8 13 4 8 8 5 7 7 3 4 3 5 8 4 8 7 3 58 2 3 11 20 14 10 5 13 12 23 8 6 6 6 5 8 8 6 12 9 10 10 8 7 7 12 10 5 3 3 2 6 66 16 10 12 10 17 24 15 19 7 4 3 2 1 1 2 5 7 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 2 2 2 5 4 3 3 4 3 4 4 6 7 19 21 7 11 100 66 22 7 5 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 m 2H | 78 77 m 2H | 69 69 m 2H | 68 68 m 2H | 44 43 qdd 2H J 27 55 80 | 40 40 t 2H J 65 | 38 38 dd 2H J 27 110 | 36 35 dd 2H J 55 110 | 26 25 t 2H J 65 | 25 25 m 4H | 19 18 p 2H J 66 | 16 16 m 4H | 15 14 m 2H | 14 13 d 6H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12Cn3cnc(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2C(O)c1ncccn1
ir: 8 8 5 3 1 6 4 2 1 2 3 2 1 6 3 1 1 3 3 1 1 2 3 1 4 4 17 15 7 6 2 2 2 19 3 0 2 4 2 1 1 2 2 2 2 3 3 0 1 3 3 1 2 9 12 30 37 2 2 4 2 2 2 1 2 3 4 1 3 3 2 3 2 5 11 3 4 3 1 1 3 2 2 2 3 6 2 7 39 7 2 7 8 5 2 2 2 3 4 3 3 2 1 3 3 2 1 2 4 2 3 2 5 4 3 5 3 1 2 2 3 4 10 7 6 2 2 2 4 3 2 4 2 2 2 2 2 4 12 3 3 2 8 13 7 1 1 2 3 14 3 4 9 5 28 3 2 1 1 2 2 1 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 1 3 3 2 1 5 4 4 7 10 5 3 0 2 4 4 100 9 2 2 3 2 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 86 d 2H J 44 | 78 78 t 1H J 9 | 77 76 m 2H | 72 71 m 3H | 62 61 t 1H J 9 | 49 49 dd 1H J 51 84 | 38 38 m 2H | 36 35 dd 1H J 9 130 | 25 23 m 3H | 19 18 m 2H | 17 15 m 2H | 12 11 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c(-c2cccc(Br)c2)nn2c(Cl)cccc12
ir: 4 3 0 3 3 2 1 5 6 2 2 3 8 7 0 3 3 1 1 4 12 9 1 4 4 2 4 36 14 13 67 15 10 8 3 2 4 2 4 29 7 6 4 3 3 8 14 57 78 3 8 9 12 74 64 2 6 0 6 7 3 1 2 3 3 5 15 22 9 6 5 53 31 7 10 6 9 4 6 3 2 3 9 4 1 2 5 9 24 7 3 2 3 3 3 2 2 2 3 2 1 2 5 2 2 4 8 7 1 2 3 2 1 3 3 5 3 11 29 21 5 3 9 15 4 5 6 9 5 2 2 4 7 22 87 53 18 10 11 22 33 18 10 8 27 8 5 3 6 32 18 5 5 7 9 4 7 2 4 6 19 13 29 28 2 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 4 4 2 1 3 2 2 1 2 4 2 4 13 12 14 25 33 100 37 55 40 29 10 9 4 7 3 1 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 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 83 82 dd 1H J 13 93 | 78 78 t 1H J 22 | 77 77 ddd 1H J 12 21 84 | 76 75 m 2H | 74 73 dd 1H J 79 87 | 73 72 dd 1H J 13 73 | 27 27 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(S(=O)(=O)NC(=O)Nc2nc(C)c(C)s2)c1
ir: 4 5 3 5 9 2 3 2 6 6 3 2 2 2 17 5 6 6 4 3 1 2 4 3 4 8 3 2 2 3 14 13 4 4 5 5 9 24 35 14 5 5 5 3 4 4 15 6 3 4 2 3 3 3 1 1 2 3 9 8 1 3 2 2 5 11 6 4 1 2 1 1 1 2 1 1 4 3 1 6 4 2 2 9 54 54 11 7 2 1 1 1 2 2 2 10 4 12 3 4 10 3 2 4 2 9 1 1 2 1 0 1 1 1 1 2 2 2 2 1 3 3 5 4 3 6 6 4 5 2 5 4 8 14 5 4 16 3 3 8 5 12 3 3 5 0 2 9 100 71 35 4 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 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 2 3 5 1 8 13 5 6 4 2 2 2 1 1 2 2 1 2 1 1 2 2 1 1 2 3 16 21 21 21 9 17 19 19 11 5 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 97 97 s 1H | 82 81 s 1H | 78 78 ddd 1H J 13 21 83 | 77 77 m 1H | 76 75 m 1H | 75 75 dd 1H J 76 83 | 24 24 d 3H J 9 | 23 23 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(/C=N/O)cc(OCc2ccccc2)c1
ir: 11 42 27 29 24 7 11 17 34 33 10 5 5 4 3 2 2 4 5 14 8 3 2 2 2 2 3 4 6 11 20 4 2 4 6 3 2 2 5 11 16 4 4 2 2 1 2 2 3 2 2 2 1 2 2 1 2 2 1 1 2 3 3 4 5 21 11 14 12 7 3 2 3 9 4 81 100 2 6 5 0 0 2 4 2 1 2 2 2 12 3 2 0 2 10 11 2 2 64 24 10 3 2 2 1 1 2 2 2 2 5 4 3 1 2 1 1 1 2 1 1 2 3 2 1 2 2 4 3 4 4 1 1 3 13 7 5 6 2 1 1 2 11 21 4 3 1 2 6 8 11 5 9 22 2 1 1 1 1 5 6 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 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 3 1 1 1 2 2 1 1 2 2 1 3 3 10 6 14 31 15 8 4 5 6 2 3 33 82 4 3 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 91 91 s 1H | 82 82 s 1H | 74 73 m 4H | 73 73 ddt 1H J 15 60 78 | 71 71 m 1H | 69 69 t 1H J 22 | 67 67 t 1H J 25 | 50 49 t 2H J 8 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CC2OC2CO1
ir: 0 4 6 4 7 11 31 35 12 5 5 3 1 3 2 53 60 41 13 5 1 4 6 2 0 4 4 1 2 7 6 2 4 6 22 35 33 36 6 5 15 5 7 8 7 7 3 0 2 5 6 3 10 15 12 18 5 5 20 24 25 27 50 11 13 29 29 8 7 12 6 6 12 12 41 40 45 20 44 57 10 72 41 48 3 5 2 2 4 3 2 2 6 14 9 19 6 10 12 15 10 4 3 12 12 14 27 46 32 10 5 5 7 5 0 8 15 30 19 29 13 18 10 8 11 9 9 5 9 7 24 32 16 9 5 4 6 3 2 5 6 2 3 12 8 41 38 15 15 26 22 6 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 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 1 2 4 2 0 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 5 4 2 3 4 5 2 5 10 7 9 10 20 20 19 20 14 14 10 13 23 61 100 90 88 22 38 7 8 6 6 6 8 3 2 3 4 3 2 2 4 2 2 4 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 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 1 1 3 3 2 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; 1HNMR: 39 38 m 2H | 37 36 dd 1H J 22 110 | 32 32 td 1H J 36 44 | 32 31 dt 1H J 22 38 | 21 21 ddd 1H J 35 45 137 | 19 18 ddd 1H J 45 62 137 | 13 12 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1
ir: 5 3 2 5 5 34 4 6 5 3 1 2 2 1 3 4 3 3 1 2 3 4 3 2 2 1 2 1 2 4 4 2 2 3 2 1 1 2 6 10 27 24 5 3 4 3 1 1 2 1 1 1 1 1 1 0 2 1 1 1 1 1 4 5 5 2 2 6 5 8 2 1 1 2 1 2 1 2 6 3 2 1 2 2 1 3 2 10 50 19 6 2 5 2 7 3 1 1 3 2 1 1 1 1 2 8 7 5 2 2 2 2 3 4 17 4 1 1 1 2 2 3 5 4 2 2 2 2 2 1 1 2 4 8 6 8 3 2 1 1 1 1 1 53 3 2 1 2 2 2 4 4 4 2 1 0 0 1 1 2 1 1 1 1 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 1 1 2 2 4 4 4 9 7 100 14 4 3 2 1 1 1 16 5 2 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 5H | 72 72 m 2H | 70 70 tt 1H J 14 74 | 69 69 m 2H | 52 51 s 2H | 49 48 ddt 1H J 17 34 50 | 44 43 m 1H | 40 40 dd 1H J 15 119 | 38 37 m 2H | 36 35 ddd 1H J 18 41 120 | 33 33 d 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(N)cccc1COc1ccccc1I
ir: 5 6 14 8 4 5 3 6 4 2 1 1 6 5 2 4 6 3 3 2 5 2 1 4 3 2 1 1 2 1 1 1 1 2 3 4 3 1 2 1 2 3 19 14 3 2 4 4 5 4 5 4 2 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 5 5 1 1 1 1 3 3 1 1 1 2 1 2 5 3 3 1 1 1 0 0 1 1 0 1 4 5 0 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 3 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 2 5 5 3 1 1 1 1 1 2 18 8 2 1 0 1 6 11 6 5 12 4 6 100 12 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 7 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 4 15 24 22 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 10 4 2 1 1 1 1 1 1 1 1 14 59 66 4 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 dd 1H J 15 73 | 74 73 t 1H J 80 | 73 72 td 1H J 14 74 | 72 71 dq 1H J 10 82 | 69 69 m 2H | 68 67 dd 1H J 12 80 | 51 50 d 2H J 10 | 46 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(CCCCCl)c1ccc(Cl)nc1
ir: 1 1 3 9 2 3 2 2 2 5 1 2 7 4 3 3 0 5 6 3 19 88 88 3 7 3 4 4 2 2 2 1 1 5 22 29 6 0 1 2 2 1 1 2 4 4 4 2 2 0 1 4 12 33 5 2 2 1 1 1 1 1 1 1 0 1 1 2 1 9 5 3 1 2 5 6 2 7 10 15 4 3 3 2 2 2 4 7 3 2 1 2 2 2 8 8 4 4 2 2 3 4 3 3 2 6 1 2 3 2 3 1 2 3 1 3 2 3 1 8 12 4 6 3 2 3 3 7 6 3 2 10 58 3 2 0 0 1 2 3 2 2 3 100 4 1 1 7 18 6 1 1 1 2 1 1 1 1 1 2 9 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 2 1 1 1 1 2 3 2 3 4 3 5 6 16 9 2 1 1 2 0 1 2 2 50 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 1 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 7 19 | 76 75 m 1H | 73 73 d 1H J 82 | 36 35 m 3H | 22 21 dtd 1H J 76 86 137 | 19 18 m 3H | 16 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2nc(-c3ccc(OCc4ccccc4)cc3)c(C3CCCCC3)c(OC)n2n1
ir: 7 5 2 6 7 4 9 11 39 12 5 17 7 6 8 7 8 6 5 5 3 2 2 2 3 4 4 6 16 10 11 38 49 41 6 3 7 12 10 55 58 5 3 3 5 3 3 4 2 5 6 2 3 11 18 40 31 4 5 6 3 3 4 6 5 4 12 10 12 17 5 8 6 20 37 21 8 3 11 4 5 17 7 2 3 2 4 4 10 13 5 6 17 5 4 3 3 7 6 5 2 3 3 4 3 3 3 2 1 3 12 11 3 28 34 11 2 6 12 10 3 4 20 28 7 16 7 5 25 6 83 21 8 3 5 14 12 14 4 2 2 7 24 34 10 7 8 24 28 54 24 12 12 4 9 9 3 0 1 12 100 10 3 24 2 3 2 0 1 3 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 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 3 2 1 2 3 2 3 4 5 4 2 2 4 4 5 4 15 16 18 37 78 78 41 24 5 4 8 4 2 4 3 2 2 2 2 2 2 2 2 2 2 1 2 2 1 2 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 78 77 m 2H | 76 76 s 1H | 74 73 m 4H | 73 73 m 1H | 71 70 m 2H | 51 50 t 2H J 9 | 40 40 s 2H | 38 38 s 2H | 28 28 p 1H J 51 | 19 18 dddd 2H J 52 62 82 126 | 17 16 dtd 2H J 29 62 125 | 16 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC2(CC2)C(OS(=O)(=O)C(F)(F)F)=C1c1ccc(OCc2ccc3ccccc3n2)cc1
ir: 12 4 3 10 20 12 9 6 17 33 36 9 7 4 1 1 1 1 1 1 2 1 5 6 9 5 3 2 1 1 1 2 2 3 2 3 7 2 4 4 4 2 39 9 13 4 10 18 16 12 9 3 8 62 12 23 7 12 5 1 2 0 2 2 1 2 2 5 26 28 14 14 3 1 1 3 3 5 2 2 1 0 1 3 15 100 10 14 11 7 1 1 1 1 3 7 4 28 12 4 3 19 2 6 13 5 2 2 1 1 1 0 0 1 2 20 2 1 1 1 1 1 1 4 1 3 3 4 1 1 1 0 0 2 3 16 5 5 3 2 3 9 9 4 7 8 5 6 28 24 11 10 13 3 6 3 79 5 3 1 1 1 1 2 1 13 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 5 3 6 6 16 26 51 37 9 18 7 5 1 2 1 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 82 d 1H J 79 | 80 80 dd 1H J 11 76 | 80 79 ddd 1H J 7 13 74 | 78 77 td 1H J 12 76 | 77 77 m 1H | 76 75 td 1H J 14 77 | 75 75 m 2H | 71 70 m 2H | 53 52 d 2H J 10 | 24 23 m 2H | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNCc1ccc(-c2ccccc2)cc1
ir: 2 2 2 3 1 2 8 4 7 5 1 3 6 3 5 6 5 3 3 5 7 7 8 5 8 10 8 13 11 13 15 10 6 10 11 16 14 13 34 12 24 20 42 23 25 3 17 16 17 7 6 10 10 8 9 13 26 4 4 5 2 2 2 2 2 2 2 5 7 16 27 3 1 1 2 3 2 2 2 5 1 1 3 2 1 2 3 3 11 18 2 1 2 2 2 2 1 1 4 2 1 1 0 1 1 0 1 1 0 1 1 1 1 2 2 4 7 4 13 25 17 15 16 17 4 5 7 10 3 6 17 18 45 32 32 9 5 4 6 5 7 20 31 45 23 25 9 5 24 4 2 17 13 4 1 2 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 1 1 1 1 1 2 1 1 3 4 8 36 62 22 14 3 7 5 3 3 4 4 6 2 2 6 22 36 5 12 22 22 21 16 23 38 100 33 7 5 2 2 3 0 2 4 1 1 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H | 76 75 m 2H | 75 74 m 2H | 74 73 tt 3H J 12 83 | 41 41 dt 2H J 9 37 | 39 39 m 2H | 39 39 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1Cc2nc3ccccc3c(=O)n2-c2ccccc2C1=O
ir: 2 11 5 4 7 8 7 3 1 2 4 10 6 4 6 5 9 4 3 1 1 2 2 1 1 2 2 2 1 4 3 16 29 42 25 20 3 4 3 1 6 22 19 79 11 4 3 22 9 3 2 5 4 5 5 4 2 2 1 1 4 10 4 1 3 3 3 2 4 9 6 2 3 4 9 9 5 2 2 3 2 3 2 4 3 2 2 2 2 2 1 4 7 3 2 9 6 6 2 1 3 2 1 2 9 8 2 3 2 2 1 4 25 18 2 3 3 3 9 14 4 2 4 13 7 10 3 18 20 8 14 23 6 11 12 7 7 14 26 14 1 3 6 4 3 7 13 11 54 4 1 3 76 7 5 5 13 15 22 2 16 43 33 5 2 0 2 3 2 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 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 3 5 4 3 1 3 4 4 4 6 8 17 54 100 10 6 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 83 83 dd 1H J 14 79 | 80 79 m 1H | 78 77 ddd 1H J 13 69 85 | 77 76 m 4H | 75 75 ddd 1H J 13 70 82 | 45 45 s 2H | 31 31 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]1C[C@@H]1c1ccc(O[C@@H]2CCc3c2ccc(C#N)c3Br)cc1
ir: 3 4 4 12 2 2 2 1 3 2 1 2 1 2 1 2 2 1 0 0 1 1 1 1 0 0 1 3 3 2 1 2 1 1 1 2 2 1 2 4 4 4 7 2 1 1 3 1 1 1 1 3 6 8 25 38 16 5 2 3 2 2 2 4 3 1 2 0 1 25 1 1 1 4 4 1 1 0 0 0 0 0 0 3 1 4 1 2 1 8 5 9 4 3 2 4 8 1 1 1 1 2 0 2 22 9 4 4 5 2 3 2 2 2 2 1 1 2 2 3 1 1 0 3 2 3 2 1 1 2 2 1 0 1 1 1 2 2 39 3 3 2 3 8 8 7 18 13 10 14 11 19 5 1 1 1 1 1 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 2 2 1 2 1 8 4 15 18 33 22 100 19 14 8 2 2 2 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 84 | 72 72 d 1H J 85 | 71 71 m 2H | 69 68 m 2H | 53 52 m 1H | 41 40 m 2H | 32 31 dddd 1H J 17 57 74 161 | 31 30 ddd 1H J 57 75 163 | 28 27 m 1H | 25 24 dddd 1H J 31 57 75 132 | 24 22 m 2H | 17 16 dt 1H J 72 80 | 14 13 td 1H J 63 81 | 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.
COc1ccc(NC(=O)Oc2ccccc2)cn1
ir: 0 6 4 5 4 3 2 2 2 3 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 4 10 11 17 34 11 10 12 10 3 12 5 32 11 16 31 5 4 4 2 2 1 5 4 4 7 62 86 0 5 4 3 2 1 1 2 29 3 3 1 2 8 4 12 1 1 2 1 1 2 3 7 4 2 2 1 1 2 1 1 2 8 1 1 1 2 1 1 4 2 1 1 4 6 4 2 5 75 4 1 1 2 1 1 14 5 1 2 1 2 1 1 2 2 1 3 3 6 14 1 4 3 1 2 1 3 2 4 31 4 36 1 14 6 3 7 48 34 5 3 4 19 100 13 82 42 22 14 7 2 0 1 4 2 7 5 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 2 2 6 12 18 30 35 9 5 7 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 2 8 4 31 34 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; 1HNMR: 87 87 s 1H | 85 85 d 1H J 20 | 78 78 dd 1H J 20 84 | 76 75 m 1H | 75 74 m 2H | 73 72 m 2H | 68 68 d 1H J 84 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2cc(N[C@H](CC3CC3)C(N)=O)cnc2C#N)sn1
ir: 4 13 10 3 2 2 2 2 2 2 3 3 4 3 2 5 18 27 15 4 3 7 2 14 10 36 12 11 11 6 16 18 10 10 35 7 3 6 2 2 2 5 2 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 0 1 1 1 2 2 4 2 4 11 5 5 3 5 3 13 6 5 3 4 1 1 1 1 0 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 3 0 1 2 2 2 3 6 4 7 3 53 2 9 1 3 1 2 2 3 3 3 2 4 2 1 1 1 2 2 1 1 0 1 1 1 3 17 25 3 2 2 8 5 60 1 6 2 1 2 4 1 1 2 26 4 13 37 24 56 4 2 21 2 1 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 3 4 3 2 1 1 1 16 4 2 2 1 1 1 3 1 1 1 0 2 2 1 1 3 9 2 6 7 8 3 100 13 55 4 6 7 24 72 8 1 2 2 2 0 0 1 1 0 0 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 1 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 m 2H | 70 69 d 1H J 16 | 68 68 s 2H | 68 67 d 1H J 92 | 63 63 s 1H | 41 40 dt 1H J 57 90 | 24 24 s 3H | 20 19 ddd 1H J 58 69 139 | 17 16 ddd 1H J 57 68 139 | 13 12 tt 1H J 58 68 | 6 5 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc2c(CO)cccn2n1
ir: 1 2 4 2 1 1 2 4 3 7 5 2 0 2 2 3 5 3 2 3 1 2 5 2 2 1 1 0 2 1 1 0 1 1 1 0 0 2 3 1 0 1 1 1 1 9 15 27 13 8 2 5 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 4 3 2 10 6 6 8 25 7 2 1 2 3 4 5 6 15 7 30 21 5 3 3 3 3 3 3 2 1 1 1 1 2 2 0 1 2 1 4 4 1 1 1 1 1 0 1 1 2 1 0 1 1 1 2 1 3 4 4 7 2 1 2 3 6 4 4 1 11 9 3 3 3 1 4 22 1 1 1 0 0 0 1 0 1 6 6 1 1 0 0 0 0 1 7 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 4 6 2 2 1 16 21 10 26 1 1 36 100 19 5 5 8 2 1 1 1 1 0 0 0 1 0 0 0 0 1 0 0 1 1 0 1 1 1 1 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; 1HNMR: 84 84 dd 1H J 13 69 | 75 74 dq 1H J 15 81 | 72 71 dd 1H J 71 78 | 66 66 q 1H J 8 | 48 48 dd 2H J 14 50 | 34 33 t 1H J 51 | 28 27 qd 2H J 9 67 | 13 12 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2noc(C)c2COc2ccc(C(=O)NC3CCOCC3)cn2)c1
ir: 1 3 3 12 9 1 2 2 6 6 7 4 5 4 4 2 3 1 1 3 10 11 5 3 6 6 2 1 4 3 2 2 6 15 6 3 4 9 12 37 48 45 8 4 3 2 12 37 8 3 4 1 3 37 5 4 3 1 2 2 1 3 2 4 3 1 4 7 8 25 7 4 5 8 7 1 7 7 4 1 3 4 1 0 1 1 1 1 3 9 4 1 2 2 1 2 2 2 3 0 1 1 0 2 1 2 3 3 4 9 19 35 5 4 2 2 2 2 4 4 5 9 4 12 15 21 23 7 8 4 8 5 7 30 1 4 8 75 6 3 21 21 42 87 34 10 80 22 44 5 4 66 16 15 62 16 4 2 1 2 2 66 11 2 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 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 1 0 0 0 1 0 0 0 2 1 1 1 3 3 2 3 3 2 0 2 6 5 7 18 17 15 67 39 5 3 5 2 1 2 3 1 1 1 1 1 1 2 3 1 2 2 2 2 5 16 100 21 4 5 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 19 | 80 80 dd 1H J 19 81 | 75 74 m 2H | 73 72 q 1H J 15 | 72 72 m 1H | 72 71 d 1H J 77 | 70 70 d 1H J 82 | 55 55 s 2H | 39 38 dp 1H J 50 77 | 37 37 ddd 2H J 30 57 117 | 35 35 ddd 2H J 31 59 117 | 24 24 m 6H | 20 19 dddd 2H J 31 50 59 140 | 18 17 dddd 2H J 31 50 59 140
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Br)c(=O)n(-c2ccccc2)c1C
ir: 11 3 6 3 3 7 4 4 3 2 3 4 5 14 5 9 3 3 10 6 3 3 3 2 2 3 3 4 3 4 10 9 8 13 8 6 5 16 31 6 8 100 19 3 6 25 9 8 5 6 3 2 2 4 3 2 4 4 4 5 2 4 4 11 4 5 6 3 7 12 9 34 7 11 5 2 8 6 6 4 9 15 6 4 4 3 2 5 3 3 3 18 5 4 3 2 3 2 1 2 3 3 2 2 3 3 2 3 21 5 3 3 4 3 3 4 5 8 7 10 14 7 9 6 3 7 5 28 4 3 3 6 6 7 24 21 30 10 20 17 9 8 5 22 10 4 6 4 4 4 6 14 21 5 3 4 6 33 5 4 20 3 3 4 3 2 2 3 3 3 4 75 2 0 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 5 8 6 4 3 4 4 3 4 3 6 14 6 17 18 56 41 34 89 72 20 11 3 5 4 3 3 3 5 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 79 79 q 1H J 11 | 75 75 m 1H | 74 74 m 4H | 38 38 s 2H | 24 24 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC(C)(C)CNc1c(C)c(C)nc(Oc2ccccc2)c1N
ir: 3 4 8 12 4 5 4 6 20 21 31 23 7 18 4 12 24 17 13 9 4 17 17 43 20 12 6 5 7 8 17 47 79 24 13 8 6 3 4 7 15 33 6 6 3 6 4 3 4 2 2 5 5 2 2 2 2 0 1 2 2 2 3 3 1 2 4 6 7 8 10 6 4 3 2 3 3 3 2 2 1 0 2 1 1 2 2 4 14 8 4 3 4 5 3 1 2 1 4 2 2 2 1 1 2 2 2 1 1 2 2 37 3 2 4 3 2 5 6 14 4 17 18 12 3 3 4 2 2 2 7 5 2 7 6 24 7 6 4 5 5 14 15 54 29 15 36 11 10 8 17 34 100 6 5 28 6 2 3 9 7 2 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 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 3 3 2 2 1 2 2 1 2 2 4 2 5 8 16 8 9 20 6 7 3 3 1 1 1 1 1 0 1 2 1 0 2 2 1 4 46 4 8 11 21 19 61 32 7 4 3 5 91 6 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 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 m 2H | 71 71 m 2H | 70 70 tt 1H J 14 74 | 66 66 s 1H | 66 65 t 1H J 53 | 44 44 s 2H | 38 37 d 2H J 53 | 25 24 s 3H | 22 21 s 3H | 20 19 s 3H | 14 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc(Nc2ccccc2N)nc1C
ir: 22 18 24 19 15 38 27 8 2 3 4 5 8 5 4 7 4 10 9 6 4 4 3 3 1 3 3 1 1 3 2 1 5 4 2 2 1 2 2 3 5 13 45 100 12 6 6 5 8 4 11 5 7 4 3 5 8 9 5 6 7 14 17 10 3 4 9 8 3 3 7 9 7 7 19 17 20 7 2 1 3 5 1 1 2 3 0 32 15 2 5 2 3 4 4 2 5 9 4 3 2 3 3 3 6 3 5 36 14 5 20 13 9 10 22 20 9 22 15 19 7 10 16 4 5 6 4 2 7 3 3 3 4 7 13 9 4 19 3 3 3 2 6 51 26 13 11 77 49 8 2 7 24 32 6 4 10 2 32 5 6 11 7 1 1 1 0 0 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 2 3 9 9 4 2 6 8 7 9 4 9 10 8 7 5 42 30 22 16 28 68 13 9 0 2 4 3 1 2 2 1 0 1 2 1 1 3 3 7 6 5 6 23 27 65 23 7 3 4 12 37 2 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 73 73 dd 1H J 14 77 | 71 70 m 1H | 69 69 td 1H J 13 75 | 69 68 dd 1H J 14 79 | 43 42 q 2H J 64 | 40 40 s 2H | 26 25 s 3H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(CO)COC1
ir: 11 15 15 6 9 8 6 3 3 4 5 4 4 4 2 2 1 2 5 2 3 7 6 2 1 4 3 2 2 3 3 1 1 3 2 0 1 3 3 2 3 4 6 2 6 6 4 2 2 4 2 0 2 4 5 6 8 13 4 1 3 3 1 0 2 3 2 1 3 4 4 2 4 4 1 1 5 7 4 2 5 5 4 5 18 27 15 14 44 72 55 57 9 17 7 6 1 1 3 4 5 4 4 2 3 2 2 1 2 4 3 4 2 1 1 2 3 3 3 2 2 2 2 3 3 3 2 2 2 2 1 2 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 0 1 2 2 0 1 2 2 0 2 2 1 1 1 2 1 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 2 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 3 4 1 2 4 5 7 8 6 4 2 2 3 2 0 10 57 100 48 12 27 4 2 2 1 1 1 2 2 2 1 2 1 1 1 2 1 2 1 2 2 2 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 40 40 d 2H J 101 | 38 37 d 2H J 101 | 37 36 d 2H J 46 | 27 27 t 1H J 47 | 16 15 q 2H J 62 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccccc1-c1cnc2c(c1Cc1ccc(Cl)cc1)c(=O)n(CCCO)c(=O)n2C
ir: 1 1 2 2 1 2 1 2 2 4 3 4 8 5 6 6 4 4 4 5 4 4 3 3 3 2 3 2 3 2 2 2 2 4 3 2 4 2 2 2 3 3 9 12 3 2 6 4 4 2 4 5 13 10 13 4 4 5 4 5 4 3 2 1 1 1 2 2 2 3 2 1 2 2 2 1 2 1 1 2 1 1 1 2 2 2 2 2 2 2 3 5 8 11 5 3 9 27 6 8 9 5 4 2 3 3 1 2 2 1 1 4 3 1 2 2 3 3 3 2 2 2 3 1 3 4 5 3 2 3 3 1 2 4 4 2 3 5 3 2 1 1 2 3 2 2 7 5 5 2 2 2 3 3 4 31 29 2 8 17 4 100 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 2 2 3 1 8 4 8 8 9 4 16 44 24 28 4 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; 1HNMR: 84 84 s 1H | 78 77 m 1H | 74 74 ddd 1H J 36 58 81 | 74 73 m 4H | 72 71 dp 2H J 10 77 | 45 45 d 2H J 9 | 39 38 m 3H | 38 37 s 2H | 37 36 m 2H | 37 36 d 1H J 61 | 19 18 p 2H J 65 | 13 13 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cc1ccccc1)Nc1cccc(F)c1
ir: 6 5 7 8 8 2 3 5 11 6 5 5 3 7 7 2 1 1 2 2 5 3 3 2 2 2 3 3 2 6 5 6 5 6 5 12 5 6 6 11 5 1 8 5 9 5 12 14 5 7 3 15 6 8 4 5 1 2 1 0 1 2 1 0 6 7 15 10 7 29 19 7 3 3 2 1 3 3 2 1 2 2 1 2 2 37 13 5 25 2 14 11 12 2 0 1 2 14 3 12 27 5 5 34 22 4 5 4 7 3 2 1 0 1 1 1 2 5 6 4 8 5 7 15 11 4 3 2 2 5 5 4 2 3 5 12 1 3 4 2 3 5 8 5 1 2 4 1 1 1 1 5 6 2 2 23 2 1 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 10 2 1 1 1 1 2 4 8 11 11 59 19 6 3 1 2 3 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 3 4 11 100 25 9 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 s 1H | 74 72 m 7H | 71 71 dt 1H J 21 120 | 69 68 dddd 1H J 15 22 73 99 | 44 44 d 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(NC(=O)C2C(C)(C)C2(C)C)sc1N1CCOCC1
ir: 4 5 4 6 2 5 4 3 3 2 13 4 4 5 1 4 3 1 2 2 2 8 9 4 0 1 1 1 1 1 1 3 3 3 4 2 2 1 8 4 2 1 1 1 1 1 1 1 1 1 1 5 31 12 3 3 5 2 6 1 2 2 2 1 6 7 8 4 8 2 4 8 12 3 3 4 9 2 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 4 1 3 2 1 4 8 1 2 4 4 3 1 3 2 2 1 2 1 27 10 8 9 10 6 11 15 6 11 20 17 4 5 7 5 5 5 12 14 24 20 2 9 4 8 9 5 5 8 5 2 5 9 9 9 3 1 1 1 1 0 0 1 15 4 1 1 1 1 0 0 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 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 2 3 5 4 5 1 6 3 4 3 3 2 3 14 8 40 83 16 16 24 5 4 2 0 2 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 5 16 100 13 2 2 4 3 1 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 s 1H | 39 38 m 4H | 33 32 m 5H | 26 25 tp 1H J 15 29 | 24 24 s 2H | 11 10 d 6H J 14 | 10 10 d 6H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(Cl)c12
ir: 0 3 4 1 0 2 4 4 5 25 5 3 1 3 11 1 1 2 5 3 2 2 2 1 2 2 6 2 2 8 6 2 2 6 6 19 6 5 4 3 6 31 18 3 4 3 1 2 4 4 4 10 11 17 55 64 37 9 92 4 3 5 3 0 2 4 2 15 21 4 2 1 2 8 1 1 1 1 1 1 2 2 1 1 2 2 1 3 15 4 12 4 2 2 1 1 4 11 26 27 53 5 5 6 16 2 8 3 5 2 0 2 3 11 2 2 4 3 9 5 7 3 1 2 2 3 4 2 2 2 3 14 2 1 1 2 2 1 3 11 3 2 3 2 8 1 1 3 4 10 11 39 65 34 75 36 13 1 5 9 13 0 3 5 4 1 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 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 2 1 1 1 1 1 1 2 2 0 3 2 2 3 6 4 12 49 9 4 3 1 2 2 1 1 1 3 3 1 3 4 2 1 2 3 1 2 5 4 12 31 100 43 12 5 3 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 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 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: 89 89 s 1H | 78 78 ddq 1H J 9 20 30 | 73 73 ddd 1H J 22 37 73 | 72 72 dd 1H J 72 102 | 40 40 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(=O)c2ccccc2C2=C1SCC1(CCN(Cc3ccccc3)CC1)O2
ir: 5 12 8 8 7 9 10 9 0 6 6 3 7 8 8 5 5 5 8 5 18 67 50 47 11 13 8 6 3 4 11 11 20 10 13 15 14 9 29 10 16 57 44 23 8 11 7 4 4 6 5 4 17 16 7 2 18 11 4 1 6 8 3 4 4 17 16 2 20 2 5 3 4 5 6 9 6 4 14 9 24 50 13 3 9 17 15 6 13 13 1 5 7 6 7 17 45 17 11 8 15 18 8 5 6 5 8 6 5 4 3 7 9 28 9 14 8 4 44 19 16 20 5 9 8 6 6 14 27 10 10 9 8 12 35 85 32 18 33 16 7 4 14 38 22 18 6 12 54 32 42 25 9 4 7 4 4 8 3 5 3 2 4 5 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 1 3 4 2 2 4 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 3 3 5 5 6 4 9 14 7 8 9 9 6 10 38 29 62 100 94 27 6 5 13 8 6 5 4 4 3 2 3 5 3 2 4 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4; 1HNMR: 81 80 dd 1H J 13 81 | 78 77 m 2H | 76 75 td 1H J 14 78 | 73 72 m 5H | 35 35 d 2H J 8 | 33 32 s 2H | 30 29 ddd 2H J 34 61 123 | 28 27 ddd 2H J 34 61 125 | 22 21 ddd 2H J 33 60 132 | 19 19 ddd 2H J 35 62 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
ir: 1 1 1 1 1 1 2 3 2 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 2 4 14 11 3 4 1 1 1 2 3 18 54 9 1 2 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 6 8 7 13 24 21 7 6 5 1 1 1 3 3 4 3 1 1 0 0 1 1 0 1 18 9 2 2 2 2 9 5 2 7 5 1 1 1 1 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 1 2 2 2 1 1 3 1 1 1 3 1 0 1 2 2 18 12 4 1 0 1 4 2 26 12 4 6 4 12 0 1 2 2 4 1 1 0 0 1 5 10 11 1 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 1 0 1 0 1 0 0 0 0 0 1 2 1 1 1 1 1 1 3 9 8 10 54 100 67 33 33 8 4 3 3 2 3 4 2 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 8H | 73 73 m 2H | 67 67 d 2H J 22 | 64 64 t 1H J 22 | 50 49 d 1H J 20 | 50 49 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(F)c(C=O)cc1Br
ir: 1 3 5 3 6 15 7 3 2 4 4 3 2 9 9 7 2 4 6 3 3 4 4 2 2 4 28 9 3 3 3 3 5 6 5 3 3 3 3 2 2 3 3 2 3 5 4 3 4 15 4 3 3 3 3 3 4 3 36 69 37 32 12 3 11 11 7 3 11 14 33 15 9 8 4 2 4 4 2 2 3 4 2 2 3 3 2 2 4 4 7 5 38 46 4 4 5 4 6 16 5 4 2 3 5 5 29 46 26 5 0 3 10 4 2 4 8 4 5 23 13 5 2 4 6 3 2 4 5 6 3 4 5 2 2 12 30 5 4 4 4 2 2 4 4 1 2 4 4 2 3 8 24 23 6 82 100 9 4 5 7 32 21 3 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 7 4 3 5 4 2 3 5 4 4 3 4 5 15 11 18 85 72 9 11 5 1 9 8 3 2 3 5 3 2 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4; 1HNMR: 80 80 d 1H J 36 | 71 70 m 1H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=[N+]([O-])c1ccc2oc(CBr)cc2c1
ir: 4 4 10 13 16 3 1 6 7 5 1 3 4 3 3 4 3 4 3 8 16 9 3 6 5 2 2 4 7 8 10 8 36 17 30 27 7 4 5 6 7 5 3 5 8 10 9 8 4 1 3 4 12 18 21 38 5 3 3 3 3 3 2 3 4 20 19 15 27 9 3 4 2 2 2 3 2 2 3 3 3 4 50 4 3 2 2 3 2 2 5 4 4 13 30 9 4 5 7 5 8 12 94 23 2 7 20 25 6 7 7 4 0 2 5 5 3 4 4 4 5 6 6 39 100 32 61 9 9 4 4 1 0 3 3 1 1 3 3 2 6 15 24 10 5 5 3 1 2 7 21 9 4 14 35 10 5 3 3 14 15 6 4 5 5 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 4 2 1 2 3 1 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 2 3 3 3 1 2 3 3 1 2 3 3 3 7 14 17 5 3 4 3 3 4 13 12 16 39 79 88 58 21 17 9 8 6 5 3 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 82 82 m 2H | 79 78 m 1H | 70 69 dt 1H J 10 21 | 44 43 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1(c2ccc(F)cc2)CCC2(CC1)OCCO2)OCc1ccccc1
ir: 15 7 5 7 7 8 14 7 11 9 7 7 11 7 10 9 8 7 6 10 7 10 6 6 7 12 14 14 6 11 17 11 8 12 7 8 9 8 9 65 97 18 17 53 18 43 38 7 9 9 11 7 13 15 20 23 13 20 11 10 7 8 27 10 9 13 11 15 9 14 7 6 6 6 5 5 7 8 7 7 6 6 6 6 9 8 8 8 12 18 10 7 12 8 7 6 8 11 8 7 6 7 6 6 10 35 11 7 8 6 6 6 6 6 8 7 7 12 12 13 18 8 14 20 22 17 12 12 15 8 9 12 7 7 16 55 12 10 7 6 6 14 29 32 100 9 10 7 30 43 33 21 10 6 9 8 6 4 5 8 6 4 6 7 5 4 5 6 5 4 5 7 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 6 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 5 5 5 6 6 5 5 6 6 5 5 7 7 9 14 7 7 6 6 7 9 9 36 40 32 62 32 23 9 6 10 8 6 8 7 7 5 5 6 7 5 4 6 7 4 3 8 10 0 66 38 9 9 8 4 4 6 6 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 74 73 m 8H | 71 70 ddt 2H J 17 86 99 | 69 69 s 1H | 50 50 s 2H | 39 39 s 3H | 25 24 ddd 2H J 64 88 147 | 21 20 m 4H | 19 18 ddd 2H J 61 88 151
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1cc(OC)ccc1C(=O)Nc1cncnc1N
ir: 6 6 7 5 6 5 2 5 6 5 2 6 9 14 8 9 5 4 4 9 10 4 5 4 4 3 4 4 8 5 7 5 4 7 10 27 22 22 36 26 8 27 24 23 18 19 55 6 9 25 12 7 7 8 5 8 5 2 7 8 10 7 4 4 5 5 9 4 8 17 4 4 3 3 6 12 6 9 3 4 2 3 2 3 3 3 2 3 2 4 2 3 3 5 3 10 47 5 3 2 2 2 2 2 2 3 2 3 4 4 3 6 4 12 21 13 4 3 2 3 2 2 2 3 3 3 2 3 3 3 6 14 7 3 3 4 3 13 4 19 63 30 11 8 16 22 15 53 26 15 12 17 16 24 12 13 17 30 11 19 13 6 6 10 9 5 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 3 2 1 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 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 2 2 2 1 2 2 2 2 2 2 2 2 1 3 2 2 3 3 3 1 2 3 2 3 3 5 5 3 8 12 23 20 6 2 2 2 3 2 3 3 2 3 3 3 3 4 5 32 38 25 7 7 7 13 17 26 9 4 15 80 100 21 0 1 5 4 1 3 3 3 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 91 91 s 1H | 88 88 d 1H J 18 | 84 84 d 1H J 16 | 79 78 d 1H J 84 | 67 67 dd 1H J 24 84 | 66 65 d 1H J 22 | 63 63 s 2H | 41 41 t 2H J 53 | 38 38 s 3H | 20 19 qt 2H J 53 79 | 11 11 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C[C@H]1CCNc1ccccc1
ir: 7 17 26 21 27 19 67 28 18 12 18 23 32 21 29 11 14 17 10 5 4 6 4 4 5 3 4 3 9 8 12 3 2 2 3 3 2 5 17 11 90 67 12 6 7 3 3 2 2 3 3 4 2 2 2 1 2 3 3 1 2 5 4 2 9 4 7 19 8 5 7 2 3 3 3 3 4 3 4 4 7 2 2 3 3 2 2 2 2 25 11 5 5 9 3 2 3 6 7 3 6 3 1 4 12 22 10 5 6 7 6 8 5 7 11 18 8 26 58 22 18 8 10 12 13 9 10 6 5 11 15 10 11 32 31 18 5 5 5 6 6 13 13 15 21 13 47 9 7 11 100 22 9 14 4 5 3 1 2 3 4 10 6 5 2 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 2 1 1 2 2 1 2 2 2 2 2 3 3 3 3 3 5 6 6 3 4 3 3 6 5 9 26 23 34 93 30 12 10 5 4 4 2 2 3 3 2 1 2 3 1 1 2 3 2 4 6 9 23 37 82 22 16 3 5 5 4 3 3 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 m 5H | 72 71 m 2H | 68 68 tt 1H J 12 70 | 66 66 m 2H | 52 51 s 2H | 46 45 t 1H J 52 | 40 39 tdd 1H J 31 59 83 | 37 35 m 6H | 35 34 dd 1H J 59 110 | 34 33 dq 1H J 56 139 | 33 32 dq 1H J 56 139 | 20 19 ddt 1H J 57 81 129 | 18 17 ddt 1H J 57 81 130 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1cc(O)c2ccccc2n1
ir: 6 3 8 3 3 4 4 2 1 6 8 16 15 4 3 3 4 4 1 2 1 2 1 6 5 2 1 5 5 3 5 5 11 11 2 2 2 4 8 4 4 6 21 48 31 26 6 5 13 0 4 3 3 0 2 4 2 0 2 3 1 3 6 3 1 1 6 15 12 4 2 9 2 2 2 7 2 34 5 4 6 37 6 4 0 64 18 4 2 2 2 2 1 2 2 2 6 2 3 2 0 1 2 2 1 3 14 2 1 3 7 7 5 5 6 9 2 11 10 33 18 10 8 4 10 7 6 10 5 6 6 13 22 4 2 2 4 3 3 6 19 47 9 15 59 44 19 11 15 10 4 1 1 2 1 1 10 3 2 1 39 3 1 1 3 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 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 1 1 1 1 1 1 1 4 3 3 2 2 1 2 2 2 2 5 5 2 2 2 4 6 2 9 18 32 27 13 28 8 4 4 4 1 4 10 100 11 2 2 2 1 1 1 2 1 0 2 2 4 5 6 11 37 15 8 2 1 1 1 1 0 1 1 1 1 2 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 82 m 1H | 82 82 d 1H J 97 | 81 80 dd 1H J 15 74 | 78 78 td 1H J 13 72 | 75 75 ddd 1H J 13 68 88 | 74 74 s 1H | 45 44 dt 1H J 62 97 | 37 37 s 3H | 25 24 dt 1H J 87 165 | 24 23 dt 1H J 88 165 | 22 21 dtd 1H J 62 88 141 | 20 19 dtd 1H J 63 87 143 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(C(c3ccccc3)c3ccccc3)c1C2
ir: 0 1 3 1 0 0 0 1 2 1 1 1 3 1 1 1 2 1 0 1 13 3 1 0 0 0 0 2 2 4 9 9 6 10 4 3 2 7 18 21 36 5 16 2 3 2 1 1 0 1 1 1 10 6 5 1 0 0 0 1 4 1 4 7 7 9 13 11 13 25 4 1 2 2 0 1 1 1 2 5 2 1 1 1 1 1 1 1 8 4 6 4 1 2 1 1 6 4 4 8 2 2 2 4 2 1 0 0 1 1 1 1 3 5 3 1 1 2 2 3 4 2 3 3 2 3 5 5 4 4 4 4 12 4 11 20 7 3 1 2 2 8 9 25 14 7 3 4 5 1 4 7 19 4 3 1 0 1 3 1 1 1 1 2 9 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 1 3 2 1 1 2 3 5 20 45 17 56 100 31 16 6 7 3 4 3 4 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 d 1H J 25 | 76 75 d 1H J 20 | 75 74 m 1H | 73 73 m 9H | 73 72 m 4H | 72 72 dd 1H J 7 22 | 54 54 m 1H | 42 42 d 2H J 7 | 14 14 s 8H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cccc(Cc2c(-c3ccccc3)nn3cc(Cl)ccc23)n1
ir: 5 4 2 1 1 5 3 2 2 3 4 2 1 2 1 3 1 2 7 3 1 4 3 2 3 1 2 5 8 4 3 8 4 23 17 25 28 21 10 6 4 7 16 11 4 8 5 100 40 9 3 3 1 2 2 3 3 3 15 7 27 14 5 5 9 9 13 0 6 2 1 0 2 1 1 1 2 2 2 2 6 6 3 1 2 2 1 1 1 1 9 1 1 1 1 1 2 2 5 2 3 1 1 0 1 1 1 1 4 6 5 1 2 2 2 1 1 1 1 5 2 2 5 3 6 4 1 5 7 14 17 23 2 8 7 9 9 14 19 2 1 4 17 17 9 7 27 20 19 9 66 11 18 8 2 7 16 14 30 2 4 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 1 1 1 2 1 3 3 3 4 20 6 11 36 64 35 18 10 9 3 1 1 1 1 2 1 1 1 1 1 0 0 1 1 1 2 2 3 8 13 3 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; 1HNMR: 89 88 d 1H J 17 | 82 82 s 1H | 79 78 d 1H J 95 | 76 76 m 2H | 76 75 m 2H | 74 74 m 5H | 72 71 ddt 1H J 9 38 46 | 44 43 d 2H J 7 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CC=C(c2cc3c(cn2)O[C@@H](C2CCN(C(=N)NO)CC2)C3)CC1
ir: 16 11 16 4 7 5 8 5 1 2 3 2 1 1 2 1 1 2 3 6 0 4 2 3 3 2 2 5 4 2 3 6 5 6 9 4 6 6 6 3 7 5 3 2 5 3 3 2 2 3 2 1 3 2 1 2 3 6 3 3 2 2 2 1 2 3 7 5 16 13 10 7 12 6 4 2 37 8 1 1 3 13 3 6 8 7 4 4 23 19 10 6 2 3 3 4 6 11 9 11 8 7 7 19 10 8 12 3 3 2 2 6 13 3 3 3 9 5 3 9 18 14 8 2 5 4 2 1 2 2 2 1 2 3 4 2 7 6 1 1 1 1 1 1 5 4 1 1 1 1 1 2 7 3 6 10 83 36 19 10 2 10 3 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 6 6 5 3 2 3 2 2 10 10 16 11 13 10 7 5 3 4 5 11 25 42 21 21 100 57 21 13 4 2 3 2 1 1 2 2 0 1 31 4 2 2 3 2 1 1 2 2 2 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 93 93 d 1H J 26 | 80 80 s 1H | 75 75 t 1H J 9 | 74 74 s 1H | 66 66 tt 1H J 9 46 | 57 56 d 1H J 27 | 47 46 ddd 1H J 38 57 68 | 37 36 dt 2H J 11 46 | 36 34 m 6H | 33 32 ddd 1H J 9 38 147 | 31 30 m 3H | 29 28 s 2H | 20 19 m 3H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C12CCCC(NC(=O)OCc3ccccc3)(CC1)C2
ir: 3 3 2 1 1 0 0 1 1 1 1 1 0 1 3 1 2 6 5 11 1 8 2 0 1 3 1 2 4 9 7 1 1 18 13 6 3 1 8 0 23 3 2 1 1 0 1 1 1 0 1 0 0 0 0 1 1 0 0 0 1 0 0 0 1 2 15 4 1 2 1 1 0 0 0 1 1 0 3 1 2 0 1 1 0 1 1 0 1 5 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 1 1 8 4 2 2 0 0 0 1 1 1 2 2 1 2 1 1 0 2 2 1 1 0 1 1 2 1 1 0 1 0 3 5 27 14 12 5 1 1 8 1 1 1 1 1 0 1 10 44 7 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 2 1 1 1 1 1 1 1 7 4 3 30 5 3 1 0 0 0 0 1 0 0 0 0 0 0 0 1 12 3 0 1 0 1 2 17 4 4 2 1 2 4 100 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 d 4H J 41 | 73 73 ddd 1H J 37 49 82 | 64 64 s 2H | 55 54 s 1H | 50 50 s 2H | 23 23 dd 1H J 8 141 | 21 20 m 1H | 20 19 ddd 1H J 51 68 139 | 20 18 m 3H | 18 15 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CC2OCCOC2C1C(=O)OC
ir: 8 14 13 6 6 5 6 5 6 4 4 4 5 6 6 12 12 5 3 4 4 3 4 5 6 4 3 4 5 4 8 10 5 7 4 3 3 3 4 3 3 3 5 5 5 3 3 4 3 4 3 4 6 8 6 5 4 5 7 5 4 7 5 5 6 14 6 5 8 6 6 8 9 5 4 7 4 7 8 3 4 4 4 4 3 3 3 3 3 3 3 6 5 5 5 6 5 10 13 7 8 7 15 18 10 16 14 10 6 18 12 20 17 16 7 6 6 5 4 9 8 6 6 6 10 7 11 10 8 9 9 8 11 9 8 4 6 4 5 5 7 0 10 100 59 9 9 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 5 4 5 4 6 13 5 7 7 6 9 13 11 9 10 7 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 46 46 dd 1H J 40 70 | 43 42 td 1H J 40 47 | 39 39 tdd 2H J 25 52 112 | 38 37 m 2H | 38 38 s 4H | 36 36 s 2H | 34 33 dd 1H J 71 91 | 32 31 dt 1H J 66 90 | 25 24 ddd 1H J 48 66 139 | 21 21 ddd 1H J 48 66 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)ON(CCC(O)CO)C(=O)OC(C)(C)C
ir: 10 11 16 8 17 19 17 10 22 19 16 13 12 13 15 6 5 5 4 4 4 5 4 4 4 3 6 4 4 3 3 3 4 5 3 3 4 4 5 4 5 3 5 5 4 3 3 4 3 3 4 6 3 4 4 4 3 3 4 5 4 11 5 8 4 10 4 4 4 5 4 5 4 4 4 6 4 3 4 4 4 5 4 4 5 10 26 9 13 56 34 24 11 6 9 5 8 6 5 4 3 4 4 4 1 10 3 4 5 3 5 6 4 4 5 4 32 46 7 9 10 10 4 5 3 5 9 12 10 10 12 10 6 4 5 3 4 3 3 3 3 3 2 4 4 2 3 50 3 1 3 100 0 6 4 2 2 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 6 5 4 6 5 4 3 3 4 5 7 12 10 22 11 5 5 4 4 6 5 7 8 33 87 19 6 6 6 4 3 4 4 3 3 3 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 38 37 m 4H | 37 36 dt 1H J 98 132 | 35 34 m 2H | 30 30 t 1H J 58 | 21 20 dtd 1H J 63 99 133 | 18 17 dtd 1H J 62 98 134 | 16 15 s 8H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=C1CCP(c2ccccc2)C1(c1ccccc1)c1ccccc1
ir: 1 5 2 1 5 7 19 5 4 1 1 2 1 2 2 5 1 1 0 1 1 1 2 2 0 1 1 1 1 12 7 11 21 11 3 6 4 6 6 57 49 47 21 6 4 2 4 1 1 0 1 1 2 0 1 2 2 0 1 3 1 0 2 2 1 4 2 4 16 5 9 2 1 1 3 7 7 16 10 6 8 8 6 2 3 3 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 4 2 1 1 1 8 4 1 2 4 12 5 9 10 7 5 2 3 1 2 3 1 2 2 4 4 2 1 1 2 2 3 4 4 59 6 2 2 1 2 3 25 29 32 12 45 8 4 2 3 5 3 5 4 1 1 2 6 13 6 3 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 3 3 1 2 2 2 2 6 11 16 10 35 79 100 13 7 3 2 1 1 1 2 2 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 74 m 4H | 73 73 m 7H | 72 71 m 4H | 57 57 t 1H J 9 | 37 37 s 2H | 31 30 m 2H | 27 26 td 2H J 9 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC1CCOC(=O)C1c1ccccc1
ir: 4 2 1 2 3 2 3 13 3 2 5 3 3 2 6 5 4 4 5 5 6 2 2 4 2 2 2 2 4 3 6 4 4 5 13 15 4 3 4 1 6 100 6 5 3 0 1 3 2 1 9 5 3 1 8 3 2 1 2 2 2 1 2 3 2 2 8 6 10 10 7 14 6 5 4 3 2 2 6 4 2 2 2 4 3 2 3 2 2 5 2 3 2 5 3 2 2 6 2 3 2 6 3 2 1 3 4 2 5 38 13 5 3 3 4 4 1 7 3 11 5 4 4 2 3 4 2 2 4 3 4 3 1 3 4 23 2 3 8 39 5 4 6 16 43 13 8 2 2 3 2 1 9 3 2 1 1 2 2 5 2 2 2 1 2 2 2 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 1 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 4 4 4 2 2 6 33 4 6 5 14 11 23 72 38 8 3 15 4 2 3 3 5 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 74 73 m 5H | 59 57 m 1H | 53 52 dt 1H J 20 163 | 51 51 dt 1H J 19 108 | 43 42 ddd 1H J 42 70 111 | 42 41 ddd 1H J 42 70 110 | 37 36 dq 1H J 10 91 | 31 30 m 1H | 21 20 m 1H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CC#N)C(=O)c1ccccc1Oc1ccccc1
ir: 4 2 1 1 4 2 3 8 1 2 1 1 2 1 1 1 1 1 0 1 2 1 0 2 1 1 1 4 4 3 4 2 9 13 9 7 5 2 7 7 23 29 25 18 9 10 5 3 1 0 1 2 2 0 2 4 4 3 2 3 2 0 2 3 1 0 1 4 18 7 2 2 1 2 4 5 2 1 2 5 1 1 2 3 2 3 2 2 1 0 2 1 2 1 2 1 1 1 2 1 0 1 2 1 0 1 3 2 0 1 2 1 2 4 2 2 1 1 2 3 2 5 11 18 3 2 2 2 2 4 2 5 6 3 2 7 3 7 8 6 12 6 9 21 11 10 12 23 21 25 20 17 4 3 3 8 1 2 5 8 6 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 5 2 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 2 4 1 1 3 6 5 4 13 39 100 20 6 5 3 3 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 m 2H | 74 73 m 2H | 73 72 ddd 1H J 12 76 86 | 72 71 dd 1H J 13 78 | 71 71 tt 1H J 14 75 | 70 70 m 2H | 44 44 s 2H | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncccc1-c1cccc2c(N)c(C(=O)NC3CC3)nnc12
ir: 1 2 1 5 4 1 2 1 3 2 1 3 1 2 2 3 2 4 6 2 4 4 7 9 10 18 7 20 5 7 9 10 8 9 7 2 1 15 16 8 6 4 15 5 7 39 22 3 4 4 1 1 1 5 1 3 1 4 3 1 1 2 2 3 1 2 1 1 1 3 1 4 1 1 1 1 2 2 2 1 1 3 2 8 5 4 3 4 2 2 1 1 1 1 3 3 1 2 4 3 1 1 1 2 1 1 0 1 1 0 1 0 7 1 0 2 1 0 1 1 1 1 1 1 8 7 3 3 1 3 12 8 2 11 4 3 5 18 32 4 6 3 2 6 5 2 3 6 5 1 2 6 9 12 10 6 5 8 23 12 7 25 9 3 2 2 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 2 3 2 4 6 8 14 15 3 3 2 1 2 1 1 1 1 1 0 2 1 0 1 1 9 43 3 5 2 8 24 8 3 1 2 4 9 100 20 3 1 1 1 0 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 dd 1H J 7 86 | 82 81 dd 1H J 22 42 | 80 79 dd 1H J 22 77 | 79 78 dd 1H J 7 86 | 76 76 t 1H J 85 | 75 75 d 1H J 81 | 73 73 s 2H | 73 72 dd 1H J 42 77 | 41 40 s 2H | 30 29 dp 1H J 47 82 | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.