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CC(C)CN(C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(C)C)S(=O)(=O)c1ccccc1
ir: 2 5 6 8 7 16 16 9 19 10 14 16 21 13 7 15 5 5 4 3 3 3 4 3 3 3 4 2 2 7 6 23 10 4 4 2 7 9 12 1 100 0 11 20 8 2 7 8 7 3 4 7 7 3 4 8 7 3 4 3 7 7 11 6 20 13 5 3 6 7 4 4 5 3 6 10 24 9 27 8 5 7 7 8 51 40 44 75 13 5 3 5 6 4 3 5 5 7 9 6 7 10 24 8 12 18 7 10 10 12 6 10 11 9 2 7 15 10 9 8 20 14 5 11 9 6 5 9 14 10 10 16 12 19 16 29 5 16 8 6 3 6 9 3 3 4 6 4 4 4 3 66 3 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 4 3 3 3 3 3 4 5 3 8 5 4 6 6 42 8 12 35 21 4 5 4 2 2 3 4 2 2 3 3 2 2 3 6 5 14 44 82 9 5 6 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 80 79 tt 1H J 15 75 | 78 77 m 2H | 77 76 m 2H | 38 37 m 2H | 35 34 m 2H | 33 33 ddd 1H J 17 60 119 | 31 30 m 4H | 29 28 dddd 1H J 18 49 66 120 | 27 26 dddd 1H J 18 49 66 120 | 22 22 q 1H J 70 | 21 20 dddd 1H J 21 34 62 103 | 20 19 m 2H | 15 14 s 7H | 12 11 dd 6H J 51 136 | 8 8 dd 6H J 12 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nc2cc(I)ccc2c(=O)[nH]1
ir: 2 2 2 12 11 5 4 2 8 8 4 2 1 1 4 2 1 3 3 2 1 1 1 2 4 7 17 6 0 2 2 0 1 2 2 2 2 1 1 1 1 2 3 2 2 4 6 9 25 26 4 2 2 3 7 5 2 2 4 3 6 2 2 2 2 2 2 1 4 4 1 1 2 2 4 3 2 1 1 1 2 1 1 1 6 6 2 2 2 5 3 2 1 1 1 1 1 1 1 1 1 1 0 2 7 1 1 2 2 2 6 21 14 42 9 8 12 7 2 2 2 1 1 1 8 8 3 5 11 4 25 25 0 1 1 1 1 1 1 1 1 2 20 25 2 10 2 76 67 11 12 2 3 7 4 1 2 2 1 1 12 13 49 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 2 2 1 2 2 2 3 4 4 3 7 17 29 12 2 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 3 4 3 5 7 48 100 11 0 1 3 3 1 1 3 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 76 | 79 78 d 1H J 17 | 78 78 dd 1H J 21 74 | 43 42 q 2H J 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)O)c(CN2CCC(c3cn(Cc4ccco4)c4ccc(OC)cc34)CC2)c1
ir: 6 10 6 5 10 17 4 9 4 6 10 10 10 12 7 8 10 12 12 11 24 39 83 100 43 17 9 6 5 4 3 3 3 5 6 9 8 15 10 6 4 4 3 2 3 2 2 2 3 2 3 5 5 54 87 4 7 6 4 9 7 7 5 9 21 54 34 56 13 8 8 14 19 14 17 41 9 20 73 43 17 21 12 17 3 9 16 20 9 10 12 7 5 5 16 10 15 6 5 5 5 5 2 10 20 11 4 5 5 4 5 8 9 18 20 16 16 4 5 10 9 4 10 6 5 6 3 8 6 6 7 6 4 7 8 3 3 4 4 2 10 8 18 47 13 5 5 7 18 5 5 18 30 30 8 15 7 4 2 3 2 0 4 17 14 2 2 3 1 0 1 3 2 1 2 3 2 1 2 2 2 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 4 2 1 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 2 4 4 4 4 5 3 1 6 6 9 10 12 8 14 49 32 43 66 77 11 4 2 1 42 58 22 4 2 2 2 2 2 1 1 2 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 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 78 d 1H J 91 | 73 72 t 1H J 16 | 71 71 d 1H J 82 | 70 70 m 2H | 70 69 dd 1H J 27 82 | 69 68 m 2H | 64 63 ddt 1H J 9 17 37 | 63 63 dd 1H J 15 40 | 53 53 d 2H J 9 | 39 38 s 2H | 38 38 m 5H | 31 30 m 1H | 29 28 ddd 2H J 53 81 121 | 27 26 ddd 2H J 53 81 121 | 22 21 ddt 2H J 51 79 125 | 19 18 ddt 2H J 51 81 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc2c1ccn2Cc1ccc(-c2ccccc2)cc1
ir: 9 5 5 3 3 1 1 2 4 4 5 5 3 4 2 2 2 1 0 2 2 2 3 2 3 2 5 7 8 7 13 10 16 12 7 5 4 6 8 15 33 37 18 8 3 2 4 7 19 9 6 9 5 2 2 5 11 7 3 7 1 1 2 2 1 0 2 4 2 6 10 4 1 1 3 5 2 2 4 3 1 1 2 2 2 1 2 3 5 20 3 3 1 3 3 3 3 3 8 7 1 4 5 4 1 3 4 2 1 1 2 1 0 1 2 2 1 3 4 3 3 3 4 3 0 5 7 2 1 2 4 6 4 7 22 11 5 6 5 7 15 28 100 18 4 4 3 7 6 7 8 9 5 4 10 7 6 1 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 8 6 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 2 3 2 2 2 4 7 20 31 79 49 26 38 26 18 9 3 4 2 2 2 2 1 1 1 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 dt 1H J 8 56 | 76 76 m 2H | 76 75 m 3H | 75 74 m 2H | 74 73 m 1H | 74 73 m 2H | 72 71 dt 2H J 9 74 | 68 68 d 1H J 42 | 54 54 q 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(C2=Nn3c(Cl)nnc3CC2)cc1
ir: 5 4 3 3 3 4 12 8 8 6 8 22 14 10 8 4 4 6 2 3 5 3 2 2 2 1 1 8 12 1 1 3 2 3 7 4 3 1 1 1 4 18 17 3 2 1 1 2 1 3 8 8 5 10 18 39 9 2 4 4 3 2 13 16 7 1 1 2 1 10 7 7 1 0 2 2 1 0 2 2 1 0 1 2 2 3 12 4 5 3 3 3 1 2 3 2 0 2 4 3 0 21 10 4 1 2 2 3 1 4 19 38 4 5 4 3 1 10 13 11 4 8 8 21 20 15 24 6 8 19 43 7 4 14 10 92 23 3 4 1 8 69 5 2 4 5 4 10 28 46 13 32 12 8 3 3 1 2 2 1 1 3 8 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 0 2 2 2 1 1 2 2 2 3 11 4 2 5 4 6 3 6 40 85 24 70 100 62 18 7 3 4 5 2 3 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 78 m 2H | 72 71 m 2H | 33 32 m 2H | 31 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(CCOc2ccc(C(=O)N(C)C3C4CC5CC3CC(O)(C5)C4)cc2)nc1
ir: 1 1 8 16 2 3 2 3 2 3 1 1 2 3 2 1 1 1 3 2 2 2 4 1 2 3 3 6 1 4 4 6 7 13 15 6 10 15 14 17 8 9 4 2 2 4 1 0 2 3 3 3 5 12 9 25 14 6 3 10 4 3 3 3 3 2 3 5 6 11 11 16 8 4 6 11 12 7 8 6 5 3 1 2 2 5 2 4 4 2 4 4 12 4 12 11 2 2 1 3 5 5 4 7 3 3 5 8 5 5 7 6 5 5 3 5 5 2 4 5 5 4 25 11 9 22 6 11 7 10 5 6 6 4 4 8 10 13 7 5 3 1 2 3 11 18 15 4 8 16 19 22 7 7 1 1 0 2 4 1 18 2 8 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 3 4 4 3 4 9 5 5 5 6 8 5 9 13 32 8 30 61 26 13 12 14 15 11 20 100 11 7 2 6 5 2 3 3 6 5 2 2 3 2 3 6 2 2 2 3 4 3 1 2 3 1 1 1 1 1 0 1 1 0 0 1 0 1 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 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 1 0 0 0 1; 1HNMR: 87 87 dd 1H J 10 19 | 82 81 ddt 1H J 9 20 81 | 79 78 dt 1H J 10 80 | 77 76 m 2H | 70 70 m 2H | 44 43 t 2H J 60 | 38 38 tq 1H J 15 70 | 34 34 td 2H J 9 59 | 31 30 s 1H | 29 29 d 3H J 15 | 28 27 qt 2H J 9 77 | 21 20 hept 1H J 57 | 20 19 m 4H | 19 18 dt 2H J 56 126 | 18 17 m 4H | 17 16 dt 2H J 57 128 | 13 12 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccccc1)c1cccc(C(F)(F)F)c1F
ir: 2 3 2 1 2 1 1 1 1 1 1 5 5 1 1 2 2 2 3 1 1 1 1 1 1 1 2 1 1 2 2 1 9 10 79 12 6 9 64 21 4 6 10 43 2 4 2 4 26 1 1 2 1 0 1 2 1 0 1 2 3 1 1 2 1 1 1 4 3 2 2 1 1 1 3 12 3 6 9 2 3 2 3 1 1 1 1 1 2 2 1 1 1 1 2 2 5 4 12 35 17 6 11 12 2 2 2 1 1 1 1 1 3 2 5 14 4 2 7 18 5 3 13 17 3 2 1 1 2 2 2 2 4 7 21 50 9 4 4 11 15 16 15 2 6 9 6 4 37 7 3 2 2 2 2 1 1 2 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 4 6 7 100 42 16 4 3 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 78 77 t 1H J 16 | 77 77 m 1H | 76 75 m 2H | 75 75 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c(=S)[nH]c(=S)c2[nH]c(C3CC3)nc21
ir: 2 4 2 1 0 1 1 1 1 2 1 1 1 1 1 1 3 6 1 1 0 2 1 1 2 1 3 3 2 2 1 1 2 1 2 9 7 3 2 2 2 4 1 1 2 12 14 8 6 3 2 1 1 6 72 100 12 3 6 4 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 0 1 2 1 0 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 1 1 1 1 0 1 1 3 7 2 1 1 3 2 2 2 6 2 1 1 1 2 2 1 1 1 1 1 2 3 11 7 6 5 2 2 1 1 5 8 10 3 11 3 4 1 3 7 75 7 3 4 7 23 25 0 0 1 1 2 3 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 3 6 7 2 2 1 2 1 3 2 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 3 5 16 22 33 25 6 2 2 1 0 1 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 45 44 t 2H J 73 | 27 26 p 1H J 47 | 19 18 h 2H J 76 | 12 10 m 6H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Br)c2c1c(N)nn2C
ir: 6 8 6 8 3 4 1 3 4 20 11 12 8 6 3 4 4 2 4 12 9 8 5 4 5 4 3 5 3 2 1 2 3 2 2 3 2 3 5 5 2 2 2 2 2 3 3 1 1 2 1 1 1 1 22 1 2 2 1 3 3 2 2 2 1 1 1 1 1 2 3 3 3 1 2 2 2 1 1 1 1 1 6 8 2 1 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 3 1 1 1 9 11 4 2 1 1 1 1 3 6 1 1 1 1 1 3 2 1 1 3 8 3 2 1 2 2 13 8 3 3 14 10 10 34 94 66 32 15 4 4 24 19 5 1 0 1 2 1 2 1 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 0 0 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 3 1 1 2 2 1 3 2 2 6 6 3 2 1 2 2 1 1 1 1 0 1 1 0 0 1 1 2 32 26 4 2 1 1 1 1 0 2 3 4 31 100 25 3 1 2 1 1 0 1 1 0 0 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 d 1H J 77 | 67 66 d 1H J 79 | 62 62 s 2H | 39 39 d 6H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C(=O)Cc1ccccc1Br)c1ccccc1
ir: 1 2 1 2 3 2 2 2 2 3 3 1 2 1 1 2 2 13 2 1 2 1 2 3 5 3 3 4 2 3 9 4 10 17 8 4 3 2 4 13 96 24 14 33 2 3 2 1 2 3 2 1 2 3 3 3 2 2 2 2 2 1 1 1 2 2 3 1 7 8 3 4 3 2 4 5 9 7 4 7 4 2 1 2 3 2 1 1 2 4 9 4 1 2 1 1 2 1 2 2 3 2 1 2 2 2 3 9 3 2 2 2 3 3 6 2 1 2 3 3 2 4 8 5 6 3 2 2 2 4 3 5 2 3 8 9 19 8 3 4 6 10 10 3 2 7 6 44 34 0 1 8 4 1 1 2 1 1 2 1 5 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 4 2 2 2 4 3 7 7 7 15 100 38 7 5 4 3 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 75 m 1H | 74 74 dddd 1H J 17 33 41 68 | 74 73 m 4H | 73 72 m 3H | 37 37 q 2H J 78 | 36 36 d 2H J 10 | 12 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCOC(=O)c1cc(F)ccc1Nc1ccnc2c(C(F)(F)F)cccc12
ir: 11 7 9 3 4 2 6 4 23 24 19 3 3 7 11 20 4 6 14 2 2 13 6 4 5 10 19 6 11 15 10 5 3 5 6 4 4 8 7 19 15 12 7 9 17 42 72 33 5 10 4 2 2 8 23 33 25 14 3 3 2 3 3 3 5 8 10 31 9 7 3 10 3 5 7 6 3 5 8 4 7 6 3 2 4 5 7 14 4 8 6 10 12 5 5 7 13 2 5 37 9 5 7 4 5 4 4 4 4 9 3 6 4 15 11 11 13 6 15 40 32 10 3 5 7 5 2 2 5 5 9 4 4 5 2 3 3 3 8 8 5 6 1 15 14 3 13 18 100 28 84 12 4 22 8 18 3 5 49 5 4 6 58 21 53 17 6 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 6 10 6 18 69 25 29 4 2 2 3 2 0 2 2 1 1 2 2 2 2 3 4 2 2 6 22 8 64 71 14 18 5 4 4 3 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 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: 86 86 d 1H J 42 | 84 83 s 1H | 83 82 m 1H | 81 80 dp 1H J 13 114 | 78 77 dd 1H J 26 121 | 76 75 dd 1H J 85 114 | 75 74 dd 1H J 46 80 | 72 71 ddd 1H J 26 79 105 | 71 71 d 1H J 42 | 44 43 t 2H J 66 | 26 26 t 2H J 66 | 25 24 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)c1cc2c(F)cccn2c1-c1ccccn1
ir: 3 4 18 18 8 4 3 3 8 5 3 4 4 2 2 4 5 3 3 3 4 3 4 6 9 9 5 5 6 3 5 6 11 10 7 8 8 4 21 24 56 2 16 25 11 15 62 76 28 6 19 12 25 46 64 35 51 14 42 15 23 12 13 24 17 18 34 37 46 36 26 33 23 34 28 56 10 12 18 15 15 21 12 34 15 13 6 5 5 4 5 4 3 2 5 7 6 3 4 3 3 4 11 9 3 5 5 8 10 14 9 5 1 5 5 5 8 6 13 8 2 5 6 10 28 25 29 28 16 42 30 30 88 39 26 11 13 11 9 5 23 8 7 11 6 8 10 16 25 10 8 5 4 15 28 34 7 11 21 20 3 11 5 0 2 6 3 0 2 5 2 0 2 5 3 0 2 4 2 0 3 4 2 1 3 4 2 2 3 3 2 1 3 3 1 2 3 3 2 2 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 3 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 2 4 7 3 1 2 3 3 2 4 5 4 3 4 17 7 8 15 66 65 47 73 34 13 4 8 7 3 4 7 13 52 37 100 15 18 15 13 10 13 68 98 14 5 4 3 5 1 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 3 3 1 3 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 1 2 3 2 1; 1HNMR: 91 91 dd 1H J 16 67 | 87 86 dd 1H J 17 40 | 80 79 dd 1H J 14 67 | 77 76 td 1H J 16 69 | 74 73 m 3H | 68 68 m 1H | 44 43 m 1H | 24 23 d 2H J 53 | 15 15 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(OCc2ccccn2)nc(N)nc1C1=CCCO1
ir: 6 3 5 5 3 3 2 3 1 3 1 4 2 3 4 5 2 3 5 4 6 5 5 3 1 3 2 4 16 9 24 3 4 5 5 4 6 2 25 4 2 1 4 7 11 28 10 8 4 2 1 2 3 7 9 3 8 3 2 5 4 4 1 2 10 17 3 1 2 1 2 2 13 12 1 1 1 1 1 3 1 1 1 2 1 0 1 0 2 3 4 1 1 3 2 1 1 1 1 1 1 0 1 0 0 1 2 1 3 1 0 0 1 0 1 1 0 6 3 4 3 2 1 2 2 1 1 1 3 3 1 1 0 1 1 4 14 6 14 5 8 5 22 15 16 12 11 39 39 100 9 3 3 0 2 2 7 17 1 1 2 1 1 1 1 1 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 45 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 3 1 1 1 1 0 2 1 2 4 5 8 18 9 3 1 1 1 2 1 1 1 1 1 1 2 2 3 2 3 17 36 5 4 5 2 1 1 1 1 1 1 11 58 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 dd 1H J 16 41 | 79 78 td 1H J 16 73 | 74 73 ddd 1H J 15 42 75 | 73 73 dq 1H J 11 75 | 63 63 s 2H | 61 60 tt 1H J 9 48 | 53 53 d 2H J 7 | 46 45 td 2H J 9 36 | 30 29 dt 2H J 36 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCc1cccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c1
ir: 5 5 2 2 3 3 3 2 1 3 2 2 1 1 1 1 4 1 1 1 1 2 3 4 7 17 27 15 16 25 3 7 3 1 1 2 2 3 8 2 8 47 20 10 2 2 3 3 21 7 1 1 1 1 1 2 1 3 4 1 1 0 1 1 2 1 1 3 11 1 1 1 1 1 1 2 1 1 1 1 1 3 1 1 1 3 1 1 1 7 3 2 1 1 1 1 1 3 3 5 1 1 1 2 3 5 2 3 3 7 4 6 4 4 2 1 1 2 3 3 6 4 9 4 3 3 6 8 13 9 10 8 3 2 2 0 1 2 2 1 3 8 9 20 19 39 33 9 45 98 15 32 9 52 4 5 20 3 3 4 2 8 9 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 2 1 4 2 2 3 4 2 2 2 3 3 19 13 9 3 43 8 2 2 2 1 0 1 1 1 1 2 3 1 1 1 1 2 0 2 3 8 24 33 100 53 39 8 3 6 4 2 2 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 s 1H | 74 74 ddd 1H J 11 21 80 | 73 73 tt 1H J 9 22 | 73 72 t 1H J 79 | 70 69 ddq 1H J 9 20 75 | 68 68 s 1H | 52 51 t 1H J 49 | 34 34 q 2H J 52 | 28 28 tt 2H J 9 53 | 21 20 m 10H | 17 15 m 7H | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC[C@H](O)CNc1ccc(N2CCOCC2=O)cc1F)c1ccc(Cl)s1
ir: 5 7 11 7 6 10 5 11 11 17 12 22 6 9 15 16 20 20 25 18 53 11 5 29 41 23 38 26 19 8 6 8 7 4 4 4 10 12 8 10 14 15 16 39 26 9 7 8 5 13 10 9 14 20 34 9 8 2 3 4 19 21 6 7 3 4 6 10 6 3 5 4 2 2 11 6 3 15 4 3 1 2 6 3 4 3 4 8 4 13 10 12 17 25 48 29 14 5 14 7 12 26 7 4 3 6 12 13 51 3 6 3 1 5 9 6 3 6 25 14 7 16 32 12 14 11 11 21 7 4 5 5 5 13 13 6 6 4 4 2 2 15 29 56 30 34 48 5 18 40 60 23 30 32 18 5 6 46 4 2 2 3 2 1 2 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 2 1 2 3 1 1 3 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 3 1 4 6 4 1 3 4 3 1 6 8 7 5 13 53 49 44 15 48 100 23 26 9 10 8 4 4 3 5 5 4 5 2 3 5 5 7 11 26 93 37 26 9 9 8 4 3 2 2 3 2 1 1 3 2 1 2 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0; 1HNMR: 74 73 d 1H J 70 | 72 70 m 4H | 69 68 dd 1H J 47 96 | 61 60 td 1H J 36 64 | 45 44 d 1H J 51 | 43 43 s 2H | 42 41 dp 1H J 43 52 | 40 39 dd 2H J 46 58 | 39 38 dd 2H J 45 57 | 36 35 ddd 1H J 42 63 141 | 35 34 ddd 1H J 44 64 141 | 34 33 ddd 1H J 42 63 141 | 32 32 ddd 1H J 42 63 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCn1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)cnc3cc2c1=O
ir: 4 5 7 7 9 13 7 14 14 10 17 7 5 7 5 5 4 5 4 4 4 4 4 4 9 6 5 12 6 4 4 5 4 4 4 3 8 7 4 4 4 4 5 5 7 9 37 100 9 6 5 6 4 3 5 5 4 4 10 8 5 5 5 5 4 4 4 3 4 10 9 5 4 5 4 7 6 13 4 4 4 4 4 28 3 4 4 4 3 4 4 4 5 4 5 6 4 4 5 5 10 6 6 10 5 5 5 7 4 7 6 5 6 8 23 10 4 6 11 6 4 5 6 9 5 5 4 4 4 4 6 6 4 5 17 17 5 4 3 23 3 4 7 5 4 4 21 5 4 3 6 5 11 9 12 11 6 75 9 0 13 6 4 2 3 5 4 2 3 5 4 3 4 5 4 3 5 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 5 4 4 4 5 5 4 4 4 5 4 6 5 8 10 8 5 9 20 8 4 4 4 3 4 4 4 3 4 4 4 4 4 10 10 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3; 1HNMR: 89 89 s 1H | 86 86 s 1H | 84 84 d 1H J 18 | 83 83 s 1H | 51 51 d 2H J 24 | 50 49 qtd 1H J 16 55 75 | 44 44 dd 1H J 56 144 | 42 41 dd 1H J 55 143 | 27 27 t 1H J 25 | 15 14 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COc2cccc(O)c21
ir: 6 5 5 4 4 4 4 4 5 4 3 4 5 10 3 3 5 8 3 4 5 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 4 7 6 5 4 3 23 41 33 5 4 4 4 2 4 5 4 2 4 5 11 3 3 6 9 4 6 34 3 4 5 5 10 4 4 3 4 5 8 8 6 13 19 83 100 6 5 5 3 3 4 4 6 11 15 13 3 3 4 3 3 3 4 3 3 6 7 4 3 6 6 4 3 4 4 3 3 3 7 7 4 4 6 6 2 3 4 3 3 8 5 3 3 4 4 3 3 6 8 20 33 5 4 2 2 4 4 0 16 4 4 4 3 4 4 2 30 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 4 3 2 3 4 3 2 3 4 3 2 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 4 4 3 3 3 3 3 3 4 3 3 4 5 3 3 3 5 5 4 3 4 3 4 4 10 16 7 19 52 30 4 6 8 4 4 5 47 7 4 3 4 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 71 70 m 1H | 68 68 s 1H | 66 66 dd 1H J 8 71 | 66 65 dd 1H J 8 76 | 42 42 s 2H | 14 14 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)C(C)C)ccc1O
ir: 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 1 2 9 3 1 1 1 0 0 1 0 0 0 1 1 0 0 1 2 2 1 1 0 0 0 1 1 1 1 1 1 1 1 2 1 0 1 1 2 0 2 2 2 9 21 7 3 2 1 0 0 0 1 1 4 3 1 1 0 0 0 0 0 0 0 1 1 0 1 1 2 1 1 0 0 1 1 1 0 1 2 3 4 2 2 2 0 1 1 1 0 1 1 1 0 2 2 2 1 1 0 0 1 2 2 13 7 1 2 1 0 1 1 0 1 10 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 1 0 0 1 1 1 0 1 3 1 4 1 3 5 7 3 3 1 0 2 2 3 100 9 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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; 1HNMR: 77 77 dd 1H J 22 90 | 76 76 d 1H J 22 | 72 72 s 1H | 68 68 d 1H J 90 | 35 34 p 1H J 70 | 22 22 s 3H | 12 11 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cc1ccc(OC)c(NC(=O)Cc2ccc(C(F)(F)F)cc2)c1)OC(C)C
ir: 4 2 1 3 2 5 3 1 1 1 1 1 1 2 2 4 3 5 1 2 1 2 4 1 1 1 1 1 1 6 2 3 1 6 4 3 4 4 2 2 12 10 3 3 2 2 2 3 3 1 2 3 5 3 15 12 13 11 4 3 2 2 3 2 1 1 5 2 7 1 2 2 1 1 3 3 3 3 4 3 1 1 3 3 1 2 5 3 3 2 1 1 1 1 1 0 1 3 6 10 21 4 1 1 3 3 2 2 1 2 2 3 12 7 1 1 2 1 3 1 2 4 3 5 2 4 9 5 3 2 1 1 1 1 1 1 2 3 14 1 1 1 1 7 27 11 5 3 33 16 2 3 2 15 3 6 10 2 1 0 0 0 2 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 8 7 2 12 100 13 1 3 2 1 1 1 1 1 0 0 0 0 0 0 1 0 0 1 1 1 3 6 45 10 3 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 77 77 dt 1H J 9 19 | 76 75 dq 2H J 14 73 | 73 73 dp 2H J 9 68 | 69 69 ddt 1H J 9 20 84 | 68 68 d 1H J 84 | 42 41 m 4H | 39 39 s 2H | 37 37 t 2H J 9 | 32 31 ddt 1H J 8 66 139 | 30 29 ddt 1H J 9 67 139 | 12 12 d 3H J 59 | 12 11 d 3H J 59 | 11 10 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(Cc2ccc(C(O)Cc3ccccc3)cc2)c(C)c1CC(=O)O
ir: 1 1 1 1 0 2 1 3 3 6 6 7 5 9 8 12 4 7 7 19 35 31 7 7 1 3 1 1 2 3 3 3 1 2 1 1 1 1 2 6 3 2 1 1 2 5 2 0 1 1 5 4 1 2 2 5 2 2 1 0 1 1 1 1 1 2 1 4 1 6 2 1 1 2 4 4 5 16 10 5 4 3 2 1 4 12 4 11 17 4 5 2 2 2 7 3 2 1 1 1 0 1 0 1 0 1 1 0 3 1 0 0 0 0 2 1 2 2 1 2 4 6 1 2 5 3 6 7 2 1 2 2 2 1 1 5 3 8 3 1 2 3 20 25 7 6 4 2 5 2 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 1 0 1 1 1 2 3 6 5 14 11 19 5 2 2 1 1 5 100 5 9 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; 1HNMR: 74 73 dq 2H J 9 68 | 73 72 m 7H | 53 52 d 2H J 9 | 50 50 tdd 1H J 9 54 70 | 37 37 s 2H | 31 30 ddt 1H J 8 68 143 | 29 29 d 1H J 55 | 28 27 ddt 1H J 9 70 143 | 22 22 d 6H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccccc1Cl)c1ccc(OCCCl)cc1
ir: 0 1 0 2 2 2 2 1 1 1 1 1 1 1 1 1 2 4 2 2 5 7 4 3 1 1 1 2 3 1 1 0 2 6 3 3 2 2 2 3 6 6 17 16 7 2 2 6 5 1 1 13 12 9 11 4 18 1 1 2 1 0 1 1 1 3 3 1 4 8 3 2 1 1 2 1 3 0 1 1 1 1 1 0 0 0 1 2 4 4 1 1 1 1 1 1 1 0 0 1 3 1 1 1 1 1 1 2 1 1 2 2 3 1 2 1 1 1 2 2 4 3 1 2 3 3 7 1 2 3 2 2 2 1 1 1 17 6 2 18 17 5 5 2 5 1 1 7 18 12 9 8 2 1 2 1 1 1 0 0 0 1 2 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 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 1 1 1 2 3 4 5 8 12 100 38 9 4 2 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 74 73 m 2H | 73 72 dtd 2H J 17 75 244 | 70 70 m 2H | 43 43 d 2H J 7 | 42 42 t 2H J 23 | 38 38 t 2H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H]1CC[C@@H](Oc2ccc3nc(Cl)ccc3c2)CC1
ir: 2 3 11 4 2 1 1 1 1 1 1 1 2 2 1 2 1 2 1 1 2 1 1 2 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 8 29 3 1 2 3 5 45 8 4 14 12 7 2 2 0 3 3 2 3 2 1 16 4 2 7 2 1 7 2 1 2 2 1 1 1 1 1 1 0 4 1 7 2 1 1 1 4 2 1 1 1 1 2 2 4 3 3 6 5 12 4 3 6 4 1 1 4 4 4 4 4 5 2 2 2 1 3 1 3 2 4 4 2 4 9 9 2 2 1 1 1 1 1 1 1 1 5 14 4 3 7 2 3 3 68 1 4 43 1 13 8 2 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 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 3 4 3 4 2 2 3 2 3 6 15 2 10 27 100 12 7 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 dd 2H J 17 83 | 75 74 d 1H J 80 | 71 71 dd 1H J 24 85 | 69 69 t 1H J 24 | 45 44 m 1H | 20 19 m 2H | 17 16 m 4H | 16 15 ddddd 1H J 15 31 64 112 140 | 14 13 m 3H | 12 11 m 1H | 9 8 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)Oc1ccc(CCO)cc1)c1ccccc1
ir: 15 12 5 6 1 3 5 2 2 6 5 6 12 15 21 9 2 4 9 9 5 4 4 2 2 1 2 1 1 6 11 16 19 10 10 5 4 5 3 9 23 40 27 6 4 3 2 2 2 1 2 2 5 10 32 47 11 10 3 3 3 1 2 3 6 4 7 6 15 5 2 2 1 4 3 6 3 7 5 5 8 5 17 11 11 23 62 46 14 56 18 12 7 11 11 9 3 15 6 4 6 4 19 17 4 1 1 1 3 2 8 4 2 2 2 2 2 2 2 1 3 1 2 1 7 4 7 6 8 17 4 4 4 4 4 7 3 2 2 1 1 12 18 100 31 3 4 80 27 26 65 13 41 28 6 6 4 0 1 4 6 1 3 2 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 6 17 26 20 35 30 66 16 21 7 8 5 10 22 9 7 3 1 2 2 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 75 74 m 2H | 74 73 m 2H | 71 70 m 6H | 38 38 q 2H J 57 | 33 33 s 2H | 28 28 tt 2H J 8 57 | 17 17 t 1H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=CNc1ccc(OCC)nc1)C(=O)OCC
ir: 5 11 4 10 8 11 16 9 5 3 5 2 1 5 7 1 1 2 3 2 3 4 3 2 2 2 6 2 4 4 3 6 2 7 5 22 48 6 7 16 36 40 77 16 4 7 5 0 3 5 6 5 4 19 42 8 6 4 7 2 2 2 2 7 3 2 2 3 2 9 12 6 10 11 7 2 13 9 5 2 4 3 2 1 3 2 1 1 4 5 3 1 3 2 1 1 4 2 1 4 9 6 2 1 4 2 0 2 6 42 9 3 4 6 7 7 6 8 3 9 9 4 2 6 12 6 6 5 3 4 3 3 5 6 6 3 7 28 23 5 10 12 38 77 100 28 44 74 13 17 14 11 2 2 5 10 3 3 3 4 7 6 1 3 3 1 2 3 6 3 12 10 2 0 2 3 1 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 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 4 3 2 1 3 3 1 4 4 3 2 2 4 4 13 22 12 9 3 11 8 3 2 2 3 2 1 2 4 2 1 2 2 2 2 2 2 1 1 2 4 7 13 21 34 40 14 7 4 2 3 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 85 84 d 1H J 82 | 82 81 d 1H J 18 | 73 72 dd 1H J 18 88 | 68 67 d 1H J 88 | 44 43 q 2H J 67 | 43 42 qd 4H J 22 71 | 14 14 t 3H J 67 | 13 12 t 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CNC(=O)OC(C)(C)C)cc(N(C)C)c1
ir: 2 8 9 5 3 1 1 2 3 5 8 2 1 2 2 4 3 8 6 4 2 2 5 9 14 14 15 67 35 5 3 5 4 3 2 3 3 10 2 2 1 1 1 1 1 1 1 3 7 2 2 5 3 2 2 3 4 2 2 2 3 3 3 5 8 11 14 17 23 8 11 6 2 4 6 2 2 2 2 2 1 2 1 1 1 5 3 3 4 3 8 7 4 3 4 8 16 11 7 11 2 2 2 1 1 1 2 1 0 2 2 1 1 2 2 3 3 6 12 21 14 5 7 3 6 9 6 3 14 12 16 12 3 1 3 2 2 1 1 1 2 3 8 26 49 72 7 6 9 92 9 2 3 2 2 1 1 2 4 2 7 11 4 18 4 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 1 1 1 3 4 21 34 6 12 28 16 9 3 4 2 1 1 2 2 1 4 2 1 1 1 1 1 1 2 3 5 2 10 36 100 9 11 3 3 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 67 66 tt 1H J 9 21 | 66 66 tt 1H J 9 21 | 64 63 t 1H J 21 | 60 60 t 1H J 56 | 43 43 dt 2H J 9 57 | 38 38 s 3H | 30 29 s 6H | 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)c1c(C)cccc1COCCCCN(Cc1ccc2ccccc2n1)C(C)=O
ir: 8 6 5 3 6 9 7 8 4 7 4 7 7 3 8 7 8 8 20 9 6 2 2 7 18 25 11 4 2 2 1 2 4 2 3 2 5 8 16 3 1 4 63 15 7 13 63 41 14 8 4 2 9 24 32 18 19 3 6 0 7 8 4 7 4 13 14 3 5 15 36 12 5 7 17 15 3 2 0 1 2 2 3 13 5 3 4 11 2 5 3 5 2 3 4 9 8 9 3 2 5 4 2 3 16 6 5 15 11 22 21 24 13 3 6 4 5 8 10 14 3 12 4 4 5 8 12 11 1 6 9 16 15 10 9 28 21 9 6 22 12 5 2 3 34 33 18 100 33 69 8 3 2 2 4 72 97 13 4 1 1 1 1 0 1 4 1 0 1 1 1 1 1 1 0 0 1 0 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 1 2 4 2 3 4 6 5 3 2 6 3 3 7 13 49 27 30 76 68 30 9 3 2 3 1 0 2 2 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 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; 1HNMR: 81 81 d 1H J 82 | 81 80 m 1H | 79 79 m 1H | 78 77 td 1H J 12 76 | 75 75 td 1H J 14 78 | 74 74 dq 1H J 8 83 | 73 72 t 1H J 79 | 72 71 ddq 1H J 8 15 80 | 71 70 dq 1H J 10 77 | 47 47 d 2H J 7 | 45 44 d 2H J 7 | 39 39 s 2H | 36 35 m 2H | 34 33 m 2H | 25 24 d 3H J 6 | 21 21 s 2H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCn1c(C(=O)OC(C)C)nc(Cl)c1Cl
ir: 2 4 3 4 5 3 8 8 10 4 17 2 5 6 24 9 4 2 1 1 23 1 1 3 1 1 1 1 0 0 0 5 4 2 1 1 1 1 2 29 1 2 3 1 1 2 2 2 3 3 3 2 8 7 3 4 4 2 3 3 13 10 14 7 12 7 9 14 23 16 28 21 21 11 14 8 12 25 24 8 4 10 5 12 13 9 9 5 18 1 3 3 3 2 1 2 1 1 3 2 2 3 9 10 1 4 5 13 63 20 6 9 10 10 20 13 18 13 44 33 23 15 21 45 77 82 19 37 32 66 14 7 6 3 3 2 2 3 3 7 27 5 60 10 8 6 2 4 2 0 0 1 1 0 1 2 2 100 2 2 1 0 0 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 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 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 2 1 1 1 2 3 3 5 23 20 12 9 11 8 10 16 38 20 50 23 28 18 45 75 22 14 25 52 28 13 12 7 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 0 1 1 1 0 0 0 0 0 1 0 1 0 0 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 1 0 1 1; 1HNMR: 58 58 s 2H | 53 52 p 1H J 59 | 21 21 s 3H | 13 13 d 7H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C
ir: 10 2 2 2 1 3 3 3 3 4 1 2 3 2 2 2 1 4 7 4 4 3 2 3 2 3 6 5 5 39 36 36 13 11 9 5 4 8 11 4 3 1 3 3 6 2 3 1 3 2 6 7 8 3 5 5 3 2 4 1 11 25 26 8 6 7 5 6 11 9 2 7 3 4 2 2 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 3 1 1 1 1 1 3 4 7 3 2 2 5 11 13 16 13 18 13 26 11 40 13 19 15 5 14 14 13 3 6 5 16 17 4 11 12 3 7 9 2 2 1 2 1 1 1 1 1 1 2 2 9 28 19 8 4 5 83 11 2 1 1 1 1 1 0 1 0 0 0 0 0 0 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 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 2 1 3 2 1 1 3 1 2 3 3 3 2 5 15 29 7 1 1 1 1 1 1 1 1 1 1 1 0 2 2 2 1 2 2 3 21 100 53 26 7 13 48 44 28 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 49 48 d 1H J 71 | 40 39 m 2H | 33 33 m 4H | 31 30 m 2H | 28 28 ddd 1H J 23 40 133 | 22 22 p 1H J 42 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1=CC(=O)CC(c2ccsc2)C1
ir: 4 14 18 12 4 12 14 8 4 13 17 12 3 20 17 9 9 13 16 12 12 16 14 6 7 13 13 6 4 14 12 9 6 12 10 4 5 11 9 4 5 15 14 20 24 23 10 3 7 13 9 5 7 14 9 3 11 17 10 1 8 15 13 0 8 12 5 2 13 14 5 2 8 13 11 17 32 38 29 10 29 52 14 4 11 10 4 3 11 10 4 4 11 10 11 11 18 12 6 11 14 9 1 5 12 9 2 9 13 7 1 7 12 7 0 7 12 6 2 8 15 13 2 10 11 8 2 8 11 5 3 9 15 32 17 16 11 7 4 14 15 5 4 9 9 4 5 10 9 5 6 12 24 70 71 36 22 4 8 28 14 13 11 17 9 2 7 11 6 1 6 12 6 1 6 12 6 1 7 11 5 1 7 10 5 2 7 10 5 2 8 11 4 3 9 9 3 3 8 8 3 3 9 8 3 4 9 8 3 4 9 7 2 4 10 7 2 5 10 7 1 5 10 6 1 6 11 6 0 6 11 5 1 6 10 5 1 7 10 5 2 7 10 4 2 7 9 4 2 8 9 4 3 8 9 3 4 8 8 3 4 9 8 3 4 10 8 3 5 10 8 3 5 11 9 3 8 13 10 3 10 12 7 7 10 18 20 18 20 31 25 23 17 12 7 7 9 11 6 4 8 9 5 4 11 77 31 31 8 8 4 4 7 8 6 9 17 65 100 33 15 11 5 5 10 8 2 4 10 7 2 5 10 7 2 6 10 6 2 6 11 6 2 7 11 6 3 6 10 5 2 7 9 5 2 7 9 5 3 7 9 4 3 7 8 4 3 8 8 4 4 8 8 3 4 8 7 3 4 8 7 3 4 9 7 3 5 9 6 2 5 9 6 2 5 9 6 2 6 10; 1HNMR: 86 85 s 2H | 73 73 dd 1H J 18 55 | 71 70 m 1H | 70 69 m 1H | 50 49 p 1H J 9 | 33 32 tt 1H J 59 68 | 29 28 ddd 1H J 9 59 165 | 28 27 ddd 1H J 9 72 156 | 26 25 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2ccc3cc(OC)cc(O)c3c2=O)cc1
ir: 6 5 2 5 5 4 2 4 5 4 2 4 5 3 3 5 4 3 3 5 6 4 4 5 6 3 2 6 6 3 7 7 6 4 6 9 18 24 23 7 9 6 3 4 4 4 4 4 13 10 29 10 4 5 11 18 8 3 6 6 7 4 10 10 12 22 15 16 12 4 6 11 7 6 8 6 5 4 4 4 3 2 4 4 3 3 7 7 4 6 5 4 3 3 5 6 17 14 9 25 18 7 7 9 7 5 6 4 4 11 14 6 2 4 5 6 3 5 6 4 2 4 5 4 4 9 15 5 3 4 5 3 2 4 4 3 3 7 8 5 3 6 11 5 3 6 6 13 9 6 6 7 11 7 4 4 7 7 28 5 23 4 5 7 10 13 4 0 3 6 3 1 3 5 3 1 3 5 3 2 3 5 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 5 3 1 3 5 3 2 3 4 3 2 3 4 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 4 7 6 0 21 48 45 62 100 54 8 7 5 4 4 4 4 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 82 81 d 1H J 75 | 74 74 m 2H | 70 69 m 2H | 67 67 d 1H J 21 | 67 66 d 1H J 75 | 65 64 d 1H J 22 | 38 38 d 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NC(=Nc1cc(F)cc(F)c1)NC#N
ir: 7 3 4 9 7 7 5 5 5 4 3 3 7 3 2 4 7 9 18 9 16 10 13 14 7 6 7 8 4 7 18 14 16 11 5 5 10 4 4 4 8 9 7 4 3 2 3 2 2 2 2 2 2 2 2 3 3 6 5 4 5 3 3 3 5 8 14 4 14 8 11 10 8 3 3 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 6 1 2 2 3 4 2 6 12 3 2 2 2 2 1 2 3 3 2 2 3 4 10 5 4 3 15 6 3 3 7 9 12 12 4 5 6 6 8 24 16 51 25 15 11 10 8 6 4 2 34 39 7 3 2 4 3 2 3 0 100 5 48 2 2 2 2 1 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 12 2 2 2 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 2 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 5 6 3 18 20 6 4 3 2 2 3 2 2 2 2 3 3 2 3 3 3 2 3 3 4 4 5 8 20 49 78 39 30 9 9 10 3 4 2 3 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 1 2 2 1 2 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 1 1 2 1 1; 1HNMR: 72 71 ddd 2H J 11 23 115 | 69 68 tt 1H J 21 123 | 62 62 s 1H | 45 45 s 1H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)(C(=O)Nc1ccc(C(=O)c2ccccc2)cc1Br)C(F)(F)F
ir: 4 15 10 3 2 7 2 4 4 5 4 3 2 2 1 0 2 1 1 6 2 2 1 2 1 2 1 2 3 6 4 5 4 25 17 15 47 33 6 9 17 92 25 34 7 4 4 18 5 2 2 0 1 2 6 10 16 21 2 1 0 2 1 2 1 5 1 3 9 7 4 7 3 2 1 13 18 6 5 4 2 8 7 3 5 21 17 9 2 1 5 4 31 23 21 5 10 4 1 16 10 2 1 3 5 7 5 2 2 3 0 1 1 1 2 10 63 8 5 7 2 3 3 3 5 4 13 3 3 11 5 4 3 5 22 11 3 1 1 3 37 20 6 7 15 11 55 5 2 4 16 26 33 18 12 1 1 1 1 1 3 1 3 4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 2 4 4 1 14 8 21 75 27 16 4 2 1 1 11 100 35 1 1 2 1 1 2 1 2 2 2 1 4 12 35 20 19 11 8 3 7 2 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 80 80 d 1H J 20 | 78 78 m 2H | 78 77 m 2H | 76 75 m 1H | 75 75 ddt 2H J 14 65 82 | 42 42 q 1H J 33 | 16 16 q 3H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(Cc2cncnc2)C(=O)NCc2ccc(Br)cc21
ir: 1 1 2 2 1 1 2 3 3 1 1 1 1 1 1 3 6 14 4 4 5 3 3 4 4 8 9 2 2 3 5 3 12 40 100 90 50 8 4 5 2 1 1 2 1 4 5 1 2 2 11 3 4 4 2 3 5 2 1 1 1 0 1 7 3 1 5 6 7 8 1 2 1 0 1 1 2 1 1 1 7 2 4 7 3 2 1 2 4 2 3 6 7 7 4 1 1 1 1 1 0 0 1 0 1 2 1 1 1 2 4 36 14 15 14 4 1 4 3 12 4 3 8 4 4 5 4 2 7 5 42 14 4 3 1 1 1 1 1 1 1 1 2 1 1 1 3 11 15 4 4 5 17 27 22 25 7 1 32 18 2 2 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 8 2 6 15 17 4 2 3 2 1 1 1 1 0 0 1 0 1 2 2 2 2 1 1 1 3 4 23 26 11 13 7 5 3 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 91 90 t 1H J 16 | 85 84 dt 2H J 9 16 | 75 75 d 1H J 22 | 74 74 dd 1H J 22 77 | 72 71 dt 1H J 9 77 | 61 60 t 1H J 45 | 46 45 m 2H | 36 35 dt 1H J 9 170 | 33 33 dt 1H J 9 170 | 16 15 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)cnc1Cl
ir: 1 2 2 2 2 3 2 3 3 4 5 4 3 6 5 3 6 9 8 8 5 7 10 9 6 6 3 4 7 7 3 1 1 2 3 1 2 5 5 7 7 11 37 17 21 7 20 19 10 7 5 4 4 1 2 1 11 12 6 2 2 2 1 1 1 2 2 2 3 3 9 5 3 4 6 3 2 2 7 7 3 2 1 1 3 3 1 3 4 3 2 11 9 5 13 28 2 3 4 1 2 1 1 1 3 1 2 7 12 30 15 6 7 4 4 4 3 2 2 1 4 2 2 5 6 10 6 18 16 4 3 3 11 18 6 2 3 1 3 2 1 1 4 2 5 30 19 20 33 3 3 3 1 3 23 11 3 0 1 2 2 2 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 1 2 2 3 3 3 3 3 1 3 4 15 4 5 5 8 1 6 35 100 19 9 2 1 2 1 0 1 1 1 3 2 2 22 27 14 5 14 15 15 8 3 2 3 2 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1; 1HNMR: 82 82 dt 1H J 9 17 | 82 81 m 2H | 39 38 m 3H | 33 32 d 2H J 62 | 30 30 m 1H | 29 29 q 2H J 56 | 28 28 tt 2H J 9 86 | 27 27 td 2H J 49 56 | 21 18 m 7H | 18 17 dt 3H J 57 130 | 16 15 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CC(=O)Nc1cc(Cl)c2[nH]ncc2c1
ir: 0 1 2 1 4 5 14 4 9 6 3 5 6 12 12 12 6 4 3 2 10 6 3 1 4 2 2 3 2 7 7 57 13 22 7 23 7 7 5 5 5 53 28 3 1 5 6 5 4 6 3 1 3 4 2 2 3 2 2 1 2 2 1 2 1 4 4 61 32 12 3 2 2 3 1 0 1 1 1 0 1 1 1 1 1 19 4 4 2 1 1 1 2 1 2 2 1 2 6 8 15 56 22 9 8 8 17 3 1 3 48 11 12 6 1 4 3 6 3 2 2 6 4 5 5 35 42 22 14 3 6 10 2 1 0 3 4 2 4 10 24 25 25 20 7 26 100 63 20 17 88 4 2 8 4 25 5 8 18 2 3 1 1 26 4 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 4 2 1 1 3 2 4 3 3 2 2 2 3 8 11 24 12 6 24 22 16 5 3 2 5 2 1 2 2 2 1 2 2 1 1 2 11 4 5 7 19 70 76 32 27 40 16 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 98 97 s 1H | 83 82 d 1H J 16 | 78 78 t 1H J 19 | 77 76 d 1H J 22 | 37 36 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)Nc2cccc(C(=O)O)c2)c(C)c1
ir: 4 1 1 1 1 4 1 1 1 1 4 28 1 2 5 6 12 15 9 4 1 60 13 6 8 6 3 3 4 3 8 6 6 4 1 7 1 2 4 8 12 7 22 10 25 6 25 21 41 34 3 4 1 2 2 1 2 4 2 2 1 3 2 2 1 2 2 18 8 5 10 2 5 6 4 5 17 9 48 14 10 2 3 2 11 3 2 3 1 1 2 0 1 2 6 2 7 5 11 2 1 2 2 11 19 11 6 8 3 2 1 2 3 1 1 3 3 20 5 1 1 2 2 2 7 4 6 3 2 2 2 1 2 5 2 11 1 10 3 1 1 1 2 4 6 20 100 32 8 9 42 18 11 12 40 42 33 62 6 4 4 1 1 1 3 3 1 0 1 1 1 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 2 1 0 1 2 3 0 2 5 4 10 21 48 28 15 3 0 4 1 3 2 18 21 2 4 2 2 3 1 2 3 2 3 3 9 30 66 67 29 4 3 1 1 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 s 1H | 82 82 m 1H | 81 81 t 1H J 22 | 80 79 m 1H | 79 79 m 1H | 78 78 dddd 2H J 13 22 34 81 | 78 77 dt 1H J 16 79 | 76 75 ddd 1H J 15 68 84 | 75 74 t 1H J 80 | 74 74 ddd 1H J 15 70 82 | 68 68 s 2H | 23 23 s 3H | 22 22 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@@H]2CC(Cc3cccnc3)C(=O)N(C(=O)OC(C)(C)C)C2)cc1OC1CCCC1
ir: 3 2 10 16 9 11 7 6 3 4 7 9 30 14 2 6 9 6 7 5 4 4 5 9 9 9 14 8 5 3 11 12 11 90 30 9 7 8 39 17 12 15 6 6 2 5 21 3 5 9 8 8 10 6 48 100 23 1 4 8 5 11 15 60 16 12 16 11 8 6 19 2 5 7 8 7 3 5 5 9 4 2 1 1 2 2 4 7 6 3 7 9 9 7 6 6 3 8 26 4 21 17 3 13 5 10 9 9 13 10 0 8 21 8 9 7 8 3 8 10 8 12 9 57 8 19 12 13 8 26 24 19 7 9 3 7 9 25 15 59 20 4 1 7 5 4 17 19 6 21 7 8 18 57 27 5 2 3 13 7 2 1 4 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 1 1 0 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 4 3 2 6 10 7 7 5 9 5 10 13 34 49 31 24 67 42 15 12 2 4 2 2 3 2 1 1 1 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 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 0 0 1 1 0 0 1 1 0 1 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 m 2H | 75 74 ddq 1H J 10 19 79 | 72 71 dd 1H J 43 80 | 69 68 d 1H J 86 | 68 67 m 2H | 48 48 p 1H J 37 | 41 40 dd 1H J 35 121 | 39 38 m 4H | 36 35 tt 1H J 76 84 | 32 31 m 2H | 29 29 ddt 1H J 9 84 148 | 22 21 ddd 1H J 58 77 135 | 20 19 m 3H | 19 18 m 3H | 17 16 m 2H | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(CCCCCC(O)CCCCCC1(C(=O)O)CC1)C(=O)O
ir: 1 0 0 1 1 0 1 1 2 3 3 1 2 2 1 5 12 2 4 7 1 37 100 24 10 8 2 2 1 0 2 2 1 0 1 2 1 1 1 2 1 2 2 1 2 1 1 0 0 0 0 0 0 1 1 1 0 1 1 1 0 0 0 1 2 1 0 1 1 1 1 0 1 1 2 5 11 21 40 6 5 1 3 3 8 8 6 11 16 3 2 1 1 2 2 1 2 3 1 1 0 1 0 0 1 1 2 3 1 2 2 1 1 1 2 2 2 1 2 3 1 2 4 1 2 4 2 1 2 1 2 1 0 0 1 0 1 1 1 1 1 2 2 3 10 14 5 2 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 3 2 3 2 1 1 1 1 1 2 2 1 3 4 23 25 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 38 37 pd 1H J 56 64 | 25 24 d 1H J 55 | 18 17 t 2H J 71 | 17 16 t 2H J 77 | 16 15 dtd 2H J 65 91 132 | 15 12 m 17H | 12 12 s 5H | 12 11 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnc2ncc(NC(=O)CCl)cc2c1Nc1cccc(Br)c1
ir: 2 3 3 2 2 1 2 1 1 7 6 4 3 5 1 2 3 8 6 5 4 5 3 6 12 4 11 4 5 9 6 12 7 8 8 7 2 2 2 3 3 2 3 3 8 5 12 29 4 6 4 10 66 13 6 1 7 7 3 1 2 2 1 1 1 1 1 1 3 8 5 4 9 2 2 2 2 2 1 1 1 1 2 2 2 2 14 2 8 3 1 1 1 1 1 1 1 2 1 2 1 6 33 2 5 5 14 8 5 3 2 2 1 8 8 2 2 2 1 1 1 1 1 1 3 4 4 7 7 5 1 2 1 1 1 8 1 2 8 9 6 5 5 5 4 3 26 1 5 20 5 8 26 3 2 17 15 2 5 100 4 10 36 9 2 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 12 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 2 3 6 4 14 19 11 11 3 2 1 3 3 2 1 2 1 1 2 2 1 1 2 2 3 4 11 17 20 75 22 11 3 5 2 3 3 2 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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: 96 96 s 1H | 93 93 d 1H J 16 | 92 92 s 1H | 88 88 d 1H J 18 | 85 85 s 1H | 73 72 m 2H | 71 71 t 1H J 15 | 71 70 m 1H | 42 42 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(N2CCN(C(=O)c3cc(Br)ccc3N3CCOCC3)CC2)c(F)c1
ir: 7 5 4 3 9 3 3 4 7 4 10 9 4 3 2 8 2 3 8 3 5 11 14 10 2 3 4 7 31 8 6 9 7 9 8 33 27 11 28 10 15 9 7 4 3 4 6 0 2 5 21 1 3 25 22 24 5 7 15 8 4 4 7 4 9 21 57 30 17 10 9 5 6 49 3 4 3 3 3 2 2 6 9 10 15 6 10 28 11 7 7 9 7 6 22 9 4 56 23 3 8 5 9 10 8 10 8 5 6 5 1 8 12 8 4 10 14 14 28 13 8 9 6 14 22 54 44 11 3 5 9 9 5 3 3 17 19 5 4 5 5 7 42 56 77 20 17 27 24 51 18 55 4 9 6 2 2 3 2 2 3 13 4 10 3 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 3 3 2 5 5 7 6 10 3 6 3 6 11 18 35 29 57 100 77 24 8 6 4 3 2 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 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 79 79 d 1H J 25 | 77 76 dd 1H J 21 88 | 76 75 dd 1H J 21 121 | 74 74 dd 1H J 26 90 | 70 69 m 2H | 38 38 m 4H | 37 36 m 4H | 34 33 m 4H | 32 32 m 4H | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)OC(=O)NC(=O)C1(C)CC1
ir: 5 3 7 11 6 2 1 4 9 3 4 5 4 2 0 3 3 1 8 7 2 1 1 2 2 1 1 2 2 1 8 9 3 1 4 15 5 2 5 7 4 5 7 7 3 1 2 5 5 1 6 13 12 7 90 37 4 5 4 3 2 1 2 4 5 7 3 4 3 2 3 3 3 6 16 10 14 6 5 4 2 1 2 2 1 1 2 4 3 3 3 2 2 5 3 2 1 1 2 1 1 1 3 4 1 1 3 2 1 2 4 10 4 2 4 3 1 3 4 1 0 2 3 2 1 2 4 4 3 5 4 4 6 4 3 1 1 2 3 1 1 3 3 1 2 7 8 3 21 95 35 100 21 7 4 5 9 10 9 5 4 4 2 2 2 2 1 1 1 2 1 1 2 3 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 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 2 2 2 1 2 3 2 1 3 4 10 6 5 13 6 3 4 3 2 4 14 14 25 10 3 3 3 2 3 3 2 1 2 2 2 2 3 4 4 5 11 98 62 6 2 3 4 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 s 1H | 47 47 dq 1H J 14 27 | 46 46 dq 1H J 9 26 | 20 19 dd 3H J 7 14 | 14 13 m 2H | 12 11 m 2H | 11 11 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1cc(OC(F)(F)F)ccc1OCc1ccc(Br)cc1
ir: 4 2 2 2 2 8 5 2 4 5 5 8 7 3 3 3 2 1 1 5 7 1 1 1 1 0 0 2 7 3 1 1 2 1 2 3 4 0 0 2 2 1 0 1 1 2 1 2 3 1 3 10 45 11 100 20 16 19 6 2 2 3 2 1 3 6 3 11 50 4 2 0 1 2 1 1 2 1 0 0 1 1 0 1 5 10 9 2 4 4 6 5 33 8 1 4 6 95 44 59 65 32 15 7 1 1 2 1 1 5 7 2 0 1 2 1 3 4 1 3 2 3 3 6 1 3 3 2 3 3 1 0 0 0 0 1 1 0 0 1 2 0 14 9 2 19 11 3 5 7 18 3 8 8 3 2 0 1 0 0 0 1 1 0 0 1 1 0 1 1 0 0 1 0 0 1 1 1 1 21 1 1 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 1 1 1 2 1 1 1 1 2 2 2 6 14 7 18 57 35 21 7 4 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 74 dt 2H J 9 81 | 72 71 m 2H | 68 68 d 1H J 79 | 51 51 t 2H J 9 | 38 38 d 1H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1N=C(Cl)C(N)=C(Cl)N1c1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]
ir: 6 11 18 14 3 8 12 6 3 14 5 2 4 9 3 2 1 3 3 2 2 2 1 3 2 3 3 2 1 1 1 1 2 1 1 1 2 1 2 2 2 1 1 3 4 4 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 5 2 2 2 4 4 2 5 2 1 1 0 1 2 5 1 1 1 1 1 2 27 5 1 1 2 20 4 2 2 1 1 26 1 1 1 1 1 2 2 2 1 5 2 1 1 2 1 1 1 1 9 2 1 2 2 2 1 1 1 2 3 3 1 1 1 0 0 1 1 0 0 3 4 1 1 65 19 3 16 6 1 4 32 2 2 2 20 3 13 5 7 9 3 2 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 5 6 3 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 4 23 1 1 1 0 0 1 1 0 0 3 13 100 5 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 85 q 1H J 21 | 58 57 q 1H J 79 | 36 36 s 2H | 16 15 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1
ir: 2 2 3 1 2 3 1 3 2 3 4 4 6 2 7 8 0 2 3 1 1 2 5 3 3 1 2 1 2 2 1 1 1 2 1 5 5 20 19 14 4 3 4 2 3 4 3 8 9 1 2 0 1 1 3 3 2 3 2 1 1 2 1 1 4 14 6 6 5 5 1 2 2 2 2 1 1 1 1 1 1 4 2 1 4 2 1 3 8 2 1 1 2 3 4 1 1 0 1 1 1 0 1 1 2 8 5 2 2 1 2 1 1 1 1 1 1 3 5 5 3 1 3 2 4 5 1 1 1 4 1 1 1 5 1 1 1 3 7 5 5 3 6 9 7 11 5 35 35 15 2 3 3 1 6 6 6 2 1 2 18 4 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 3 22 14 9 2 1 2 1 3 1 1 1 1 1 1 1 1 1 2 4 12 16 3 3 3 6 13 12 3 3 1 3 12 100 3 1 0 1 1 0 1 1 1 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 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; 1HNMR: 78 77 m 2H | 77 76 dd 1H J 12 87 | 76 75 dd 1H J 12 80 | 74 73 m 3H | 65 64 s 1H | 59 59 s 2H | 58 57 t 1H J 45 | 34 34 td 2H J 45 61 | 33 32 s 2H | 29 29 tt 2H J 8 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H]1C(=O)N(C)c2cnc(-c3ccncc3CNC(=O)OC(C)(C)C)nc2N1C1CCCC1
ir: 7 15 9 10 2 2 1 4 5 3 4 2 3 7 4 17 3 2 9 8 9 9 6 8 4 2 5 8 11 15 18 9 3 9 10 9 26 19 23 5 33 11 4 2 5 4 5 15 5 3 2 2 2 2 4 6 4 2 3 1 3 1 2 1 2 2 1 1 2 3 1 1 4 14 9 3 3 1 1 1 1 2 2 2 2 5 1 1 3 2 3 2 5 9 5 3 9 2 3 6 3 2 3 3 6 4 1 4 3 5 5 7 54 21 3 9 7 4 6 10 15 12 5 11 9 7 12 7 28 10 17 9 9 3 11 11 8 8 3 2 2 14 46 33 66 34 12 3 33 100 19 6 15 12 2 3 2 0 3 16 6 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 2 1 3 1 2 2 1 1 1 2 3 3 16 22 5 4 15 10 3 1 1 0 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 2 6 11 20 26 18 3 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; 1HNMR: 87 87 dd 1H J 14 56 | 86 86 m 2H | 78 78 d 1H J 57 | 62 62 t 1H J 65 | 44 43 m 3H | 43 42 p 1H J 54 | 34 34 s 3H | 23 22 m 2H | 22 20 dp 1H J 75 119 | 20 19 dtd 1H J 20 36 81 | 20 19 m 1H | 19 18 m 1H | 18 17 m 2H | 17 16 m 2H | 14 14 s 8H | 10 10 td 3H J 15 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1
ir: 3 3 2 13 5 4 3 2 2 2 2 2 2 10 3 2 2 2 2 5 6 10 2 2 2 2 2 2 1 2 2 8 2 2 4 6 2 2 1 1 2 2 2 1 1 2 2 1 2 2 2 2 3 4 11 22 19 6 3 3 2 2 3 2 5 2 2 2 4 2 2 8 3 2 2 2 2 2 2 2 2 5 2 2 2 4 2 5 3 2 2 1 2 2 3 9 4 2 4 7 7 2 1 2 2 2 4 2 3 2 0 6 100 5 6 6 27 19 15 5 3 2 3 2 13 12 7 3 3 2 2 2 1 2 2 2 1 2 2 3 11 6 3 2 2 15 39 16 9 6 2 3 7 2 2 2 2 1 2 2 2 2 1 1 4 2 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 2 1 2 2 2 2 2 2 2 2 2 2 3 4 11 16 34 24 16 5 5 3 3 3 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 79 79 m 2H | 78 78 m 2H | 77 76 dq 2H J 14 110 | 76 75 m 1H | 39 39 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1cc(Cl)ccc1SCc1ccccc1)c1cc2ccccc2o1
ir: 5 3 2 2 5 3 13 11 17 23 17 15 20 34 23 11 4 5 7 6 5 8 6 6 9 6 4 4 9 5 10 6 12 11 19 16 59 17 14 16 12 34 42 35 42 23 7 12 6 12 12 14 15 3 31 9 5 2 2 2 3 3 3 7 14 27 14 27 36 45 8 6 5 2 6 2 3 10 8 2 2 2 5 4 14 36 53 14 11 11 5 9 17 12 5 1 20 10 9 38 6 4 5 4 2 1 1 1 4 4 9 13 23 36 33 9 7 6 11 8 2 8 19 21 7 3 3 1 2 2 3 2 1 3 9 14 25 19 3 3 9 25 50 2 3 13 4 0 13 6 5 19 25 20 3 2 2 1 1 3 17 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 2 1 2 3 4 7 16 18 31 92 82 14 28 7 4 7 2 1 4 2 2 1 2 1 1 1 2 2 1 1 2 4 4 1 6 10 76 100 10 3 5 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 97 97 s 1H | 77 77 m 1H | 75 74 dd 2H J 19 76 | 74 73 m 7H | 73 72 m 3H | 71 71 dd 1H J 21 80 | 40 40 d 2H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=NCC(F)(F)F)Nc1ccnc(SCCCNC=O)n1
ir: 3 2 2 4 4 3 1 2 5 4 7 4 13 2 3 3 4 3 4 5 7 16 12 7 9 3 5 12 15 11 11 9 13 11 22 22 45 34 27 13 12 0 4 6 23 28 31 8 9 11 3 6 5 3 5 2 3 3 7 12 4 5 5 7 5 5 3 3 4 10 20 12 10 13 8 3 4 3 7 6 4 5 5 3 3 1 1 1 1 6 5 4 2 1 1 1 1 1 1 2 4 20 32 5 5 13 3 3 2 6 5 4 7 6 6 16 6 7 5 5 5 5 4 2 1 3 5 4 6 12 15 18 11 5 6 13 11 13 13 25 14 19 12 19 8 18 53 40 35 27 13 50 100 20 14 31 5 10 45 10 5 3 2 1 1 2 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 6 3 2 2 2 1 1 2 2 12 7 4 4 16 6 4 2 1 2 2 1 1 1 2 1 1 2 2 2 5 12 25 48 13 15 13 48 29 58 71 13 22 78 47 12 8 1 1 4 3 0 1 3 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 88 87 s 1H | 83 83 dt 1H J 9 60 | 83 82 d 1H J 38 | 71 71 d 1H J 38 | 66 66 s 2H | 64 64 dt 1H J 44 60 | 41 40 q 2H J 119 | 33 33 tdd 2H J 9 43 52 | 32 31 t 2H J 74 | 20 19 tt 2H J 51 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1OC(C)=O
ir: 1 4 4 7 7 7 7 9 8 4 8 9 3 7 15 5 10 10 6 3 5 6 8 10 8 5 4 8 4 4 5 2 3 2 4 3 5 8 12 8 15 5 3 3 2 11 4 2 2 3 7 3 3 1 2 0 7 15 2 1 2 3 3 1 2 5 5 3 2 2 3 4 3 5 2 4 6 3 6 8 7 4 2 2 3 2 3 5 44 17 5 6 14 2 2 3 3 2 2 5 8 8 4 5 3 3 2 3 3 2 4 3 4 2 2 6 9 4 5 12 10 10 4 11 6 4 3 3 3 5 4 3 2 2 2 2 3 2 2 2 2 2 2 5 45 14 2 3 12 39 15 23 4 3 2 4 78 6 2 2 2 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 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 2 2 3 2 3 4 4 7 8 3 3 2 2 4 2 2 1 3 11 2 2 2 2 2 2 2 2 1 2 16 25 3 2 2 2 1 2 2 2 2 2 7 100 4 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 s 1H | 82 82 s 1H | 70 70 s 2H | 62 61 ddt 1H J 8 15 32 | 52 52 ddtd 1H J 7 18 45 54 | 47 46 tdd 1H J 20 35 55 | 45 44 ddd 1H J 18 40 121 | 45 44 d 1H J 57 | 44 43 m 1H | 43 42 ddd 1H J 18 40 122 | 21 20 d 6H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC(=O)c1c[nH]nc1COC(C)(C)C
ir: 1 1 1 1 3 1 1 0 0 1 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 2 6 2 1 1 1 1 0 0 1 1 0 11 100 3 1 1 1 1 1 1 0 0 1 0 0 1 3 1 3 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 2 1 1 1 1 14 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 1 1 1 0 1 3 1 2 4 3 1 1 1 0 0 0 1 1 0 3 1 2 1 1 5 10 3 1 2 1 1 11 1 0 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 2 3 4 1 1 0 1 0 3 3 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 7 13 4 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; 1HNMR: 96 96 d 1H J 38 | 80 80 d 1H J 38 | 77 76 d 1H J 79 | 51 51 s 2H | 41 40 dp 1H J 55 77 | 13 12 s 8H | 12 12 d 7H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)COCc1cc(F)c(OCc2ccccc2)c(F)c1
ir: 15 7 9 14 11 6 7 7 11 8 5 8 6 2 2 3 9 2 2 1 2 3 5 21 17 10 10 17 12 7 11 33 9 6 5 3 6 5 8 11 91 10 6 2 6 11 13 3 3 4 2 0 2 5 2 2 3 4 2 2 6 17 5 9 14 25 29 80 45 20 7 2 7 13 13 17 6 7 8 3 2 1 1 2 2 2 1 1 10 30 18 6 9 10 3 4 2 10 16 6 4 9 6 2 2 1 1 2 13 3 2 3 5 6 9 4 5 3 2 6 13 9 14 8 3 4 6 6 20 12 5 7 2 5 6 9 4 2 3 2 2 2 11 25 48 15 5 3 2 1 1 11 2 1 2 6 1 1 1 0 31 1 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 4 4 2 2 4 3 5 4 4 2 2 2 5 4 12 21 18 23 100 40 18 13 9 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 5H | 70 70 dq 2H J 9 115 | 51 51 d 2H J 9 | 46 46 t 2H J 8 | 42 42 q 2H J 66 | 42 41 s 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccnc(C(C)=O)c1
ir: 8 3 3 2 1 2 3 2 1 4 8 26 29 13 2 2 2 3 3 2 14 13 1 2 3 7 6 2 2 2 2 3 3 6 28 4 5 3 2 2 2 2 2 2 2 5 5 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 8 2 8 35 24 7 2 2 2 4 11 5 2 3 1 2 4 5 4 4 3 3 3 17 39 4 1 3 3 2 1 2 3 2 2 5 4 4 1 2 3 2 2 2 4 4 1 5 5 10 9 8 6 13 9 9 15 7 3 3 2 4 26 18 4 5 20 19 8 3 1 3 2 2 1 3 3 2 3 7 18 4 3 3 2 3 1 3 6 3 1 3 4 0 8 100 9 4 3 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 3 3 3 2 1 2 3 2 3 4 3 6 7 55 14 12 41 34 11 5 5 5 3 3 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2; 1HNMR: 86 86 d 1H J 40 | 80 80 d 1H J 22 | 70 69 dd 1H J 21 41 | 26 26 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(F)cc1)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
ir: 1 2 2 1 1 4 7 3 5 8 22 11 3 3 12 40 15 1 3 5 11 3 5 10 14 4 9 4 2 3 19 8 3 6 8 4 23 22 6 16 20 38 51 89 20 8 4 8 5 4 6 10 20 16 29 100 54 5 8 6 3 1 3 4 2 1 2 2 13 6 3 4 1 2 2 2 1 0 3 3 1 1 2 2 1 3 11 6 3 3 4 8 2 4 5 3 29 3 5 8 2 27 12 8 72 35 4 2 7 12 3 3 2 1 2 1 1 2 2 2 2 2 5 12 10 8 14 20 27 2 2 1 2 2 3 27 9 2 2 1 3 5 5 7 32 3 2 9 13 44 17 44 23 20 9 19 90 37 6 1 1 3 8 2 6 5 2 1 1 2 1 0 1 2 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 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 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 6 34 52 68 30 15 12 9 5 5 3 3 3 3 4 4 2 2 3 2 2 3 2 10 7 25 30 73 63 61 50 11 2 1 3 2 1 1 2 1 0 1 2 1 0 1 2 2 3 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 85 d 2H J 48 | 81 80 d 1H J 23 | 77 77 m 2H | 76 76 dd 1H J 21 78 | 76 75 d 1H J 78 | 74 73 m 2H | 72 71 ddt 2H J 17 90 103 | 70 69 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=S)c1cc(-c2nc(-c3cc(C(C)(C)C)oc3C)cs2)c(C)s1
ir: 2 2 3 3 7 3 5 3 8 4 7 7 5 7 5 5 4 2 3 5 3 4 7 3 2 2 5 14 2 4 3 4 4 3 8 7 2 2 2 2 3 3 6 5 11 8 78 18 3 3 4 0 16 15 18 16 16 7 3 11 7 20 17 7 7 6 5 5 5 6 3 8 14 18 23 26 12 14 6 5 9 24 36 20 21 6 9 11 7 10 4 4 5 7 64 35 22 10 10 13 4 5 6 9 15 5 9 11 7 14 11 9 10 11 6 16 13 9 16 15 16 19 12 9 9 7 25 31 35 75 75 33 10 20 69 61 13 15 7 13 7 4 3 7 3 2 2 3 5 19 13 9 5 4 3 3 2 3 2 2 2 2 2 2 2 5 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 3 2 3 3 2 3 9 21 25 9 9 8 10 8 6 11 10 8 10 44 27 100 56 42 42 27 9 11 10 11 36 21 6 6 3 3 2 2 2 2 2 2 2 2 2 2 2 2 4 8 6 41 52 5 7 4 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 1 1 2 2 1 2 2 1 1; 1HNMR: 78 77 s 1H | 76 76 s 1H | 64 64 s 1H | 40 40 s 3H | 25 25 s 3H | 24 24 s 3H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c(=O)[nH]c1C(=O)c1ccc(N(C)C)cc1
ir: 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 9 5 15 9 1 1 7 2 1 1 1 1 1 1 1 2 2 6 1 1 3 5 24 100 11 5 13 6 1 2 2 1 4 12 4 3 3 12 41 4 0 2 2 1 1 1 2 2 3 8 5 3 1 2 2 2 1 2 3 2 1 1 2 1 1 2 2 2 2 1 2 1 3 7 18 7 12 3 2 3 3 2 1 1 1 1 1 1 1 2 1 4 6 3 2 1 15 6 5 2 3 7 7 4 9 6 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 6 3 1 2 2 1 2 2 8 5 3 3 14 22 20 3 2 2 1 1 1 2 6 70 26 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2 2 4 3 11 25 7 3 2 1 2 1 1 1 1 2 1 0 1 1 1 1 2 2 1 2 12 7 19 94 13 4 3 2 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 83 83 s 1H | 78 77 m 2H | 69 69 m 2H | 29 29 s 5H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1
ir: 0 0 0 1 0 1 1 1 1 4 2 2 2 3 5 4 2 2 1 1 1 3 1 8 6 4 3 1 1 1 1 1 9 3 2 0 1 1 6 1 1 1 3 1 1 2 1 0 0 2 15 4 3 7 12 92 3 1 5 11 3 0 24 44 10 2 4 8 18 9 33 56 3 9 4 1 3 7 12 3 1 2 5 6 1 1 1 5 5 5 17 5 8 4 2 6 3 3 5 2 13 3 2 3 4 7 21 4 1 1 1 1 1 1 2 14 2 2 8 6 12 10 23 5 4 4 18 10 5 14 3 1 2 3 1 0 0 1 1 1 5 4 1 0 1 1 1 1 1 9 30 10 5 29 37 24 2 1 0 1 1 32 1 0 1 1 1 0 1 3 0 1 4 3 1 11 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 3 2 1 1 2 2 2 1 1 2 4 19 11 24 57 100 66 40 15 6 4 4 2 1 1 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 22 46 | 88 87 d 1H J 80 | 86 86 m 2H | 82 82 dd 1H J 22 73 | 78 77 dd 1H J 45 74 | 77 77 dt 1H J 8 78 | 76 76 s 1H | 76 75 m 2H | 75 74 m 2H | 70 70 m 2H | 53 52 d 2H J 10 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(N3CCC(C(O)CN4CCC(C)NS4(=O)=O)CC3)c2cc1OC
ir: 5 4 3 3 6 4 8 6 15 5 6 3 6 4 4 6 3 3 3 5 10 3 2 3 9 9 5 2 4 1 3 2 1 2 5 4 4 9 8 2 5 1 2 3 2 3 1 4 5 26 9 5 3 6 10 22 12 3 4 5 2 5 5 4 4 1 3 5 13 21 8 4 9 4 3 3 9 4 6 3 9 6 3 4 4 3 5 10 21 43 12 9 13 11 6 12 8 5 11 15 52 38 4 3 6 6 6 3 6 3 4 2 4 3 2 3 2 6 1 2 4 6 3 2 4 3 6 3 2 2 1 3 4 4 3 3 2 3 3 2 1 3 19 7 7 3 2 1 1 1 1 1 0 2 2 8 25 44 4 2 1 1 1 1 1 2 2 19 1 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 3 1 2 2 2 2 1 2 4 13 4 2 7 6 4 2 2 3 4 5 1 1 1 1 0 1 2 2 1 2 4 1 3 25 100 10 7 2 1 2 2 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 84 83 s 1H | 74 74 s 1H | 72 71 s 1H | 56 56 d 1H J 86 | 39 39 s 2H | 39 38 s 2H | 38 37 m 3H | 36 35 dqt 1H J 52 64 86 | 34 33 m 4H | 33 32 ddd 1H J 66 93 134 | 32 31 d 1H J 57 | 31 31 dd 1H J 59 134 | 20 18 m 5H | 17 16 m 3H | 12 11 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2Br)CC1
ir: 14 15 16 31 19 21 22 13 7 7 15 10 1 2 3 4 6 3 2 2 2 2 3 1 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 1 5 1 2 2 1 1 1 2 2 0 2 3 2 9 17 16 3 0 3 2 2 1 3 3 1 0 6 10 2 3 1 2 1 1 2 2 1 2 2 42 22 4 3 3 2 1 2 2 1 3 3 1 1 1 1 2 1 2 6 2 1 1 2 2 1 2 4 17 5 4 5 2 1 6 3 3 4 2 5 7 9 6 9 4 2 2 2 3 4 6 6 10 3 2 2 2 3 4 4 1 4 2 1 1 1 1 2 2 2 3 9 82 11 9 8 16 31 4 2 2 1 4 34 1 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 2 3 1 2 4 2 2 2 4 19 1 5 18 6 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 29 4 1 1 1 1 1 1 1 1 3 24 100 7 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 69 69 d 1H J 20 | 68 67 d 1H J 84 | 67 67 dd 1H J 21 85 | 46 45 p 1H J 45 | 41 40 s 2H | 37 36 ddd 2H J 59 86 124 | 34 33 ddd 2H J 59 86 124 | 23 22 dddd 2H J 44 59 86 130 | 21 20 dddd 2H J 45 59 86 131 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(N2CCCCC2=O)cc(C(C)(C)C)c1O
ir: 9 5 4 4 5 5 6 8 9 9 5 9 7 2 1 4 5 2 1 5 5 6 7 8 13 12 8 8 9 9 6 5 6 3 6 5 7 2 3 5 8 13 8 6 5 2 14 9 6 3 6 10 3 0 6 5 4 2 3 4 5 7 6 3 8 17 16 18 5 7 7 5 4 2 8 9 4 3 7 11 21 20 11 51 5 4 16 9 3 3 8 4 3 4 6 8 1 2 6 7 8 10 10 3 0 7 6 5 1 3 8 6 3 11 10 6 10 12 10 9 4 8 11 8 7 5 8 5 6 7 7 4 4 7 10 10 6 4 5 3 3 10 20 5 2 5 7 11 38 80 14 7 2 4 3 1 2 4 3 1 2 6 3 0 3 13 9 8 3 5 3 1 2 4 2 1 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 1 1 3 2 0 1 3 2 0 1 3 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 2 3 1 1 3 3 1 1 3 3 1 2 4 3 3 3 3 3 2 2 5 4 4 6 4 4 2 5 6 5 2 4 5 3 4 5 7 35 16 8 14 15 6 5 5 4 1 11 100 84 6 5 3 2 1 2 4 2 1 3 3 2 1 2 2 1 1 3 2 1 1 3 3 1 1 3 2 1 2 3 3 2 2 4 3 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0; 1HNMR: 71 70 s 2H | 65 64 s 1H | 40 40 dt 1H J 48 126 | 37 36 dt 1H J 48 126 | 25 25 m 2H | 19 17 m 5H | 14 14 s 16H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCC(C(=O)O)S(=O)c1ccccc1
ir: 5 5 3 3 1 3 4 2 1 10 18 9 16 3 6 6 17 11 8 4 9 27 100 21 12 4 8 4 6 4 4 6 4 3 3 1 2 6 7 23 12 16 6 1 1 3 2 0 1 2 2 1 1 2 2 1 2 2 1 2 3 5 2 3 4 5 5 5 6 5 2 1 3 10 3 1 7 52 25 32 6 5 3 6 3 3 3 4 3 3 1 3 4 4 5 2 6 4 1 1 3 2 1 7 9 11 11 6 5 2 1 2 2 3 3 6 5 9 5 12 13 12 8 11 5 5 5 3 2 2 1 2 4 4 14 5 4 2 1 4 3 5 61 14 36 4 3 2 2 1 3 1 2 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 1 3 3 4 6 3 2 6 4 6 4 7 23 6 6 23 17 41 5 2 0 2 3 1 3 28 41 32 2 2 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 76 m 2H | 75 75 m 2H | 74 73 tt 1H J 14 68 | 35 34 t 1H J 78 | 22 21 dq 1H J 81 134 | 19 18 dq 1H J 81 133 | 16 15 m 1H | 15 14 dddd 1H J 72 81 134 153 | 13 12 m 8H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)c1ccc(N2CCC(OC)=C(C#N)C2=O)cc1
ir: 8 9 9 6 7 6 7 5 7 7 6 6 7 5 4 8 6 5 7 9 13 7 6 6 12 8 7 6 5 4 4 4 5 5 5 5 4 4 3 3 4 4 4 3 4 6 5 0 29 8 15 7 9 9 31 34 12 16 12 7 4 4 7 19 12 16 8 6 5 5 10 16 6 8 5 5 5 5 7 6 5 4 4 6 6 8 5 5 5 4 4 4 4 3 3 6 3 4 5 4 4 5 8 8 3 4 5 3 3 10 12 14 6 5 6 11 6 10 26 6 9 9 8 6 3 6 5 9 13 7 5 7 9 6 4 4 7 5 4 4 6 19 8 7 25 54 6 3 4 8 56 24 13 10 7 12 22 17 5 3 3 4 3 4 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 4 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 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 4 3 3 3 3 3 4 4 4 5 4 5 4 3 4 5 4 6 7 12 49 13 14 100 12 7 5 6 4 3 4 5 4 3 3 4 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 73 73 m 2H | 73 72 m 2H | 41 40 m 2H | 38 37 s 3H | 37 37 s 3H | 26 25 m 2H | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(-c4cc(C(F)(F)F)n(C)n4)s3)CC2)c1
ir: 3 5 6 3 0 6 1 1 0 1 2 1 1 2 9 6 4 7 2 4 3 7 3 1 5 4 7 4 3 2 7 4 3 5 2 1 7 4 18 7 8 6 4 3 4 27 25 26 9 6 1 1 7 3 3 1 2 2 3 1 4 8 2 1 1 1 2 3 10 1 4 15 25 12 13 13 8 2 5 21 3 19 10 5 5 7 14 3 5 3 6 10 3 2 1 1 4 3 23 44 5 6 2 2 6 14 14 28 6 5 4 10 18 1 3 1 1 3 2 4 1 2 2 9 3 3 3 9 4 2 82 4 2 2 11 47 5 2 0 2 3 8 11 12 25 21 35 16 4 3 2 1 3 13 5 3 8 8 2 1 1 1 21 2 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 1 3 1 1 1 1 2 1 1 1 1 3 2 4 5 4 13 16 25 46 31 8 11 4 4 1 2 5 1 1 1 1 1 1 1 1 1 1 1 2 2 7 24 100 17 8 2 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 75 75 ddd 1H J 12 21 79 | 74 74 td 1H J 6 21 | 72 72 t 1H J 78 | 71 71 d 1H J 75 | 71 70 dt 1H J 9 75 | 70 69 ddt 1H J 8 21 77 | 67 67 q 1H J 16 | 39 38 s 2H | 38 38 d 2H J 7 | 29 28 ddd 2H J 53 81 121 | 27 26 m 4H | 21 20 ddt 2H J 54 81 134 | 19 18 ddt 2H J 54 81 132 | 12 11 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(Cl)nc2c1cnn2C1CCCC1
ir: 2 1 1 1 1 1 1 1 1 1 1 1 1 2 13 2 0 1 1 0 0 1 1 2 28 3 0 1 1 1 1 1 1 0 1 1 5 1 1 2 1 0 1 2 1 1 2 100 11 6 1 0 1 2 4 0 1 3 3 1 1 1 1 1 1 1 1 0 1 1 1 2 1 1 1 0 1 1 0 0 1 1 1 1 4 3 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 2 1 1 1 1 2 3 2 2 1 2 3 1 1 2 5 6 1 1 1 1 1 2 1 1 1 2 3 9 3 4 2 3 1 1 1 1 1 1 1 1 1 2 1 2 4 1 1 2 1 1 1 1 7 5 1 1 2 3 45 6 1 1 2 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 0 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 0 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 1 1 1 1 1 1 1 1 1 1 2 1 0 5 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 6 13 3 1 1 2 1 1 1 1 1 1 1 1 1 1 0 1 0 1 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 84 84 s 1H | 48 47 p 1H J 21 | 22 21 m 2H | 19 18 m 4H | 18 17 dddt 2H J 12 55 90 103
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc2ccc(Sc3cccc(C4OCCCO4)c3)cc2cc1CC1CCOCC1
ir: 2 2 2 2 3 2 1 2 3 2 1 2 2 1 1 1 1 2 1 1 3 4 4 1 1 2 1 3 2 1 4 2 4 4 2 1 2 1 1 2 2 2 3 1 1 2 3 1 3 2 1 1 1 0 1 5 14 2 2 1 1 1 1 1 1 1 2 2 3 2 2 3 3 2 8 7 3 2 1 0 1 1 1 1 2 1 2 1 1 1 0 0 2 1 2 1 1 1 1 1 0 1 1 1 2 1 1 2 3 1 2 1 1 1 2 1 0 1 3 2 1 2 1 1 1 1 1 1 3 2 3 4 1 1 0 1 1 1 1 2 3 1 1 1 1 2 3 3 2 3 6 13 3 4 21 4 3 1 1 1 1 1 1 1 1 0 0 3 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 4 2 3 13 9 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 5 9 1 1 1 0 0 1 1 0 0 3 5 100 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 73 | 76 75 m 2H | 75 74 m 3H | 74 73 dddd 2H J 15 26 75 109 | 55 55 d 1H J 8 | 54 53 s 2H | 40 39 ddd 2H J 40 67 109 | 39 38 ddd 2H J 40 68 111 | 37 37 ddd 2H J 30 58 111 | 36 36 ddd 2H J 31 56 112 | 28 27 dd 2H J 9 79 | 23 21 dtt 1H J 40 68 148 | 19 17 m 3H | 16 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCNC(=O)c1ccc([C@@H](CCC(F)(F)F)[C@@H](O)c2ccc(Cl)cc2)cc1
ir: 7 6 9 6 24 18 12 19 18 12 9 15 22 15 16 16 18 17 19 42 34 50 22 17 16 8 12 12 5 12 9 13 47 19 11 12 25 11 18 29 37 26 22 17 15 10 7 10 9 3 5 6 4 7 18 69 26 15 8 6 7 9 8 8 4 3 4 3 4 11 11 4 3 7 5 11 10 12 26 70 22 8 17 48 19 9 13 13 24 65 16 8 27 68 11 13 10 7 9 16 8 20 11 7 4 9 14 6 5 5 10 9 12 29 18 12 7 12 11 44 27 17 19 6 9 14 27 12 5 7 9 7 4 5 4 3 2 6 5 5 11 25 37 87 45 75 53 38 14 9 10 25 18 5 5 2 2 3 2 1 2 3 2 21 2 3 2 0 2 3 1 0 1 3 2 0 2 2 1 0 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 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 2 1 2 4 3 4 7 7 5 2 3 7 11 5 10 14 22 10 64 62 69 6 8 15 6 9 7 100 45 17 13 8 4 3 5 4 3 1 5 4 11 12 25 70 25 8 6 4 3 2 4 3 2 2 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 82 82 t 1H J 53 | 78 78 m 2H | 74 73 m 4H | 73 72 m 2H | 52 51 m 1H | 36 35 q 2H J 56 | 33 32 d 1H J 55 | 32 31 m 1H | 26 25 t 2H J 57 | 24 21 m 2H | 21 19 m 1H | 18 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c[nH]nc1C(F)F
ir: 3 4 8 4 2 5 2 1 1 1 2 1 5 2 1 1 1 2 4 1 1 1 1 1 1 1 2 2 2 7 14 8 4 3 2 4 4 1 1 1 1 1 1 2 2 1 10 14 4 2 1 1 1 1 1 1 1 1 1 1 1 3 2 1 7 3 1 2 1 2 5 10 3 2 2 2 2 3 4 1 1 2 2 1 1 1 1 1 1 1 1 1 2 4 2 2 1 1 2 4 100 7 0 1 2 1 1 1 1 1 1 2 2 3 2 3 3 1 1 4 2 12 9 2 2 3 2 1 4 3 1 1 1 1 1 2 1 2 14 2 1 1 1 1 1 1 1 1 3 3 4 10 2 1 2 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2 10 10 3 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 11 68 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 d 1H J 40 | 81 80 d 1H J 40 | 73 72 s 0H | 44 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCC(c2ccccc2)S(=O)(=O)N1Cc1ccc(N2CCC(O)CC2)cc1F
ir: 6 12 6 4 3 13 6 3 5 15 2 14 2 5 7 7 9 4 6 3 3 3 3 2 3 3 5 2 4 5 9 10 8 3 5 4 2 9 9 12 31 5 5 4 3 8 3 1 2 2 3 3 6 15 18 8 4 6 5 2 2 4 2 3 6 19 14 14 30 14 9 10 6 5 4 3 4 5 7 3 6 4 37 30 10 2 54 37 63 14 26 30 26 9 12 8 27 14 15 10 20 8 7 11 17 6 5 6 5 4 9 6 9 4 5 5 7 7 8 3 5 6 4 5 4 5 3 6 12 8 7 9 14 7 6 13 5 2 2 2 2 3 3 14 10 6 3 6 3 2 12 15 5 3 7 7 3 1 1 4 2 0 3 17 3 2 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 4 3 5 5 6 7 5 5 5 10 10 12 25 21 22 23 58 42 21 7 6 8 11 46 100 12 10 7 3 3 2 3 2 4 2 3 2 2 4 3 2 3 2 1 2 3 3 2 3 4 3 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 m 2H | 73 72 m 3H | 73 72 ddt 1H J 9 47 101 | 67 66 dd 1H J 21 100 | 65 65 dd 1H J 21 121 | 47 46 ddd 1H J 8 36 143 | 46 45 ddd 1H J 7 35 141 | 39 38 m 2H | 36 35 ddd 2H J 62 90 125 | 34 33 m 3H | 30 30 d 1H J 49 | 25 24 dddd 1H J 65 81 92 145 | 23 22 dddd 1H J 65 81 92 142 | 21 20 dddd 2H J 49 62 90 128 | 20 19 dddd 1H J 49 64 91 115 | 19 18 dddd 2H J 48 62 90 128 | 17 16 dddd 1H J 64 77 92 114 | 12 12 d 3H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2cc(-c3cn[nH]c3)ccc2n1CC1CCN(C(=O)CCc2ccccc2)CC1
ir: 1 2 4 3 15 4 6 2 1 11 8 13 11 5 5 3 4 2 3 3 2 1 2 6 7 2 2 1 1 8 10 16 2 6 4 2 2 5 8 4 76 8 36 8 7 10 100 4 8 4 2 3 2 4 26 11 9 5 3 2 2 3 2 3 4 3 7 5 6 14 4 2 5 2 5 3 4 9 13 10 2 2 2 1 2 2 2 5 8 7 9 3 3 2 1 1 3 4 12 3 2 2 3 3 4 13 9 31 10 10 3 6 5 27 19 5 10 7 29 18 9 6 12 11 4 5 3 5 8 12 4 7 5 2 2 38 8 7 20 11 6 8 19 14 19 4 14 89 11 10 10 17 33 4 2 9 6 3 2 3 1 0 1 1 1 5 2 1 1 0 1 1 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 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 1 1 1 1 1 1 1 0 1 2 1 1 1 1 2 1 3 4 4 5 3 4 3 4 5 6 9 14 41 21 35 56 36 28 14 6 5 3 6 4 2 2 1 1 1 1 1 1 1 2 2 3 2 3 1 1 4 4 46 8 3 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 84 t 1H J 21 | 83 83 d 1H J 18 | 79 78 dd 1H J 17 34 | 76 75 dd 1H J 22 70 | 75 74 d 1H J 69 | 73 72 m 3H | 72 71 ddd 2H J 11 20 82 | 58 58 d 1H J 19 | 41 40 m 2H | 40 39 m 2H | 37 36 m 2H | 29 28 td 2H J 11 78 | 26 26 t 2H J 78 | 23 22 s 3H | 20 19 m 3H | 18 17 ddt 2H J 52 78 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1ccc2[nH]nc(N)c2c1
ir: 9 6 2 2 3 2 2 2 1 2 4 6 22 16 9 9 6 11 5 5 4 3 7 5 2 2 2 4 2 0 9 5 3 4 4 9 6 8 3 1 2 2 2 3 1 1 1 2 2 1 2 3 4 10 12 4 3 1 1 1 1 2 1 1 2 1 1 3 2 2 1 1 0 1 1 1 2 1 2 4 5 5 1 0 1 1 1 1 1 1 1 0 0 0 0 1 3 6 8 5 1 1 1 1 1 4 2 1 2 9 9 4 2 1 1 1 1 2 2 2 2 2 3 1 1 1 2 2 2 2 2 1 0 1 1 1 1 11 3 1 1 1 1 5 15 7 2 2 1 3 3 10 35 41 12 8 6 4 2 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 2 4 2 3 5 8 9 3 1 0 1 1 1 1 1 1 1 1 1 0 0 1 1 20 12 7 2 1 1 1 1 8 5 9 3 9 100 17 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 74 d 1H J 79 | 74 74 d 1H J 27 | 70 69 dd 1H J 27 81 | 59 59 s 2H | 47 46 dt 1H J 57 113 | 13 13 d 7H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@]1(CCN=[N+]=[N-])CN(C(=O)OC(C)(C)C)C[C@@H]1O
ir: 5 6 5 8 14 16 18 26 14 30 14 8 9 4 7 3 1 2 7 3 2 2 3 1 1 2 2 1 1 1 1 2 1 1 1 1 1 2 4 3 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 4 3 1 2 3 2 2 3 2 8 3 4 5 4 4 1 1 1 1 1 2 3 1 5 11 14 19 21 15 12 11 2 7 4 4 3 3 1 2 1 4 3 1 3 1 2 2 1 2 2 1 3 3 2 14 9 5 1 3 3 3 4 4 5 5 4 4 4 1 4 5 6 10 14 4 2 3 1 1 1 1 0 0 1 1 0 1 1 1 3 28 8 21 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 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 1 1 1 2 1 1 1 2 1 1 2 1 2 3 3 3 7 13 8 3 3 1 0 1 3 1 2 100 30 42 13 3 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 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 43 42 ddp 1H J 18 39 59 | 38 37 m 1H | 37 36 m 2H | 35 34 m 2H | 34 33 dt 1H J 93 108 | 33 32 d 1H J 57 | 32 32 s 3H | 24 23 dtd 1H J 18 93 131 | 21 20 dtd 1H J 19 94 131 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(Cl)cc1-n1cncn1
ir: 0 1 1 2 8 4 1 0 4 4 1 1 0 1 1 1 1 1 4 3 1 1 1 0 0 1 1 0 1 1 1 0 1 5 4 13 12 3 2 1 3 2 1 1 2 11 19 7 1 2 1 0 1 12 18 13 1 0 1 1 1 1 1 0 4 4 14 17 3 1 1 1 2 1 2 2 1 1 0 0 1 1 0 1 2 5 2 2 4 1 1 1 7 10 1 3 8 10 3 5 5 4 1 2 8 3 0 1 1 2 10 4 2 1 0 4 5 1 0 3 7 2 1 2 6 3 1 1 1 0 0 3 2 0 0 1 1 0 4 5 1 0 0 1 1 0 0 2 1 5 7 1 1 8 8 2 1 0 1 10 7 1 1 1 1 0 1 1 2 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 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 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 1 1 2 2 1 2 9 43 100 13 36 23 2 4 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 90 90 d 1H J 16 | 83 83 d 1H J 16 | 79 79 d 1H J 82 | 78 77 d 1H J 21 | 75 74 dd 1H J 22 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCCCCO)c1nc2ccccc2s1
ir: 0 3 2 1 1 2 6 5 0 1 1 1 1 0 3 2 2 1 1 0 0 1 1 1 0 1 1 1 5 11 13 1 2 1 1 1 1 1 1 1 1 3 36 45 18 17 10 2 1 2 2 0 1 1 1 2 5 9 2 1 1 2 1 0 1 2 1 1 2 2 1 0 1 1 1 1 2 1 3 3 1 6 1 2 4 8 8 20 3 5 15 9 3 2 1 2 2 1 1 1 1 1 1 1 1 1 0 1 3 2 2 3 2 2 8 5 3 3 3 1 2 1 5 2 1 2 8 4 2 2 1 1 1 1 5 4 4 4 1 2 3 8 15 2 2 6 14 13 93 2 1 2 4 1 0 1 1 0 1 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 0 1 1 1 3 6 3 3 100 10 2 2 1 1 2 14 30 4 2 1 1 1 1 1 1 1 1 2 3 3 2 3 20 13 3 1 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 t 1H J 49 | 81 81 dd 1H J 15 73 | 80 80 dd 1H J 15 69 | 75 74 td 1H J 16 73 | 74 74 td 1H J 15 75 | 36 35 q 2H J 56 | 34 33 q 2H J 50 | 30 29 t 1H J 59 | 17 16 ttd 2H J 13 50 73 | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(N(CC)CC)cc1C
ir: 4 6 12 6 5 8 6 4 2 2 5 2 4 7 6 4 6 7 9 5 3 6 12 19 1 3 5 12 10 8 4 3 2 3 4 1 2 2 2 3 6 5 6 7 4 16 7 100 86 30 39 20 6 10 7 11 16 5 3 3 3 3 2 1 3 5 6 4 7 10 3 5 8 9 2 5 21 7 5 2 5 8 6 3 5 7 6 5 8 6 7 10 3 4 3 3 6 12 3 17 12 12 5 3 6 5 1 13 9 4 2 3 9 5 2 5 9 3 13 17 6 4 2 5 5 3 2 4 4 2 3 5 5 7 2 4 9 5 27 20 6 3 3 4 2 3 3 7 10 6 5 7 26 31 85 61 8 11 2 5 3 0 2 6 3 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 4 2 2 4 4 3 3 4 2 3 4 6 5 11 23 16 11 47 37 14 7 3 3 5 2 0 2 3 2 1 2 3 2 1 3 3 1 1 3 3 7 6 69 12 7 5 4 2 4 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 76 75 d 2H J 81 | 74 74 dd 1H J 76 85 | 73 73 d 1H J 88 | 67 67 dd 1H J 22 88 | 66 66 d 1H J 20 | 35 34 q 4H J 70 | 30 30 t 2H J 71 | 23 22 s 3H | 18 17 h 2H J 72 | 12 12 t 7H J 70 | 10 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1sn(-c2ccc(Oc3ccccc3)cc2)c(=O)n1Cc1ccccc1
ir: 3 1 3 2 1 3 3 4 2 2 2 5 3 4 9 3 1 1 1 1 0 1 2 1 1 1 1 0 1 3 10 8 6 6 2 0 1 7 6 3 36 1 6 10 5 4 7 19 4 0 2 5 3 11 16 23 8 3 1 2 1 0 1 2 3 0 2 4 7 6 2 15 2 1 1 2 2 2 5 5 1 1 1 1 1 0 1 3 5 7 2 1 0 1 2 2 1 2 17 3 1 1 1 1 0 1 1 1 1 1 2 3 59 8 3 1 0 1 1 1 0 2 1 1 3 4 4 3 1 1 2 2 2 2 10 40 8 2 3 2 1 1 20 21 16 4 4 2 22 21 6 10 11 4 10 44 5 1 1 2 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 6 9 16 34 100 25 5 6 3 2 1 4 1 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 m 2H | 74 72 m 8H | 71 71 tt 1H J 14 75 | 70 70 m 2H | 69 69 m 2H | 52 51 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)Nc2cccc(O)c2)c(C)n1-c1ccccc1C(F)(F)F
ir: 1 0 1 0 0 1 2 1 0 1 1 1 2 2 4 4 2 1 1 1 1 1 0 1 0 2 1 6 3 3 1 1 1 1 1 1 1 0 1 1 1 7 8 12 2 1 5 2 50 31 14 2 2 0 1 1 1 0 1 1 2 0 1 1 2 5 5 15 9 4 1 1 1 0 5 2 3 1 2 5 2 4 15 81 11 0 1 1 1 1 1 2 5 1 1 1 0 1 1 67 3 2 8 1 0 9 3 1 4 3 1 1 1 0 2 8 1 1 1 1 4 1 1 3 1 1 1 1 1 2 1 4 0 0 1 1 11 9 3 5 3 1 1 1 1 7 6 6 3 8 1 1 1 2 11 3 14 5 3 1 1 2 20 3 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 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 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 0 0 0 0 1 0 1 1 1 2 2 4 4 11 33 11 8 5 2 2 4 5 100 36 5 2 1 1 0 1 0 1 0 1 0 0 1 1 2 2 9 8 2 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 76 75 m 3H | 75 74 m 1H | 73 73 ddd 1H J 12 21 79 | 72 72 m 2H | 66 66 s 1H | 66 66 ddd 1H J 12 22 82 | 59 58 s 1H | 25 25 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(CNCCCO)cc3)c2n1
ir: 2 5 2 5 5 11 8 4 4 4 3 4 3 5 2 5 3 3 5 4 4 3 3 3 2 2 3 1 1 9 3 3 2 2 5 3 4 9 3 10 8 6 7 6 6 4 3 5 5 4 2 5 4 9 23 17 9 18 6 5 3 3 3 1 2 2 5 4 3 6 2 3 2 6 10 4 2 3 1 1 2 2 2 3 3 2 3 9 6 3 5 3 4 2 14 2 2 2 1 2 2 1 1 2 1 2 3 2 4 5 5 3 3 3 4 5 3 3 4 11 2 4 2 4 3 3 4 3 5 5 24 3 3 7 10 29 5 3 2 2 1 1 2 3 3 5 5 6 6 7 3 0 9 39 100 10 3 2 2 2 1 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 1 1 1 2 1 2 2 3 2 5 7 5 4 4 6 6 6 13 18 12 5 4 2 2 1 2 3 3 13 15 20 12 6 3 2 12 6 3 3 1 11 37 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 99 98 s 1H | 72 72 d 4H J 9 | 66 66 s 2H | 53 53 s 2H | 43 43 m 2H | 39 38 m 3H | 37 36 q 2H J 56 | 31 30 p 1H J 54 | 29 28 q 2H J 54 | 19 18 tt 2H J 70 83 | 18 17 p 2H J 56 | 15 14 h 2H J 69 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=Cc1ccc(CC)cc1OCc1ccccc1
ir: 4 2 2 6 11 4 7 4 2 2 4 3 2 2 3 2 1 1 1 1 1 1 2 1 1 2 1 1 1 2 7 5 3 4 2 1 1 2 3 7 27 4 2 1 2 2 1 1 0 1 1 3 3 7 10 2 1 1 2 1 1 2 2 1 7 6 5 11 17 15 3 7 2 7 5 1 3 6 14 17 16 12 14 4 2 2 1 1 5 5 2 1 2 7 2 3 8 7 2 1 1 1 1 1 2 10 1 2 4 2 1 1 4 2 4 1 2 3 8 3 2 3 1 3 4 4 3 2 5 7 20 8 26 8 6 46 7 2 1 2 1 1 56 31 4 6 39 2 2 1 2 12 1 12 4 1 1 0 1 1 5 2 1 1 2 3 10 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 0 0 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 2 1 1 1 1 1 1 2 1 1 1 1 9 4 10 18 20 39 100 61 1 5 2 3 3 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 163 | 75 75 d 1H J 82 | 74 74 ddt 2H J 9 16 68 | 74 73 m 2H | 74 73 m 1H | 71 70 ddt 1H J 9 18 84 | 69 68 dt 1H J 8 17 | 64 63 d 1H J 165 | 51 50 t 2H J 9 | 42 41 q 2H J 61 | 27 26 qt 2H J 9 73 | 13 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC[C@H]([C@H]2OC(=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@@H]2N=[N+]=[N-])O1
ir: 15 18 5 14 33 14 11 12 5 9 54 20 8 7 7 8 4 5 4 2 4 5 7 15 13 8 7 4 5 4 4 8 3 1 2 1 3 2 1 2 2 1 2 1 3 4 2 5 3 12 16 8 8 0 6 2 3 10 14 10 3 10 11 9 10 17 8 4 14 15 21 7 30 18 12 10 5 3 5 16 10 6 11 9 25 64 100 6 18 22 0 2 12 9 7 2 11 40 57 26 26 6 2 7 7 3 0 4 8 13 11 4 6 3 5 4 4 4 3 2 3 3 2 4 5 13 13 9 9 9 6 3 2 2 1 2 2 2 1 1 2 1 1 2 47 6 5 1 1 0 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 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 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 2 2 2 2 4 4 5 11 19 8 12 15 7 2 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 56 55 dd 1H J 8 71 | 47 46 ddd 1H J 9 46 84 | 46 45 m 2H | 38 38 dd 1H J 19 83 | 36 35 dd 1H J 38 83 | 14 14 s 3H | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)nc2)C1
ir: 2 2 1 12 8 7 4 5 2 3 48 4 1 2 3 2 0 0 1 0 0 1 0 0 0 1 2 0 0 1 2 4 3 4 20 2 1 1 3 0 1 1 0 0 0 1 1 1 1 1 1 1 7 7 3 2 4 2 0 0 0 1 2 0 1 0 1 1 1 10 3 1 1 4 1 1 1 1 0 0 1 1 0 0 0 1 0 1 2 1 1 1 3 2 2 1 1 2 1 0 1 1 1 4 1 3 3 3 8 7 10 7 4 17 4 6 3 2 2 4 3 3 3 4 5 7 1 3 3 4 4 9 21 17 3 1 0 0 1 1 0 0 0 0 0 1 1 3 39 7 7 100 9 2 0 1 1 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 1 1 1 1 2 2 1 2 20 2 5 25 4 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 20 | 73 72 d 1H J 82 | 70 70 dd 1H J 19 83 | 49 48 tt 1H J 27 35 | 39 39 m 1H | 37 36 m 2H | 36 35 ddd 1H J 53 72 122 | 24 23 m 1H | 21 20 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C(=O)CC)=C(SC)SC
ir: 5 3 0 3 14 9 15 13 14 4 5 2 1 1 1 2 2 7 4 5 2 2 2 2 1 3 2 2 0 1 2 1 3 4 4 3 6 4 7 6 4 5 4 3 3 2 4 8 9 7 7 4 3 4 4 1 4 5 4 5 3 3 3 2 3 1 3 1 1 2 4 7 6 4 3 4 7 3 1 1 1 1 0 1 1 1 1 1 2 4 5 2 2 4 9 11 2 5 11 2 1 1 1 1 1 1 1 1 2 2 5 10 2 5 9 24 5 13 11 10 6 4 11 6 4 5 3 5 3 2 4 6 5 2 3 2 4 8 5 3 2 3 4 2 12 26 100 14 4 2 2 4 22 20 17 3 2 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 2 3 4 3 2 2 2 3 4 4 4 3 2 3 3 6 9 27 11 5 2 1 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 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 43 43 q 2H J 71 | 28 27 q 2H J 81 | 25 25 s 5H | 13 12 t 3H J 71 | 12 11 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Oc1ccc(F)cc1)C1CN(c2ccccc2)CCN1
ir: 1 1 1 1 1 1 3 3 4 4 3 2 1 2 1 1 1 0 1 1 0 0 1 0 0 0 1 1 1 1 2 4 4 2 1 6 2 0 4 6 7 31 6 2 1 3 2 2 2 9 4 2 8 30 80 60 16 4 4 7 11 36 4 4 7 10 4 4 10 17 6 15 8 2 2 3 2 4 5 1 1 3 2 2 2 2 2 6 10 2 1 1 2 8 1 1 1 2 4 4 6 12 6 5 11 16 12 71 28 6 3 2 4 3 8 9 7 5 9 3 3 2 6 3 3 2 1 2 3 14 19 3 4 1 2 5 4 2 1 1 2 2 2 6 9 32 8 14 4 4 3 5 9 10 4 1 2 1 1 0 2 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 2 1 1 1 1 2 2 2 1 3 2 2 3 4 5 9 8 18 100 36 18 4 3 3 4 1 1 1 2 1 1 1 0 2 2 5 3 41 50 3 2 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 70 70 tt 2H J 15 88 | 69 69 m 4H | 69 68 tt 1H J 13 77 | 42 42 m 1H | 38 38 dd 1H J 36 120 | 36 35 dd 1H J 36 120 | 34 33 m 2H | 33 32 m 2H | 30 30 m 1H | 29 28 m 1H | 13 12 dd 3H J 13 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc2cc(C(=O)c3ccccc3Cl)n(-c3cc(C)nn3C)c2n1
ir: 3 1 2 1 0 1 3 1 1 3 2 0 1 2 2 0 0 1 1 10 2 1 1 5 0 1 1 2 10 1 1 2 4 3 3 1 1 3 9 19 6 4 16 6 3 2 2 0 3 6 100 34 4 0 1 2 2 1 3 2 2 1 2 1 1 2 3 2 2 2 2 4 6 3 4 3 1 1 0 0 1 1 1 2 1 1 1 3 1 0 0 0 1 1 1 2 1 0 0 0 2 2 1 1 1 0 2 8 1 1 0 6 3 19 6 3 2 4 5 2 1 7 14 7 1 6 6 1 1 0 1 1 2 12 30 9 6 6 6 2 1 2 12 18 4 0 2 6 2 23 2 1 1 27 2 1 1 3 7 2 1 46 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 1 0 1 1 1 0 1 2 1 1 2 1 1 2 13 2 6 36 17 34 2 3 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 d 1H J 18 | 81 81 d 1H J 16 | 79 78 dd 1H J 16 76 | 76 75 dd 1H J 15 79 | 75 74 td 1H J 15 75 | 74 74 td 1H J 16 77 | 58 58 s 1H | 40 40 s 3H | 26 26 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCCC2(C)CC(C)(C)OC12
ir: 1 2 2 5 6 2 2 1 1 2 1 1 2 3 2 1 0 1 5 1 2 10 1 1 0 0 0 0 1 0 1 1 0 1 0 1 2 3 9 3 5 2 2 1 1 0 1 1 5 17 5 6 1 1 1 1 1 1 1 1 1 3 4 4 15 6 11 5 2 2 1 3 34 14 2 2 1 1 1 1 3 1 3 5 0 1 1 2 2 1 2 3 4 4 5 6 2 1 4 3 12 8 6 6 16 8 3 2 1 7 13 1 5 9 11 10 8 7 11 18 6 6 3 5 7 7 9 3 24 37 12 10 11 17 7 3 2 1 1 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 0 1 1 0 1 1 2 2 6 3 2 3 5 7 6 4 6 10 5 19 18 33 100 19 6 2 2 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 35 34 dhept 1H J 15 44 | 19 19 d 1H J 132 | 18 16 m 6H | 15 13 m 3H | 13 13 s 2H | 12 12 s 2H | 10 9 dd 3H J 15 62 | 9 9 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C[C@@H]1COc2cc(N[C@@H]3COc4c(Br)cccc43)ccc21
ir: 1 1 2 0 1 2 6 3 2 6 8 2 2 2 2 3 7 6 7 6 14 23 18 8 3 2 1 1 1 1 0 1 1 1 1 6 1 1 0 2 1 3 0 1 1 0 4 14 1 1 0 1 1 1 4 8 2 0 1 1 0 0 0 0 0 0 4 2 3 1 1 1 0 0 3 2 1 2 6 2 2 1 1 1 1 3 1 2 1 2 1 1 1 4 3 1 1 1 1 0 0 1 1 1 2 5 0 3 2 1 1 1 2 0 1 0 0 0 1 1 2 1 1 1 0 0 0 0 1 1 1 1 0 3 2 1 1 1 7 4 1 1 1 13 2 2 2 1 1 1 1 4 3 2 5 2 1 0 0 0 0 0 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 1 0 0 2 1 1 2 2 2 20 7 1 2 1 0 0 1 2 5 100 11 1 1 1 0 0 0 1 1 1 0 2 2 6 16 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 82 | 75 74 dd 1H J 11 80 | 74 73 dt 1H J 9 83 | 72 71 m 2H | 66 65 dd 1H J 22 88 | 65 64 d 1H J 22 | 52 51 m 1H | 45 44 dd 1H J 16 112 | 44 44 dd 1H J 31 113 | 42 41 m 2H | 36 35 m 1H | 29 29 dd 1H J 87 165 | 27 26 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=S)Nc1cnccc1N
ir: 37 18 54 34 10 15 12 10 8 12 18 7 16 8 17 7 2 3 2 4 3 5 5 5 3 17 26 14 13 9 15 11 39 29 12 31 24 27 27 18 43 9 8 7 14 4 12 4 11 10 7 3 5 21 16 21 16 0 3 3 2 1 2 5 2 1 2 6 7 20 6 6 22 17 6 4 19 2 4 1 2 2 4 3 2 2 3 3 2 3 3 2 2 4 4 4 20 7 7 19 4 3 5 7 7 5 4 2 1 3 6 14 24 4 1 4 10 5 5 4 7 8 14 9 12 5 7 2 3 2 3 3 5 3 6 5 7 14 7 7 11 17 6 8 38 16 16 33 33 8 9 14 9 10 15 41 77 93 11 7 14 93 47 5 3 4 2 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 15 0 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 2 2 2 4 2 4 2 3 2 2 5 5 7 8 9 15 27 11 11 6 7 3 2 2 2 2 2 2 2 2 1 2 3 2 15 50 11 5 10 9 54 100 22 5 4 6 41 69 24 5 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 97 96 s 1H | 86 86 d 1H J 14 | 82 81 d 1H J 22 | 79 78 dd 1H J 14 39 | 76 75 m 2H | 75 75 dd 1H J 22 88 | 74 73 dq 1H J 10 87 | 73 73 m 2H | 67 66 d 1H J 39 | 48 48 s 2H | 39 38 ddd 2H J 57 84 123 | 34 33 ddd 2H J 57 84 121 | 29 28 m 1H | 23 23 d 3H J 11 | 22 21 ddt 2H J 56 84 130 | 20 19 ddt 2H J 56 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1C#N
ir: 1 1 1 2 2 2 1 1 2 3 2 6 13 22 20 9 4 9 10 10 8 10 20 8 2 8 8 4 2 2 7 6 6 5 7 32 7 2 6 15 47 33 65 89 23 33 12 8 4 4 1 0 2 2 1 2 4 9 2 1 1 2 1 1 2 2 1 1 2 5 4 4 3 5 11 8 4 2 1 0 1 1 1 1 3 2 4 4 4 9 2 5 4 2 3 5 2 2 4 15 14 6 3 2 1 5 16 16 7 1 6 2 39 16 7 1 3 2 2 2 4 3 8 9 12 27 10 9 6 9 4 2 2 13 24 4 6 19 16 3 12 9 5 13 8 3 11 9 12 5 8 7 4 1 11 100 5 7 27 8 10 31 49 5 2 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 1 1 12 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 3 6 4 13 30 42 33 16 6 2 4 2 1 2 1 1 1 1 1 1 2 2 2 2 3 7 3 4 11 96 58 18 2 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 90 d 1H J 13 | 86 85 m 2H | 84 83 s 1H | 81 81 s 1H | 75 74 m 4H | 74 73 dddd 1H J 17 40 79 86 | 72 72 d 1H J 33 | 72 71 m 2H | 56 55 dd 2H J 8 39 | 40 40 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)Oc1ccc(-c2cc(CCl)on2)cc1OC(F)F
ir: 0 1 2 1 3 5 8 7 1 5 2 6 8 6 3 6 4 3 2 4 8 10 7 3 6 9 4 2 4 4 1 0 1 1 1 1 4 1 1 0 1 4 3 5 4 6 3 0 1 1 1 1 1 1 14 1 3 4 4 2 13 14 9 5 2 2 3 3 15 13 5 15 23 15 99 100 47 50 16 17 6 1 2 1 2 2 1 3 13 7 5 1 1 1 3 2 2 1 1 4 2 1 1 1 1 1 0 1 1 2 3 2 3 3 5 4 3 3 2 3 3 3 1 2 2 3 13 4 2 6 7 1 1 1 1 1 2 2 11 19 5 0 0 18 7 1 0 1 2 25 45 2 3 3 3 6 7 2 1 1 1 0 1 1 2 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 3 2 2 2 1 2 2 3 7 6 8 9 59 30 40 11 7 3 3 2 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 dd 1H J 16 92 | 73 72 m 2H | 68 68 m 2H | 67 66 d 1H J 137 | 66 65 d 0H J 137 | 48 48 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCNCCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1
ir: 1 1 1 1 4 4 5 3 2 3 3 10 4 6 6 3 2 2 2 2 2 3 3 7 4 1 2 3 1 1 1 1 1 1 1 3 3 0 1 1 1 1 1 1 3 5 5 1 3 10 2 7 3 6 11 13 4 0 2 4 1 1 1 2 2 2 2 3 6 3 2 7 2 1 3 3 1 1 1 1 4 2 1 1 2 2 9 14 5 2 2 2 2 1 3 1 3 2 2 1 0 1 1 1 1 1 3 4 12 15 7 4 3 4 5 4 1 2 2 3 2 2 3 4 8 3 1 1 1 1 1 1 7 5 2 6 3 1 1 1 0 3 1 0 0 1 1 1 3 1 1 3 5 5 1 1 0 1 0 0 1 4 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 2 4 11 38 12 3 2 3 4 11 71 100 10 3 1 1 1 1 1 1 3 7 25 38 10 11 3 4 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 84 | 77 76 d 4H J 8 | 73 72 d 1H J 23 | 69 68 dd 1H J 21 83 | 40 40 m 2H | 39 38 dt 2H J 44 56 | 33 32 tt 1H J 46 54 | 30 30 t 1H J 57 | 30 29 dt 2H J 44 54 | 28 28 td 2H J 45 53 | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=O)c1c2n(c3ccccc13)CC(N(C)S(=O)(=O)c1ccc(F)cc1)CC2
ir: 9 8 6 2 1 11 4 5 12 11 24 17 11 29 16 8 2 7 4 2 2 7 3 17 6 4 3 1 1 2 3 4 5 9 12 23 1 3 5 15 13 9 42 21 6 39 3 2 4 10 3 2 2 6 36 26 4 2 12 7 8 4 5 7 6 3 8 2 3 12 3 6 9 11 8 14 9 9 4 3 4 35 34 17 33 15 9 34 41 5 4 2 2 4 16 38 14 13 7 4 8 3 1 2 3 4 10 5 5 2 0 2 4 5 2 8 6 6 7 8 7 7 6 13 9 5 2 2 3 2 2 4 15 6 3 10 9 3 4 16 10 9 5 5 5 7 11 5 18 41 9 3 5 9 2 4 3 1 1 2 8 0 2 3 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 2 3 5 5 5 3 2 2 4 4 4 5 25 4 57 100 24 21 4 4 3 5 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 81 80 m 1H | 78 77 m 2H | 74 74 td 1H J 15 72 | 74 73 dd 1H J 15 65 | 72 71 m 3H | 42 42 dd 1H J 59 119 | 40 39 m 1H | 40 39 s 3H | 36 35 ttq 1H J 15 58 73 | 32 31 ddd 1H J 53 80 150 | 30 29 ddd 1H J 53 80 148 | 28 28 d 3H J 14 | 23 22 dddd 1H J 53 72 81 108 | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1cccc(NC=C(C(=O)OCC)C(=O)OCC)n1
ir: 3 2 2 2 1 5 7 5 3 5 5 2 5 3 2 1 1 1 1 1 1 1 1 4 1 1 1 1 1 1 2 4 3 4 4 4 12 11 18 22 4 4 4 2 7 9 49 100 26 19 2 1 2 2 2 1 1 4 2 3 2 5 1 1 2 2 1 1 3 3 2 1 3 1 3 2 3 12 9 8 3 4 2 1 1 1 1 0 1 1 1 3 1 1 1 0 1 1 0 1 3 1 1 1 1 1 1 1 1 5 8 3 3 5 3 3 2 5 9 3 11 3 5 5 3 2 2 7 14 2 3 3 5 32 3 2 4 4 3 14 15 15 6 4 3 5 63 58 14 6 4 23 11 4 6 2 35 4 1 5 2 1 2 2 2 2 1 1 7 19 5 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 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 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 4 8 5 13 23 13 5 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 4 2 2 1 2 3 11 14 40 40 72 24 10 3 2 2 2 3 2 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1; 1HNMR: 88 88 d 1H J 71 | 75 74 m 1H | 71 70 dd 1H J 12 80 | 68 67 dq 1H J 9 74 | 43 42 qd 4H J 22 71 | 26 26 td 2H J 8 62 | 18 17 qt 2H J 63 80 | 13 12 t 6H J 71 | 10 10 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCS
ir: 4 3 1 3 5 3 7 10 6 13 13 11 8 6 5 9 4 8 17 18 23 35 100 43 30 6 6 7 4 3 1 3 3 2 2 6 7 2 5 6 7 3 6 5 13 3 17 11 5 6 4 6 7 3 3 3 2 1 2 3 1 1 2 3 2 1 2 2 2 1 2 2 1 2 3 5 5 17 23 30 14 8 4 2 2 2 2 2 3 2 4 2 2 3 2 3 3 2 3 2 4 3 3 5 3 5 4 5 6 8 6 7 6 7 9 6 5 7 5 11 3 4 7 3 2 7 4 5 3 3 3 2 1 2 3 3 3 2 4 5 8 22 20 18 24 18 8 3 2 4 2 0 1 2 2 0 1 2 1 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 3 3 2 1 2 4 3 2 3 4 3 4 4 3 5 4 3 5 2 4 4 8 2 24 63 49 17 3 5 4 4 2 4 3 2 3 4 4 3 4 4 3 3 2 4 4 2 6 5 8 5 3 4 3 4 4 11 8 4 2 2 1 1 1 2 2 1 3 9 79 93 3 4 1 0 2 2 1 0 1 2 1 0 2 2 1 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 26 26 dt 2H J 59 68 | 23 22 m 2H | 17 16 m 5H | 14 13 t 1H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nc(C(=O)OC)cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N
ir: 13 8 7 8 9 14 6 13 19 26 39 28 33 10 33 35 10 9 13 19 19 15 17 20 26 11 18 18 24 17 12 23 21 10 25 12 15 21 14 7 5 11 8 3 6 7 4 6 5 6 8 5 8 8 8 7 10 5 3 3 6 8 5 4 6 6 9 16 10 6 6 4 6 4 5 5 4 5 5 3 4 4 4 4 11 8 5 4 7 4 3 10 9 6 4 7 26 14 6 7 7 6 9 4 3 6 5 5 8 6 0 26 10 10 14 14 10 10 12 6 12 7 12 14 8 13 6 6 10 7 18 13 8 7 5 8 24 11 5 6 6 4 5 20 61 42 44 8 7 25 7 12 42 8 9 11 20 6 6 4 6 4 13 4 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 2 2 3 3 3 2 3 3 3 2 3 3 2 3 3 3 3 2 3 3 2 3 3 4 2 3 4 4 4 3 4 4 3 4 4 6 3 5 7 5 5 5 8 8 6 30 4 6 13 10 5 5 5 3 4 4 3 3 5 4 3 4 4 3 5 9 8 22 43 7 14 19 33 52 53 41 25 10 12 54 100 8 7 5 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 2 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 4 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3; 1HNMR: 71 70 s 1H | 70 69 q 1H J 51 | 54 54 s 2H | 48 47 d 1H J 88 | 40 40 s 3H | 39 39 m 1H | 37 37 dd 1H J 21 120 | 35 34 m 2H | 33 33 ddd 1H J 33 57 121 | 31 30 d 3H J 49 | 19 17 m 4H | 16 15 ddt 1H J 63 92 128 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Nc2cc(-c3cccnc3)ccn2)cc1
ir: 4 5 1 3 8 5 4 3 3 5 3 7 5 7 5 7 9 7 13 10 11 100 68 49 36 12 17 16 5 5 6 9 12 30 22 14 9 7 5 5 4 1 2 1 1 4 3 1 2 2 1 2 2 6 5 0 28 17 3 2 3 4 19 17 7 4 5 7 5 16 10 4 6 5 30 17 8 9 13 37 10 3 4 3 2 2 8 10 8 2 1 1 0 3 2 4 4 4 1 1 1 1 1 3 16 3 1 1 1 1 3 23 10 4 3 15 12 2 3 5 7 1 2 1 5 3 2 1 1 1 1 2 1 4 6 1 1 2 3 14 7 4 24 28 13 2 6 5 6 2 6 13 17 16 40 37 6 4 2 2 2 3 2 20 46 15 6 2 1 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 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 1 0 0 0 1 1 1 1 1 0 3 1 1 1 2 2 3 14 39 26 12 5 3 4 1 3 2 5 30 5 0 1 2 1 1 1 1 0 0 2 4 7 10 18 47 25 5 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 90 89 d 1H J 21 | 87 86 dd 1H J 16 48 | 83 83 d 1H J 47 | 79 79 m 3H | 74 74 dd 1H J 21 49 | 74 73 m 2H | 73 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC(NC(=O)OC(C)(C)C)C(=O)O)c(F)c1F
ir: 2 5 2 2 2 3 3 3 8 5 5 8 10 5 6 10 9 13 8 43 44 15 3 11 11 8 4 9 9 13 34 16 11 5 3 4 2 5 6 1 1 1 1 1 1 1 1 0 0 1 1 1 1 2 6 10 6 6 2 1 2 3 3 2 1 2 1 1 1 1 3 3 3 3 2 3 4 7 21 16 9 3 3 7 4 3 2 3 3 2 1 1 1 2 1 2 3 3 1 2 3 8 8 2 1 1 1 2 5 4 1 3 2 2 0 2 2 3 4 14 10 10 14 11 10 2 4 7 4 3 6 4 2 1 1 1 1 2 5 2 3 10 6 16 8 100 43 7 5 12 16 2 6 2 1 1 1 0 1 2 4 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 1 2 1 1 1 1 1 2 4 6 5 2 8 16 5 6 17 8 5 1 2 1 1 1 6 22 39 4 0 2 2 0 0 1 1 0 0 2 5 5 29 29 12 7 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 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; 1HNMR: 97 97 s 1H | 70 70 ddt 1H J 9 48 96 | 69 69 d 1H J 82 | 67 67 dd 1H J 48 95 | 43 42 q 1H J 81 | 39 39 s 3H | 33 33 dddd 1H J 9 37 80 148 | 31 30 dddd 1H J 9 37 81 148 | 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)[C@@H]1CC[C@@H](Oc2ccc3cc([C@@](C)(N)CO)ccc3c2C2CC2)CC1
ir: 5 6 4 6 3 3 3 2 2 1 3 3 1 3 4 3 2 5 6 3 2 2 3 1 1 3 4 3 3 2 3 2 2 2 9 3 3 2 8 3 7 3 2 2 2 2 2 6 3 4 3 5 11 54 15 7 18 7 31 6 17 79 11 12 13 12 12 12 16 21 33 12 3 3 2 2 3 3 4 5 4 5 2 3 4 20 21 43 60 19 8 14 9 12 3 3 2 4 5 4 4 2 3 8 7 6 4 8 9 7 5 6 2 6 1 5 7 3 2 5 4 4 5 6 12 5 15 6 11 13 20 12 21 69 17 10 1 4 2 2 1 2 2 1 2 6 7 3 2 2 7 6 3 3 7 26 4 7 11 2 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 2 2 2 2 3 2 3 1 1 3 4 10 6 14 8 9 14 39 25 6 7 4 7 3 24 73 22 2 5 4 17 20 31 12 10 5 9 18 2 100 16 1 5 2 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 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 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: 80 79 d 1H J 78 | 77 77 dd 1H J 22 90 | 77 76 t 1H J 21 | 73 72 dd 1H J 21 80 | 70 70 d 1H J 90 | 45 44 tt 1H J 26 53 | 43 42 dd 1H J 59 125 | 40 39 dd 1H J 59 125 | 34 33 p 1H J 59 | 32 31 s 2H | 28 27 t 1H J 59 | 20 19 m 2H | 17 16 m 5H | 16 16 s 2H | 15 13 m 4H | 11 10 m 3H | 9 8 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OCC(=O)O
ir: 6 3 2 4 6 6 8 9 9 12 3 9 22 16 26 11 13 17 31 48 63 90 56 76 20 11 12 16 15 7 4 3 3 5 17 81 100 12 9 9 5 17 9 22 9 20 9 5 8 10 8 7 5 3 3 3 4 3 12 7 5 4 13 5 7 2 20 30 20 4 10 4 4 3 4 5 9 22 77 30 26 10 4 6 10 7 12 9 7 3 6 7 4 5 3 4 7 8 8 7 20 12 20 6 15 27 16 11 13 6 5 5 7 11 10 15 27 12 5 16 21 6 18 10 10 8 12 9 15 10 7 11 18 19 17 2 5 4 3 8 17 11 31 69 34 32 8 5 10 0 21 86 5 6 4 0 1 3 3 1 3 73 43 3 4 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 2 2 3 4 4 3 4 11 11 10 12 7 4 6 8 5 17 39 35 12 12 4 6 3 2 2 3 6 3 73 64 8 9 3 3 3 2 4 2 2 2 9 28 16 37 26 34 33 17 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 89 88 s 1H | 55 55 td 1H J 17 47 | 42 42 d 1H J 148 | 41 40 d 1H J 148 | 36 36 ddt 1H J 16 32 49 | 25 24 ddd 1H J 55 81 156 | 24 23 ddd 1H J 56 82 156 | 21 19 m 2H | 19 17 m 3H | 16 15 m 6H | 15 13 m 1H | 13 11 m 5H | 11 10 s 2H | 8 8 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CN(CC(=O)OC)c1cccc(O)c1
ir: 9 4 2 7 6 2 3 3 2 5 1 2 2 1 1 3 2 1 4 2 4 7 2 2 2 3 4 2 5 4 11 7 1 2 3 3 3 1 1 0 0 1 1 1 2 4 17 44 11 6 3 3 2 2 1 0 0 1 0 0 1 3 8 16 6 1 2 5 7 7 13 44 28 6 2 3 4 19 23 26 27 19 38 6 6 10 8 5 6 5 3 4 1 3 6 2 2 8 7 8 12 9 5 13 3 1 1 1 0 0 0 0 1 1 1 1 2 4 6 6 10 4 2 1 1 2 1 2 8 2 2 1 3 2 1 4 1 3 4 5 5 47 9 26 88 14 4 3 2 0 0 1 3 1 1 7 9 2 1 1 1 2 13 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 1 1 1 1 0 1 1 0 1 1 0 2 2 4 2 2 1 3 3 2 3 5 13 5 6 17 38 6 3 0 1 2 7 100 5 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 dd 1H J 72 84 | 65 64 ddd 1H J 11 21 71 | 63 63 t 1H J 21 | 63 62 ddd 1H J 11 21 84 | 61 61 s 1H | 41 41 s 4H | 37 37 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(O)(C(C#N)c2ccccc2)CC1
ir: 9 6 7 15 6 4 11 7 13 8 11 13 42 15 6 10 5 3 3 5 4 3 1 2 3 2 3 2 4 2 4 10 6 5 2 5 6 4 20 3 4 5 13 5 3 1 3 3 2 1 3 2 2 1 2 3 5 1 5 7 3 6 4 5 2 2 2 5 5 6 7 2 3 2 3 5 14 32 10 5 4 2 3 2 1 2 4 4 13 21 10 4 3 9 13 13 7 5 2 4 5 7 5 3 2 6 4 3 1 1 2 3 1 7 10 12 2 4 11 7 10 23 10 19 11 9 4 10 6 4 16 13 5 7 5 30 4 14 5 1 2 6 11 14 15 3 4 3 4 2 23 100 10 4 3 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 2 1 1 1 2 1 1 1 2 2 1 2 2 3 1 2 2 2 2 3 5 5 1 3 5 5 5 7 18 25 13 21 82 18 5 5 7 2 2 45 70 6 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 4H | 73 72 m 1H | 39 39 s 1H | 38 37 ddd 2H J 27 55 126 | 38 37 s 1H | 34 34 ddd 2H J 27 55 124 | 23 22 ddd 2H J 27 55 128 | 21 20 ddd 2H J 27 55 128 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(-c2c(-c3ccccc3)nn3c2CCC3)ccn1
ir: 5 3 2 4 5 2 2 3 4 3 2 3 3 3 3 5 5 7 5 4 4 3 3 3 4 3 2 3 4 6 12 5 5 4 3 6 7 3 6 5 24 42 23 5 8 3 3 4 3 2 3 3 3 2 4 15 4 7 7 10 3 2 3 4 3 2 8 12 8 13 9 63 6 4 5 4 3 3 10 7 3 2 4 4 3 17 11 4 5 6 4 5 3 5 4 4 2 3 4 7 3 26 4 7 9 10 26 15 3 7 23 36 11 13 30 11 8 4 8 9 7 6 5 7 2 4 8 13 17 5 5 4 5 6 29 10 4 9 7 6 15 15 5 3 5 10 28 8 13 8 5 2 5 9 4 2 2 4 3 1 7 45 3 3 3 4 3 2 5 27 3 2 3 4 3 14 4 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 3 3 2 2 3 3 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 4 2 2 4 3 2 2 4 4 2 2 4 4 2 3 6 4 3 12 14 6 4 10 9 6 0 8 38 39 21 65 100 76 13 9 5 5 5 3 4 4 4 3 3 3 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 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 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2; 1HNMR: 85 84 dd 1H J 47 56 | 79 78 m 2H | 76 75 m 2H | 74 74 dd 1H J 21 56 | 74 73 m 1H | 72 71 dd 1H J 22 121 | 44 43 m 2H | 30 30 t 2H J 71 | 24 23 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCC(=O)CC(=O)c1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n(C)c1n2C
ir: 2 3 13 9 6 4 7 14 2 7 5 9 5 7 6 11 4 3 6 18 7 11 26 17 8 6 5 11 5 13 8 5 3 5 4 6 7 4 3 10 4 6 8 8 3 4 16 78 33 20 13 3 9 100 80 33 19 18 5 5 6 6 4 6 5 6 5 15 9 12 7 4 15 15 15 15 11 10 4 4 3 4 2 7 21 10 4 18 5 4 3 3 6 9 6 3 4 6 3 4 6 3 2 3 4 7 2 4 8 15 2 5 5 6 9 5 6 10 7 14 8 10 6 12 20 22 7 38 12 24 50 14 6 3 6 5 3 7 5 6 8 64 93 16 21 10 8 23 36 3 5 10 7 8 17 28 6 1 4 22 8 0 13 5 2 4 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 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 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 5 3 4 8 7 10 7 8 4 1 3 13 9 15 42 25 38 91 79 26 12 9 5 5 3 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 83 83 s 1H | 82 82 d 1H J 15 | 79 79 dd 1H J 15 79 | 76 76 d 1H J 86 | 75 75 m 2H | 74 74 dd 1H J 20 86 | 42 41 s 2H | 41 41 s 2H | 36 36 s 4H | 36 36 d 1H J 72 | 36 35 s 3H | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.