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O=C(O)CN1CCC(C(=O)c2ccc(OCC3CCC3)cc2)CC1
ir: 3 3 2 1 1 3 4 5 6 13 16 33 42 13 9 14 11 21 43 50 41 70 100 77 28 11 6 12 9 1 5 5 2 2 1 4 5 73 16 7 13 4 1 2 2 9 3 7 3 4 2 1 6 8 12 55 29 12 9 9 5 3 5 1 4 4 6 8 13 6 5 3 3 4 3 23 20 24 79 22 46 30 14 6 5 20 28 83 13 5 7 3 3 4 7 5 7 8 8 7 6 4 8 18 8 24 13 6 2 5 5 9 3 11 6 9 10 4 4 11 4 8 5 5 5 10 14 7 9 6 4 2 5 10 4 17 22 10 3 12 16 52 57 28 39 23 8 8 3 25 15 11 7 2 2 3 1 2 1 1 1 0 4 12 1 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 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 1 0 1 1 1 0 0 1 2 4 4 3 5 10 7 12 5 5 4 6 20 10 29 42 16 12 5 4 2 1 2 5 12 46 15 8 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; 1HNMR: 93 92 s 1H | 79 79 m 2H | 70 70 m 2H | 40 39 d 2H J 44 | 34 34 s 2H | 32 31 p 1H J 59 | 30 29 ddd 2H J 55 82 125 | 28 27 ddd 2H J 55 82 125 | 22 21 ddt 2H J 57 82 125 | 20 18 m 5H | 18 17 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CC(=O)c2c(C(=O)Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cn3)coc2C1
ir: 29 29 15 9 12 26 5 9 7 3 5 3 4 4 2 2 2 2 2 4 5 1 2 8 10 4 3 3 8 2 3 4 3 5 19 6 8 6 10 14 13 35 34 17 33 55 13 13 34 15 5 7 9 27 81 27 11 16 7 15 3 5 8 26 6 44 32 7 7 6 11 14 9 2 3 3 4 6 70 9 50 86 66 8 6 2 21 34 16 100 16 23 32 20 2 3 6 16 3 13 34 36 23 30 23 12 21 4 5 4 2 3 7 3 2 4 6 8 16 25 17 21 20 5 5 4 2 2 10 12 4 15 7 2 1 5 5 4 0 8 59 32 8 1 2 3 4 8 38 32 68 99 22 31 47 24 3 4 7 4 4 1 14 11 4 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 2 1 1 2 2 1 2 2 2 2 3 10 4 3 4 2 3 7 7 5 3 2 2 2 13 42 23 28 10 28 8 9 6 8 3 4 2 1 2 2 1 1 2 2 2 2 2 4 2 3 4 5 7 6 7 9 11 14 89 61 8 5 2 2 2 1 2 2 2 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 97 96 s 1H | 78 77 d 1H J 19 | 76 76 s 1H | 75 75 d 1H J 85 | 73 72 dd 1H J 19 85 | 34 34 m 4H | 32 31 m 4H | 30 29 s 3H | 28 28 s 2H | 28 28 s 2H | 11 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(Cc1cc(OCCCC(F)(F)F)ccn1)c1nc2ccccc2[nH]1
ir: 2 1 5 13 9 6 5 3 13 2 2 2 8 2 1 2 2 2 1 1 1 1 1 6 1 1 0 0 1 1 1 4 5 1 3 2 3 2 6 5 20 16 5 8 3 3 1 1 3 2 2 1 1 1 0 1 0 0 1 2 3 3 1 2 3 4 8 21 35 7 3 3 7 10 5 1 1 1 1 6 2 1 1 1 1 0 1 2 6 11 9 2 2 2 2 1 2 1 4 1 2 6 9 9 8 14 17 6 3 1 2 6 8 22 8 3 2 2 3 4 5 5 3 15 1 11 3 1 1 1 1 1 1 1 1 2 19 26 9 1 1 4 32 3 2 0 0 11 3 1 1 5 9 2 0 0 1 1 1 5 100 40 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 3 4 2 2 1 1 3 2 6 24 10 14 50 39 3 2 2 2 1 2 1 0 0 0 0 0 0 0 0 1 0 0 0 1 7 2 3 3 28 5 0 1 2 0 2 1 0 1 2 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; 1HNMR: 98 97 s 1H | 81 81 d 1H J 50 | 80 79 m 1H | 78 78 m 1H | 74 73 m 2H | 69 69 dt 1H J 9 20 | 68 68 dd 1H J 22 51 | 46 46 d 2H J 10 | 41 41 t 2H J 51 | 25 23 qt 2H J 81 142 | 20 19 dddd 2H J 24 51 81 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1
ir: 2 5 3 2 3 2 3 2 1 5 13 8 2 4 3 1 0 2 2 2 1 2 2 1 1 1 4 1 1 7 25 12 4 2 2 4 1 5 4 2 4 37 56 11 100 22 25 15 3 2 4 6 7 5 29 36 11 8 7 3 2 3 5 1 2 3 3 8 10 6 10 6 17 6 3 5 3 3 2 2 1 1 1 1 1 1 1 2 3 3 1 1 1 1 3 1 1 3 12 5 2 1 1 1 1 1 1 1 1 2 7 53 3 1 2 2 3 2 2 10 9 4 4 3 5 5 2 6 4 2 1 3 7 9 17 21 6 2 1 1 2 8 62 37 27 5 8 3 4 4 9 22 11 6 12 11 16 32 8 5 2 1 3 17 3 5 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 2 0 2 5 3 0 12 15 11 34 51 10 9 8 4 1 2 2 2 1 1 1 1 2 2 2 3 4 1 2 2 3 8 25 38 15 9 8 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 85 | 79 79 m 2H | 76 76 d 1H J 21 | 75 75 m 4H | 75 74 m 2H | 74 73 m 1H | 70 70 m 2H | 38 38 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(F)OC1CCCCC1
ir: 20 41 50 59 38 50 11 11 19 18 10 14 11 16 9 10 9 8 17 25 16 10 4 1 1 5 5 2 1 5 5 2 2 4 4 2 8 10 7 2 5 6 5 0 3 6 4 2 2 9 5 6 5 12 8 0 6 7 3 0 3 5 2 0 4 5 2 0 3 6 3 1 3 5 5 1 17 6 4 2 3 4 1 1 3 3 1 1 4 4 1 2 6 4 3 3 6 5 1 2 6 4 2 4 10 11 32 41 80 39 64 49 46 44 12 33 45 29 48 30 15 6 13 13 8 10 5 12 7 7 5 14 9 11 5 5 4 2 2 6 7 100 37 83 30 4 3 3 3 2 3 3 3 1 2 3 2 1 2 3 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 5 3 3 5 5 2 6 12 8 17 15 7 10 6 9 8 16 14 40 21 9 4 3 4 2 0 2 4 2 1 2 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 48 47 pd 1H J 32 48 | 19 18 dddd 2H J 48 62 86 135 | 17 14 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1cc(C2=CCCCN2CCc2ccccc2OC(F)(F)F)cc2c1OCC2
ir: 0 6 22 4 6 1 1 3 2 1 4 2 4 3 4 7 0 2 3 1 1 1 0 1 0 1 0 0 1 1 0 1 1 1 2 11 3 1 0 2 1 1 2 14 2 1 1 0 1 1 2 4 1 1 1 1 1 1 1 1 3 1 2 8 66 1 2 2 11 9 3 2 3 5 4 3 3 1 5 8 5 7 12 7 9 9 20 37 71 21 12 7 12 4 10 11 5 3 4 28 8 13 6 5 5 7 7 1 2 3 5 6 3 1 1 4 9 18 26 31 9 9 7 2 3 2 3 2 1 1 2 1 19 23 3 7 4 6 4 4 1 1 2 5 1 1 0 2 2 4 1 1 1 4 1 2 1 1 0 2 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 2 1 2 1 1 1 1 1 2 1 11 5 8 25 19 4 3 2 1 2 1 0 0 1 0 0 1 1 1 1 2 7 100 7 4 13 10 31 57 10 7 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 d 1H J 20 | 75 75 dt 1H J 9 20 | 74 74 s 2H | 73 72 td 1H J 17 72 | 72 71 dd 1H J 13 71 | 71 71 ddt 1H J 8 18 75 | 71 70 td 1H J 13 75 | 60 59 tt 1H J 9 49 | 45 44 t 2H J 42 | 36 36 t 2H J 63 | 32 32 m 4H | 29 28 td 2H J 9 63 | 22 21 m 2H | 19 18 ddddd 2H J 9 43 55 67 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CN(Cc2ccccc2)CC1Oc1cccc2ccccc12
ir: 1 7 12 8 5 4 2 4 2 5 6 3 2 2 3 3 2 3 7 4 2 2 2 5 2 2 2 2 1 5 12 6 2 2 1 2 2 4 4 35 36 3 4 5 9 31 23 8 9 5 9 4 2 3 2 1 0 1 1 1 1 1 1 2 2 10 6 11 15 7 3 8 7 3 7 11 4 4 9 3 20 10 6 2 3 7 14 9 39 64 39 8 5 14 4 17 4 11 13 3 7 6 2 2 4 5 3 3 4 5 2 3 1 3 2 2 1 1 1 1 2 3 2 3 1 2 1 1 4 5 9 10 4 2 13 16 15 14 3 2 2 1 7 8 6 4 5 8 9 3 8 14 10 3 3 1 1 1 6 2 1 1 0 0 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 1 2 2 0 1 2 5 3 6 37 37 100 59 27 12 4 3 7 4 62 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; 1HNMR: 82 81 m 1H | 78 78 dt 1H J 15 81 | 76 74 m 4H | 73 72 m 5H | 70 70 m 1H | 48 47 dt 1H J 24 42 | 40 40 tt 1H J 31 45 | 37 36 m 2H | 34 33 dd 1H J 24 117 | 32 31 dd 1H J 31 115 | 31 31 d 1H J 49 | 31 30 dd 1H J 24 116 | 29 29 dd 1H J 31 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(NC(=O)c1cccc(I)c1)C(=O)OCC
ir: 2 5 11 7 3 1 1 1 5 3 4 2 1 1 1 1 1 0 0 1 1 1 1 3 3 2 1 1 3 2 2 2 2 1 1 2 4 4 7 69 100 11 5 1 1 3 3 5 4 1 1 0 0 2 1 0 1 1 1 1 1 2 2 0 2 3 2 1 1 1 1 1 2 3 6 2 2 1 1 1 1 1 1 0 1 1 1 8 3 1 1 1 1 1 0 0 1 1 1 2 1 1 1 1 1 0 0 1 1 1 0 3 4 9 2 2 7 4 6 6 6 7 15 4 5 10 5 2 3 4 1 0 1 1 1 1 1 1 1 4 2 3 3 9 47 13 18 8 5 1 1 1 1 1 1 1 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 2 1 1 3 3 3 1 6 6 2 8 14 13 6 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 1 1 2 6 19 17 6 5 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; 1HNMR: 81 81 m 2H | 78 78 ddd 1H J 11 22 79 | 76 76 ddd 1H J 12 22 77 | 73 73 t 1H J 77 | 49 49 d 1H J 97 | 43 41 qd 4H J 36 63 | 13 12 t 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCN1CCc2c(C)c(CO)c(C)c(NC(=O)C(C)(C)C)c21
ir: 7 4 4 3 3 2 2 6 2 2 1 1 2 3 2 2 5 11 3 5 9 21 20 2 3 6 5 3 4 1 1 1 2 4 29 1 10 21 36 21 10 3 4 2 2 4 1 1 1 3 3 1 2 1 1 1 10 3 2 1 2 10 11 6 3 5 3 4 5 4 2 3 2 3 8 4 8 6 7 5 3 2 5 15 15 14 61 60 10 17 6 2 3 3 2 3 5 2 1 2 4 4 1 1 1 1 1 5 4 5 0 10 11 6 5 3 6 5 6 10 6 4 8 7 7 5 11 5 7 3 5 2 3 1 5 8 2 4 2 1 2 1 1 7 25 100 50 18 4 3 2 2 1 1 1 1 2 17 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 2 1 1 1 1 1 2 3 2 3 3 4 3 2 4 6 14 5 27 19 12 21 15 7 5 3 3 4 3 2 6 12 83 31 10 3 3 2 3 5 2 3 1 6 2 7 10 21 40 15 14 10 4 2 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 0 0 1 1 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 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 s 1H | 47 47 d 2H J 53 | 37 36 t 2H J 40 | 34 33 m 3H | 29 28 m 2H | 22 22 d 5H J 143 | 17 16 m 2H | 14 12 m 11H | 12 12 s 7H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCC(C)(O)CSC1CCC2(OCCO2)C1CCCCCCC(=O)OC(C)(C)C
ir: 7 12 18 7 1 10 3 4 1 8 7 8 3 3 3 1 2 3 3 10 3 2 4 1 2 3 4 4 5 3 4 3 5 3 3 2 4 6 7 6 6 3 4 10 4 4 3 1 3 3 2 2 1 1 2 4 10 4 4 1 4 4 9 17 7 7 8 4 2 5 3 3 3 5 3 2 3 14 24 46 10 5 1 2 2 4 3 3 4 3 12 7 5 4 6 7 23 11 7 6 10 8 5 5 20 7 18 16 10 14 7 8 6 11 8 10 9 8 17 18 10 14 12 18 17 7 6 13 5 7 7 20 4 6 1 2 1 1 2 3 3 2 3 5 26 8 4 2 2 0 1 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 1 2 2 3 1 1 1 1 2 2 1 3 5 3 4 5 8 5 7 11 5 6 6 9 20 17 77 14 5 4 3 1 2 3 3 5 19 100 49 6 4 1 1 1 1 1 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 0 2 2 2 1 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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: 40 39 m 2H | 39 38 m 2H | 35 34 dt 1H J 42 64 | 32 32 s 1H | 27 26 d 1H J 139 | 25 24 d 1H J 137 | 22 22 t 2H J 76 | 21 20 q 1H J 64 | 20 19 m 1H | 18 16 m 4H | 16 15 m 1H | 15 12 m 27H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CCn2cnc3cnc4ccccc4c32)cc1
ir: 6 3 3 3 2 3 3 13 0 4 5 4 6 3 5 20 4 3 2 3 6 5 4 3 3 3 3 3 14 4 4 4 3 4 3 3 5 4 3 4 20 4 18 100 16 11 6 2 3 13 6 8 7 4 3 1 3 4 2 1 3 6 8 3 4 4 2 2 6 8 5 2 4 6 5 4 3 3 5 2 3 3 2 2 5 8 4 2 3 23 5 3 5 3 1 2 8 11 18 17 5 4 2 3 4 2 1 2 3 2 1 2 6 3 1 4 4 2 2 6 9 3 6 11 6 3 3 3 3 2 1 3 4 3 2 8 5 7 30 5 3 4 12 43 7 3 11 5 6 33 4 9 6 10 3 4 25 4 3 4 8 1 2 3 3 3 17 4 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 1 2 3 2 2 2 3 3 2 2 3 4 2 3 4 2 2 3 4 4 4 12 11 5 43 27 8 4 7 8 4 3 3 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3; 1HNMR: 90 89 s 1H | 83 83 dd 1H J 15 77 | 81 81 dd 1H J 15 81 | 80 80 t 1H J 9 | 77 77 ddd 1H J 13 69 81 | 77 76 ddd 1H J 13 69 82 | 73 72 m 3H | 72 71 dtd 2H J 8 15 67 | 43 42 td 2H J 9 64 | 30 29 tt 2H J 9 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCC(O)CC(=O)O
ir: 21 8 11 13 14 8 6 4 13 5 10 19 15 12 11 15 16 27 29 36 27 26 26 35 24 4 2 4 4 2 1 2 2 1 1 3 2 1 4 2 3 7 2 3 5 3 3 3 2 1 4 2 1 1 2 2 1 2 2 2 2 2 2 3 2 1 1 3 3 3 4 4 4 3 6 10 9 20 71 100 9 5 8 22 12 6 6 6 8 9 25 26 30 12 5 6 4 4 4 4 3 5 2 4 1 10 5 6 8 4 3 2 1 2 3 2 3 3 2 6 5 7 4 2 2 2 1 2 3 5 4 4 3 3 2 4 1 1 3 2 6 12 7 39 14 8 4 3 3 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 2 1 1 2 2 5 4 2 3 2 4 2 4 11 8 9 2 2 1 1 2 2 3 10 25 13 7 4 6 2 2 1 1 1 1 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 46 45 d 1H J 56 | 39 38 m 1H | 26 25 m 1H | 24 23 m 1H | 17 16 dtd 1H J 65 90 137 | 15 12 m 12H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(OCCCCC#N)ccc(C(C)=O)c1O
ir: 1 1 2 4 3 2 3 2 1 2 2 2 3 2 0 2 5 3 3 2 14 12 7 4 12 10 21 12 10 5 16 12 16 65 37 80 56 12 5 6 4 18 14 42 15 8 3 6 3 4 1 3 5 6 21 10 4 4 6 4 6 5 4 5 2 6 5 7 8 21 18 2 3 3 3 5 3 5 6 4 33 3 2 1 1 3 2 2 1 4 4 15 24 40 47 38 10 5 6 3 4 5 2 6 4 24 46 23 21 11 25 7 6 4 8 5 11 5 19 18 5 4 4 3 7 34 2 3 3 3 1 1 1 2 2 7 5 1 2 3 7 5 27 15 7 14 11 6 5 3 2 3 2 2 12 29 10 3 1 0 2 22 3 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 13 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 2 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 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 2 3 2 2 2 6 7 3 4 5 3 3 2 5 7 23 38 10 14 46 32 29 100 98 32 15 5 5 2 0 2 2 1 0 1 2 0 0 1 2 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 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; 1HNMR: 77 76 d 1H J 82 | 66 66 d 1H J 84 | 40 40 t 2H J 49 | 29 28 t 2H J 64 | 26 26 s 2H | 24 24 t 2H J 56 | 19 18 m 2H | 18 17 m 4H | 17 16 m 1H | 11 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCNCc1ncc(Oc2ccc(C(N)=O)cn2)c2ccccc12
ir: 1 2 2 6 2 2 1 2 3 2 2 4 5 7 16 6 2 11 32 4 6 2 3 2 3 6 18 5 37 4 7 8 3 4 4 7 6 14 29 100 25 16 13 27 10 6 7 5 3 7 8 6 5 16 7 11 5 2 2 3 3 5 4 4 3 5 6 4 3 9 4 4 7 3 3 4 2 2 16 4 1 2 10 2 1 2 3 2 1 2 4 11 3 3 1 2 1 1 2 2 2 1 1 1 2 2 3 7 22 26 11 9 0 5 6 9 14 16 17 5 4 3 3 6 5 6 2 2 5 2 14 4 1 7 6 8 4 57 32 6 4 3 3 34 5 1 2 2 2 4 8 17 6 4 3 4 5 10 68 6 12 43 7 2 2 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 1 3 3 7 4 16 9 13 8 4 2 2 1 2 2 2 2 1 2 2 2 3 2 4 20 5 13 8 3 2 2 2 2 1 2 4 11 48 4 0 1 2 2 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 85 85 d 1H J 19 | 83 82 s 1H | 81 81 ddd 2H J 13 35 75 | 80 80 dd 1H J 18 84 | 76 75 s 2H | 75 75 td 1H J 15 78 | 75 74 ddd 1H J 14 78 89 | 70 69 d 1H J 84 | 43 42 d 2H J 51 | 32 31 p 1H J 53 | 29 28 q 2H J 58 | 16 14 m 3H | 8 8 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(CO)cn1
ir: 4 12 1 3 5 13 6 3 3 3 2 3 3 2 2 3 4 4 2 3 3 3 2 3 3 2 2 3 3 3 2 6 12 2 3 8 18 3 5 4 7 2 3 4 3 0 4 5 8 4 7 10 22 14 5 11 11 19 4 4 2 3 3 8 3 1 4 47 4 25 3 0 5 4 5 6 3 8 4 7 3 7 15 7 16 29 9 100 9 20 7 5 5 5 6 4 3 3 8 3 4 3 3 3 2 3 4 3 2 25 4 4 4 3 9 4 7 3 5 4 11 9 12 19 5 15 8 5 3 4 4 2 2 4 5 38 1 36 5 10 5 3 3 3 2 3 6 9 6 14 5 9 9 5 4 3 2 6 6 3 25 3 5 3 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 4 2 3 3 3 3 3 3 7 5 4 5 8 7 6 15 11 14 13 16 16 11 6 5 21 4 39 4 38 3 3 3 2 3 3 2 2 3 3 2 3 4 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 79 79 dt 1H J 9 17 | 75 75 ddt 1H J 8 18 88 | 67 67 d 1H J 88 | 48 47 dt 2H J 9 61 | 44 43 q 2H J 66 | 40 40 t 1H J 60 | 14 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1I
ir: 5 2 8 5 9 3 4 3 6 4 2 3 5 5 6 4 12 3 1 3 4 3 3 4 8 2 4 5 5 3 1 4 4 3 3 7 5 4 15 100 53 34 15 3 5 4 5 4 7 7 6 5 16 17 25 9 8 8 3 3 2 0 2 2 2 2 2 14 22 17 8 4 3 5 7 3 2 2 4 3 2 1 2 2 1 1 3 6 2 7 4 4 9 11 5 2 1 1 3 2 2 2 4 21 19 29 10 2 2 2 5 2 3 4 4 2 1 2 4 2 1 3 3 4 3 5 5 3 2 5 8 15 56 12 5 2 1 2 4 5 1 7 80 23 25 11 7 3 4 13 30 19 8 20 16 5 7 6 3 2 3 23 79 10 2 4 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 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 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 2 2 1 1 2 2 1 2 2 3 3 4 7 8 7 22 22 36 9 6 7 6 2 5 4 2 2 2 6 3 2 3 3 1 1 3 5 4 9 28 12 16 7 3 2 1 1 2 3 1 1 2 2 1 1 2 2 0 2 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 90 90 s 1H | 90 90 d 1H J 20 | 81 81 dd 1H J 18 81 | 80 80 d 1H J 21 | 76 76 dd 1H J 22 77 | 75 74 d 1H J 80 | 71 71 dq 1H J 10 76 | 24 24 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN([C@@H]2CCCNC2)C1=O
ir: 4 1 0 1 1 1 1 2 2 1 0 1 1 1 0 2 2 1 1 1 1 1 1 3 1 1 1 1 1 1 2 2 2 3 11 32 47 4 4 7 2 1 2 18 5 6 7 2 3 1 6 3 6 72 18 3 40 24 4 4 2 0 1 4 1 1 6 4 1 1 1 3 5 3 2 2 2 1 2 2 0 1 2 9 2 0 2 5 15 3 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 5 11 10 34 12 14 4 14 13 16 6 3 4 3 7 3 8 5 18 9 7 15 8 3 1 24 9 4 3 3 6 2 1 2 1 1 1 1 2 2 1 1 1 2 2 0 57 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 1 1 2 1 1 1 2 2 1 3 3 3 3 2 2 2 1 2 2 10 3 3 2 1 0 1 2 1 1 1 1 1 0 2 1 1 2 7 5 6 4 38 100 78 7 7 5 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 38 37 dddd 1H J 28 46 54 72 | 35 34 ddd 1H J 38 50 106 | 35 33 m 3H | 30 30 m 1H | 30 30 s 1H | 29 28 m 1H | 29 28 s 3H | 28 27 m 2H | 18 16 m 3H | 15 14 dddd 1H J 44 54 77 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCN(C)c2nc(N)ccc21
ir: 3 4 3 2 0 2 2 2 4 2 5 3 1 2 2 1 1 1 2 3 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 6 1 1 3 9 7 12 3 2 1 1 1 2 1 1 1 3 3 5 3 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 1 1 1 1 1 1 1 1 2 1 1 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 2 5 2 1 1 1 2 9 6 4 3 2 2 2 4 21 14 6 11 2 3 8 10 2 2 2 2 10 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 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 1 1 1 1 2 2 1 2 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 5 4 4 1 0 1 1 0 1 1 2 2 2 100 4 3 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 70 69 dd 1H J 7 79 | 59 59 s 2H | 59 58 d 1H J 81 | 38 37 ddd 1H J 66 93 134 | 36 35 ddd 1H J 66 92 134 | 32 31 m 1H | 32 31 s 3H | 22 21 dddd 1H J 58 65 91 123 | 19 18 dddd 1H J 58 66 91 123 | 13 13 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCn1cc(C(=O)NCc2ccccc2C(F)(F)F)c2c(Cl)cccc21
ir: 0 2 2 1 1 1 2 1 4 3 3 4 5 2 6 5 4 6 1 1 1 5 3 2 2 3 6 3 4 7 4 2 2 1 3 2 2 2 2 1 4 21 48 70 14 12 19 30 6 1 2 3 1 1 3 5 4 2 2 2 2 2 1 1 3 13 6 3 5 1 2 2 4 3 12 4 2 2 5 2 1 3 2 1 1 1 1 1 1 1 7 5 4 6 3 2 2 3 12 100 4 9 8 6 3 9 6 15 15 4 2 2 2 2 2 1 1 4 5 9 14 4 3 4 7 8 4 4 2 1 3 1 3 1 0 3 10 71 16 7 15 21 52 11 8 9 16 10 13 12 5 4 26 4 2 4 1 0 4 7 2 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 1 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 1 0 1 1 1 1 1 2 2 2 1 2 1 2 2 4 4 18 14 50 51 12 17 23 6 4 2 1 1 1 1 1 1 1 1 1 2 1 1 4 5 4 5 4 5 28 44 13 6 5 2 3 1 1 0 1 1 0 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; 1HNMR: 80 79 t 1H J 49 | 78 77 d 1H J 9 | 76 76 dp 1H J 14 103 | 76 75 dd 1H J 12 67 | 74 74 m 3H | 73 72 m 2H | 48 47 dd 2H J 9 49 | 42 42 td 2H J 8 38 | 37 36 t 2H J 38 | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCOc1c(OC)ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc12
ir: 1 2 5 7 12 5 2 8 6 4 5 2 2 5 2 1 1 1 1 2 2 2 2 2 2 2 4 4 3 4 2 1 1 1 2 4 7 1 2 1 4 6 3 1 1 1 1 1 3 0 1 1 1 1 8 4 1 0 2 0 5 7 3 5 6 8 9 4 2 2 1 1 1 1 2 1 1 2 1 1 0 0 0 0 0 1 1 0 0 0 0 0 1 1 3 1 3 2 5 2 2 2 7 1 1 1 1 1 1 1 4 5 11 5 3 7 3 3 2 2 3 2 1 2 1 1 1 1 2 1 5 3 3 1 1 2 3 7 2 1 1 1 2 5 6 4 1 1 4 1 2 3 0 3 2 1 0 10 6 0 1 4 100 4 1 0 0 1 0 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 0 0 0 0 0 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 1 1 0 1 1 1 1 1 1 1 1 1 1 1 3 3 3 5 11 5 5 3 1 1 1 1 0 1 0 1 1 1 1 0 1 0 1 1 1 1 4 6 16 31 7 2 2 1 1 1 1 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 s 2H | 76 75 d 1H J 82 | 67 67 d 1H J 82 | 60 59 s 1H | 41 41 t 2H J 60 | 39 38 s 3H | 37 36 s 3H | 23 23 t 2H J 84 | 19 18 tt 2H J 61 73 | 16 15 m 2H | 15 14 pd 2H J 13 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cc2ccc(OC)cc2nc1O[C@@H]1C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1
ir: 4 4 2 3 8 6 3 2 6 4 7 6 6 1 2 3 2 2 4 6 6 6 1 2 5 2 6 6 7 3 1 3 3 1 1 1 1 0 1 2 2 1 3 2 1 0 2 15 17 1 2 2 1 1 6 2 1 2 2 2 2 2 3 2 1 2 5 4 14 10 2 6 14 6 4 4 1 1 2 1 1 1 3 3 2 1 2 4 3 2 2 6 7 2 4 5 5 3 4 3 2 3 5 8 7 5 6 6 17 7 11 3 0 3 8 10 9 3 4 3 4 4 8 6 5 9 16 8 13 10 10 7 14 11 20 7 9 21 15 5 6 3 3 69 51 14 5 3 2 4 10 100 3 3 5 8 13 19 4 2 2 8 4 0 1 2 2 4 9 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 1 4 4 3 2 3 4 9 6 5 12 24 11 12 17 24 7 4 8 3 8 3 2 1 1 1 1 1 1 1 1 1 1 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 d 1H J 25 | 77 76 dd 1H J 21 87 | 73 73 d 1H J 25 | 71 70 dd 1H J 114 168 | 69 69 dd 1H J 21 87 | 58 57 dd 1H J 24 169 | 56 55 dd 1H J 25 114 | 54 53 m 1H | 46 45 tdd 1H J 9 18 63 | 41 41 dd 1H J 23 120 | 39 38 ddd 1H J 18 42 121 | 38 38 s 3H | 37 37 s 3H | 25 24 dd 2H J 50 62 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1
ir: 1 7 3 19 4 3 3 3 2 8 4 2 2 5 0 3 2 3 3 2 5 2 4 1 3 1 1 2 2 1 6 16 13 53 14 10 8 4 2 2 3 1 2 2 6 3 2 1 3 1 1 1 1 0 9 6 2 2 1 2 1 2 2 2 5 6 2 2 1 3 7 2 2 1 1 0 1 4 24 3 0 7 8 15 100 11 2 4 22 7 2 1 1 1 2 6 64 4 1 7 7 6 3 1 5 8 8 3 3 4 3 1 1 1 1 1 2 2 2 1 1 1 3 7 6 1 1 0 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 2 6 11 16 45 6 1 1 2 0 0 1 1 0 0 1 6 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 2 1 1 1 1 0 0 1 1 2 4 6 8 7 3 5 5 15 5 1 2 2 4 3 1 1 1 1 0 0 1 1 0 0 1 1 4 6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 d 1H J 29 | 98 98 d 1H J 31 | 82 82 s 1H | 78 77 m 2H | 72 71 m 2H | 37 36 m 4H | 34 33 t 4H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)C1CC1
ir: 13 4 13 8 5 2 3 3 3 10 7 3 4 6 5 6 4 5 4 4 1 3 10 5 3 4 4 5 11 5 15 22 14 10 6 13 6 19 3 4 29 13 1 5 5 1 2 2 2 4 1 2 2 1 2 2 3 4 2 2 2 4 2 3 2 1 1 4 3 2 3 2 1 1 1 3 2 2 4 4 3 4 13 4 3 5 6 8 16 7 10 15 8 7 3 3 3 8 6 5 2 1 1 2 1 2 4 1 2 3 4 3 5 11 3 3 3 5 7 7 1 4 3 2 2 3 1 3 5 5 9 6 5 3 2 11 2 2 2 4 7 9 23 8 16 49 23 4 12 78 15 7 4 3 2 0 0 2 2 0 0 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 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 1 3 3 4 1 4 3 6 8 15 13 19 14 31 11 7 6 9 6 2 15 47 3 2 2 2 1 0 1 1 0 0 1 2 1 1 6 25 100 5 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 73 72 m 1H | 57 57 d 1H J 81 | 44 43 tt 1H J 68 82 | 43 42 dd 1H J 53 79 | 40 40 d 1H J 53 | 31 31 ddt 1H J 8 68 141 | 29 28 ddt 1H J 8 68 142 | 24 23 p 1H J 56 | 14 14 s 7H | 12 11 m 2H | 9 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)cs1
ir: 3 2 1 3 5 2 3 7 5 4 5 6 4 7 8 5 6 3 3 4 8 4 8 8 7 4 2 3 4 2 3 4 3 2 2 5 5 5 4 13 7 1 6 15 33 11 6 18 10 3 5 4 2 2 10 3 6 9 17 11 5 6 3 7 25 10 8 20 9 10 5 4 9 1 3 3 2 1 3 4 1 2 4 3 1 3 8 3 3 5 1 10 17 3 6 3 5 19 6 3 1 1 5 5 12 4 4 15 4 4 3 2 5 5 6 2 1 2 2 2 1 2 2 2 3 17 9 15 12 8 4 1 1 2 2 1 2 2 10 11 8 9 15 4 3 2 7 30 22 60 38 8 5 6 15 3 3 11 39 4 5 11 18 2 2 2 1 3 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 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 0 1 2 2 1 2 3 3 2 7 11 8 4 10 27 14 31 21 16 6 6 3 3 2 1 3 2 2 1 2 2 2 2 5 4 7 9 18 100 20 12 7 3 3 2 2 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 95 95 s 1H | 83 83 s 1H | 78 77 s 1H | 75 75 d 1H J 90 | 72 71 m 2H | 70 70 d 1H J 90 | 68 68 dd 1H J 22 88 | 28 27 s 3H | 24 24 p 1H J 55 | 24 23 d 3H J 10 | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=C(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(c1ccc(F)cc1)C(C)C
ir: 32 10 12 6 10 4 17 7 6 3 6 6 4 2 3 4 16 13 8 15 31 18 12 10 13 8 4 6 4 9 6 4 4 5 10 4 7 5 8 10 30 11 10 7 9 21 10 5 4 4 9 5 7 9 12 76 40 4 3 4 7 5 5 5 3 6 22 19 9 6 6 4 6 0 9 6 7 3 8 20 25 10 7 5 4 58 13 5 3 5 4 16 3 2 2 3 1 3 6 3 6 8 4 3 5 6 7 10 6 9 59 7 3 4 7 5 5 6 13 9 14 6 5 17 7 24 8 8 3 5 4 4 8 7 12 21 11 7 15 100 26 26 24 10 2 4 13 10 3 5 27 73 13 5 5 2 25 22 3 2 2 3 7 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 2 2 2 2 2 3 2 2 2 3 3 2 4 5 3 1 2 3 3 2 2 6 4 4 9 85 40 7 27 78 49 13 6 5 4 4 3 2 2 3 3 3 2 2 3 3 2 2 3 2 6 13 15 22 55 59 9 9 4 4 3 3 1 2 3 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 89 89 s 1H | 76 76 ddd 2H J 11 33 72 | 76 75 dd 1H J 9 179 | 74 74 m 2H | 74 73 m 2H | 73 72 m 1H | 71 70 m 3H | 47 46 hept 1H J 71 | 20 20 s 6H | 13 13 d 6H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1cc(OC)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1
ir: 3 2 1 2 2 3 1 3 5 4 2 9 9 5 5 4 3 5 5 2 2 2 4 5 9 4 6 8 3 7 13 22 12 12 12 8 20 7 12 10 18 70 29 28 22 69 47 7 8 2 7 6 6 6 7 40 61 4 6 7 5 6 4 5 5 3 16 20 6 21 19 4 4 13 6 6 4 1 2 1 1 1 2 3 1 2 2 3 4 7 3 6 4 3 9 3 7 7 6 4 5 2 3 3 27 6 15 10 4 4 2 3 1 3 4 4 6 3 3 7 3 4 3 3 3 2 4 4 2 2 3 1 2 3 9 21 26 34 5 4 2 2 6 28 18 56 8 47 34 28 41 56 55 29 37 26 18 5 4 2 12 5 5 40 3 4 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 4 3 2 0 2 4 2 2 6 9 10 8 24 99 20 18 10 4 5 4 3 2 2 2 2 1 2 3 3 1 3 1 3 3 1 11 40 56 100 39 15 10 6 3 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 d 2H J 84 | 80 80 dd 1H J 16 83 | 79 78 d 1H J 84 | 76 76 m 1H | 76 76 s 1H | 76 76 s 1H | 72 72 td 1H J 15 81 | 69 69 m 2H | 67 67 dd 1H J 24 84 | 66 65 d 1H J 22 | 40 40 t 2H J 64 | 38 38 d 6H J 81 | 18 17 p 2H J 67 | 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.
Fc1ccc(-n2cc3c(n2)CCNC3)cc1
ir: 0 0 1 0 0 2 3 2 1 1 1 8 3 10 3 2 2 1 2 2 1 1 0 0 0 0 0 0 1 0 0 0 0 1 3 1 2 0 0 0 0 0 2 2 2 5 11 5 2 9 12 10 6 27 72 34 20 3 5 1 1 1 4 13 8 5 3 2 2 2 3 1 1 1 1 1 1 1 0 0 1 2 1 0 1 1 0 1 1 0 1 1 1 1 1 0 1 0 1 1 7 3 1 1 1 1 1 7 2 10 2 7 7 8 5 11 4 13 2 2 1 1 2 2 3 3 2 1 7 15 10 1 4 2 1 2 3 11 15 6 2 8 27 8 1 1 1 1 7 3 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 2 6 6 6 6 8 19 13 12 7 8 2 1 1 1 1 1 0 1 3 2 4 2 3 95 9 100 4 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 76 76 t 1H J 9 | 72 72 m 2H | 41 41 dd 2H J 8 48 | 36 35 p 1H J 49 | 32 31 m 2H | 29 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(-c2ccc(Br)cc2)c1NC(C)CSc1ccccc1
ir: 4 3 3 3 1 3 2 5 6 8 9 6 9 11 14 28 32 37 39 11 8 7 1 3 2 3 5 12 4 8 5 2 2 4 3 4 3 4 20 22 36 20 7 1 2 1 0 0 1 1 1 3 5 24 89 23 5 4 2 0 1 1 3 1 2 5 2 3 23 7 3 2 2 2 4 4 6 7 1 1 1 1 1 2 9 6 1 1 1 1 2 4 9 6 0 1 1 0 0 1 1 1 2 4 1 1 1 2 3 4 6 3 3 1 1 3 6 9 7 5 20 6 6 17 10 8 7 4 7 3 7 7 25 4 7 5 47 100 19 5 5 28 48 11 7 2 3 3 13 3 4 7 4 1 1 2 4 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 1 1 1 1 1 1 2 2 1 2 3 3 5 10 22 21 47 43 8 9 6 3 1 3 1 1 0 1 1 1 1 1 2 2 2 3 4 4 4 18 26 31 47 16 7 3 3 3 2 2 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; 1HNMR: 77 77 m 2H | 76 76 m 2H | 73 73 m 3H | 73 72 m 2H | 69 69 d 1H J 101 | 40 39 ttd 1H J 42 53 97 | 32 31 dd 1H J 42 137 | 29 29 dd 1H J 43 138 | 23 22 s 2H | 13 13 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCCN1CCCNCC1
ir: 3 7 1 2 2 2 3 3 1 2 1 0 1 0 0 0 0 0 0 0 2 1 1 1 0 0 1 2 1 0 0 0 0 1 1 1 2 3 1 2 3 2 8 10 12 14 13 14 8 10 4 4 4 2 1 2 2 1 1 0 0 0 2 2 1 1 6 4 2 1 1 2 2 1 1 4 1 0 1 2 6 4 1 0 1 1 0 6 3 1 0 0 1 2 0 3 2 3 3 1 1 1 1 1 2 1 1 2 5 8 16 14 14 9 9 4 11 5 12 5 2 3 2 2 1 2 2 2 3 3 3 3 6 9 5 3 1 2 2 2 0 1 1 5 8 5 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 3 3 1 1 0 1 1 1 2 4 7 2 1 1 1 0 0 1 0 0 0 0 0 1 0 1 0 0 1 2 1 9 19 100 7 4 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 42 41 q 2H J 66 | 30 29 dq 1H J 46 57 | 29 28 m 4H | 26 25 m 6H | 24 23 m 2H | 17 17 p 2H J 63 | 16 15 m 4H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(Nc3nc(Cl)nc(Cl)n3)cc21
ir: 0 1 2 2 3 4 3 2 1 2 2 2 2 2 4 5 8 7 6 2 4 1 1 1 1 0 1 1 1 1 0 0 0 1 2 0 2 1 1 1 0 1 1 1 0 1 0 0 1 3 12 13 23 21 36 12 8 1 1 1 2 0 1 1 4 5 16 15 5 4 1 0 1 1 0 1 1 3 4 4 20 22 3 1 1 1 1 1 6 5 1 1 2 0 1 2 1 1 1 0 0 0 4 9 2 2 3 2 2 1 1 1 5 4 2 2 1 1 0 0 2 1 2 1 1 0 0 0 2 4 0 0 0 0 0 1 5 6 2 12 1 2 4 40 6 1 3 35 5 2 100 3 13 5 2 5 4 2 0 0 1 7 5 0 3 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 0 1 0 0 1 0 0 0 0 1 1 4 3 12 21 3 3 0 1 1 4 71 12 1 1 1 1 1 0 0 0 0 1 1 1 1 2 4 46 17 8 2 3 1 1 1 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 2H | 90 90 s 1H | 80 79 d 1H J 21 | 74 74 dd 1H J 21 81 | 74 73 d 1H J 81 | 69 68 d 2H J 86 | 66 66 dd 2H J 22 86 | 66 65 dd 2H J 22 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](CCO)N2CCCc3cc(Cl)ccc32)cc1
ir: 3 14 4 10 11 8 8 7 7 7 5 7 15 22 12 4 8 4 4 11 5 12 44 33 9 11 6 10 6 8 9 8 15 18 9 8 5 4 4 6 9 48 7 7 4 6 5 5 9 5 3 4 2 10 12 29 46 12 3 2 2 4 7 20 4 1 6 5 3 4 3 5 4 3 1 2 4 3 3 2 2 9 29 14 79 13 7 15 14 15 28 13 15 6 8 6 7 29 18 15 16 5 8 4 6 3 0 1 2 1 2 3 10 2 2 2 3 4 2 3 10 6 5 2 9 11 8 19 3 3 3 5 7 5 6 47 31 8 3 3 3 3 14 7 8 38 9 7 20 40 22 18 7 12 6 2 1 1 1 0 1 3 38 4 2 1 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 1 1 1 2 2 3 1 2 2 1 3 3 3 2 17 11 20 53 23 8 5 11 3 2 5 6 1 1 1 1 0 0 1 1 1 1 3 3 2 16 40 100 51 11 3 4 6 3 0 1 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; 1HNMR: 97 97 s 1H | 79 78 m 2H | 77 76 m 2H | 71 71 dd 1H J 25 87 | 69 68 dt 1H J 9 24 | 67 67 d 1H J 87 | 63 62 s 1H | 42 42 t 1H J 72 | 38 37 m 3H | 37 36 dq 1H J 60 120 | 36 35 ddd 1H J 44 63 123 | 35 33 m 2H | 29 28 m 2H | 22 21 ddt 1H J 60 73 134 | 20 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=C(OS(=O)(=O)C(F)(F)F)CCC1
ir: 18 10 8 11 7 6 6 10 22 14 63 6 6 3 9 4 3 2 0 2 3 1 1 2 5 10 32 12 2 4 2 1 1 1 1 1 1 1 1 1 1 11 1 2 3 10 3 8 3 0 1 2 8 8 4 5 17 3 2 16 3 0 1 2 1 1 2 2 1 12 55 1 2 1 2 2 2 6 32 44 21 2 2 3 7 52 4 2 15 5 3 2 1 1 2 1 1 62 16 3 2 1 1 1 2 2 1 1 1 1 2 2 9 8 3 3 3 2 7 4 16 4 2 3 2 2 3 2 1 1 1 2 7 2 1 1 2 1 3 27 6 2 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 2 4 100 32 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 9 3 3 2 2 2 3 6 13 1 47 3 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 61 60 p 1H J 9 | 28 27 m 2H | 25 25 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C(NC(=O)c2ccc(F)cc2)=N[C@@H](c2ccccc2)[C@H]1c1ccccc1
ir: 0 1 1 1 0 1 1 1 0 2 4 2 1 1 1 0 0 1 2 0 0 3 2 0 1 1 0 1 1 1 2 5 2 16 4 1 5 2 2 2 3 6 7 5 7 2 8 2 1 0 1 2 1 1 1 1 7 1 2 1 1 0 1 1 0 0 1 1 3 1 1 0 1 0 0 1 0 1 1 2 0 0 1 1 0 0 0 2 0 2 7 1 1 0 0 0 1 2 3 0 1 0 1 0 1 1 1 2 2 1 0 0 1 1 1 0 1 1 1 2 1 1 1 1 3 5 1 1 1 6 2 1 1 1 0 12 1 1 1 0 1 1 3 42 8 2 3 11 4 2 3 36 20 10 15 3 1 1 0 0 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 2 1 4 3 13 5 100 10 3 2 2 1 0 1 1 1 0 0 1 0 0 1 1 1 1 1 2 5 2 2 2 11 15 4 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 80 79 m 2H | 74 73 m 11H | 73 72 m 2H | 57 56 m 1H | 53 53 m 1H | 15 15 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CC2CCCN2C)cc1
ir: 6 4 5 3 3 3 3 8 4 10 6 5 5 8 15 23 9 4 13 5 3 3 2 1 1 2 2 1 1 2 2 2 2 3 3 4 9 2 3 1 2 6 7 7 5 4 5 3 4 3 5 6 6 6 31 82 16 27 27 14 18 21 14 22 10 22 5 6 5 13 7 5 11 10 15 14 8 9 3 6 16 39 55 6 6 11 4 11 9 39 15 9 31 10 6 10 6 12 11 5 9 7 5 9 12 7 6 3 4 5 14 5 5 4 1 4 6 4 8 5 12 5 8 8 7 9 6 5 4 3 16 4 4 3 1 2 3 1 0 2 3 0 1 4 4 1 2 21 96 27 11 1 23 6 2 2 2 2 2 1 1 7 5 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 3 2 2 4 4 5 5 5 4 3 5 3 5 15 18 4 55 100 42 14 9 6 5 5 4 3 3 3 1 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 1 2 1 1 1 2; 1HNMR: 71 70 dt 2H J 9 86 | 69 68 m 2H | 38 38 s 2H | 32 32 m 1H | 30 29 ddt 1H J 9 66 125 | 28 28 tddd 1H J 16 36 51 66 | 27 26 ddt 1H J 9 66 126 | 24 24 d 3H J 15 | 24 23 dddd 1H J 8 24 54 118 | 21 20 m 1H | 19 18 m 1H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)c(-c2ccc(Br)cc2)cc2c3cc(-c4cc(CO)n[nH]4)ccc3n(C)c21
ir: 3 1 1 2 2 1 1 2 2 2 5 2 3 1 3 1 0 4 2 1 2 1 2 1 1 3 1 2 2 1 1 1 1 1 1 1 0 0 1 0 1 1 1 1 1 1 2 9 15 10 6 4 3 10 9 18 5 3 2 1 1 1 2 3 1 2 3 5 1 1 2 4 11 4 3 2 3 1 3 5 1 2 3 5 4 26 16 8 4 15 4 6 5 7 5 2 3 1 0 1 2 1 1 1 2 3 4 4 3 1 1 0 1 1 1 2 4 2 2 2 3 2 2 4 3 2 2 2 1 2 2 2 2 2 1 1 1 2 8 2 1 2 2 2 4 12 5 5 4 2 1 6 1 2 3 7 1 1 3 1 9 1 1 1 6 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 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 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 2 4 2 10 20 8 9 9 9 5 19 50 100 51 26 7 1 2 2 1 0 1 1 1 1 1 1 1 3 3 8 6 7 4 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 83 82 d 1H J 24 | 81 80 dd 1H J 25 69 | 78 77 m 5H | 74 74 d 1H J 68 | 68 68 t 1H J 9 | 50 50 dd 2H J 8 56 | 37 36 t 1H J 56 | 36 36 s 3H | 36 35 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC2(CCN(c3nc(Cl)nc4ccoc34)CC2)C1
ir: 3 2 2 3 7 11 5 2 3 7 17 6 2 1 1 4 7 6 16 2 1 1 1 1 1 1 6 2 1 1 1 1 1 0 1 1 1 2 4 46 15 6 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 0 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 5 2 3 10 3 2 2 2 3 2 2 6 3 2 2 2 1 2 2 3 2 3 2 2 1 2 2 1 1 1 3 15 3 6 5 4 13 6 3 3 6 5 2 2 4 2 1 2 3 4 1 5 4 2 1 5 5 2 2 2 2 1 1 7 5 0 8 100 4 3 9 51 3 23 20 43 2 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 2 3 7 12 1 2 1 7 6 7 6 6 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 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; 1HNMR: 79 78 d 1H J 16 | 71 71 d 1H J 14 | 37 36 ddd 2H J 43 71 137 | 35 34 m 7H | 19 18 ddd 2H J 43 70 126 | 18 18 m 2H | 17 16 ddd 2H J 43 70 126 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(Cc2ccc(-c3nnnn3C)cc2)CCC1
ir: 1 2 4 4 9 5 8 7 2 2 2 2 11 16 6 3 5 74 19 4 2 10 3 3 4 1 2 2 1 1 1 7 2 1 1 3 1 2 1 1 0 1 5 1 1 1 1 6 3 2 1 0 1 2 3 37 57 6 6 6 3 1 6 3 1 1 1 1 2 8 2 1 1 1 1 5 2 3 7 4 1 1 1 1 1 1 2 3 1 2 5 15 1 2 1 2 3 4 9 13 26 9 16 12 3 5 4 4 3 2 32 6 14 4 42 3 0 4 3 8 10 3 4 5 5 9 16 4 4 11 51 7 2 5 5 2 30 8 3 4 5 7 40 8 7 62 33 14 5 2 10 9 4 2 1 1 1 1 0 1 1 0 1 12 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 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 0 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 3 2 3 1 2 1 1 2 7 16 12 2 3 5 5 1 8 28 73 100 29 7 2 4 2 1 3 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 0 0 1 1 0 0 0 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 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 0 1 1 0 0 1; 1HNMR: 80 79 m 2H | 73 73 dq 2H J 9 69 | 42 42 s 2H | 37 36 s 2H | 29 29 d 2H J 9 | 23 22 dt 2H J 73 124 | 20 20 dt 2H J 73 124 | 18 16 pd 2H J 22 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1ccnc(NN)n1
ir: 8 7 7 13 13 9 7 6 7 10 7 6 7 7 6 8 13 12 16 22 33 25 32 26 13 11 21 16 9 7 7 6 7 10 14 20 18 44 33 18 11 7 8 11 40 31 12 10 8 8 8 13 15 32 47 37 64 36 30 19 15 17 8 8 9 11 10 6 8 8 9 9 18 16 13 11 6 7 7 7 6 8 12 24 18 13 11 25 49 35 20 7 8 8 7 6 6 6 7 9 6 6 6 6 6 7 7 8 7 6 6 6 6 6 9 7 7 9 7 6 5 8 9 15 34 9 8 8 6 8 9 8 11 23 29 49 35 8 8 6 7 39 84 9 7 8 7 6 21 20 30 48 12 11 9 0 70 64 6 11 8 3 6 8 6 3 5 7 6 4 6 7 6 4 5 7 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 6 6 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 6 6 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 6 5 6 6 5 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 7 6 9 7 9 7 9 17 13 8 9 12 9 11 14 36 36 7 6 6 7 16 100 56 10 8 7 7 9 14 79 60 34 38 13 13 9 7 6 6 9 7 6 6 6 6 5 5 6 6 6 7 8 6 5 6 6 6 5 6 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6; 1HNMR: 83 83 d 1H J 44 | 78 78 t 1H J 38 | 71 70 dd 1H J 7 42 | 56 56 d 2H J 37 | 52 52 m 1H | 36 36 d 1H J 49 | 17 16 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CCC(NC(=O)n2ccnc2)CC1
ir: 4 8 3 4 7 8 9 8 9 6 8 3 2 1 0 1 1 1 3 6 2 1 0 2 3 4 3 1 1 1 1 2 6 7 20 10 7 1 1 2 3 2 2 5 1 1 2 1 1 1 1 1 1 2 3 2 4 7 2 5 1 2 6 3 1 2 2 10 7 4 5 13 9 4 3 1 1 2 3 2 3 23 100 10 5 5 7 4 96 17 56 8 8 18 9 11 3 3 2 3 6 9 3 3 11 6 4 3 1 4 3 4 1 4 2 1 1 1 3 3 1 1 3 6 3 3 1 2 2 1 2 1 1 1 2 1 1 1 1 1 2 2 3 7 8 3 2 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 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 2 1 1 2 3 2 2 1 1 1 2 1 4 10 13 15 4 2 14 7 10 4 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 5 3 4 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 t 1H J 17 | 78 77 dd 1H J 17 41 | 72 72 dd 1H J 16 40 | 60 60 d 1H J 64 | 38 38 dp 1H J 40 64 | 34 33 ddd 2H J 68 94 135 | 33 32 ddd 2H J 66 93 134 | 29 28 s 2H | 21 20 dddd 2H J 40 67 93 121 | 19 18 dddd 2H J 40 68 93 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(NCCC1CCCCC1)C1(c2ccc(Cl)c(Cl)c2)CCC1
ir: 2 3 3 2 3 3 2 2 2 2 2 4 2 3 3 4 3 3 2 2 2 2 2 2 4 4 2 2 2 2 2 2 2 2 4 4 3 2 2 3 3 3 5 8 19 5 4 8 13 30 9 5 4 6 9 10 7 2 9 11 4 7 5 9 7 4 8 9 5 3 10 2 4 12 11 5 4 2 4 8 4 7 4 5 3 2 3 3 4 3 2 3 6 2 3 4 2 8 4 3 10 6 5 4 4 4 5 8 11 18 15 14 7 15 6 5 4 6 10 14 5 5 3 4 6 3 3 3 4 4 4 5 5 14 12 6 4 13 4 3 2 2 2 2 2 3 3 7 10 6 2 3 3 3 3 2 2 2 2 2 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 4 3 4 7 3 3 5 3 11 12 16 21 25 18 5 3 3 4 2 2 3 3 2 2 3 2 1 3 5 1 0 50 100 19 9 4 2 4 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 75 75 d 1H J 83 | 73 73 d 1H J 23 | 71 71 dd 1H J 22 82 | 33 32 dq 1H J 52 70 | 28 27 ddt 1H J 46 54 134 | 27 26 m 2H | 24 23 dt 2H J 75 133 | 22 21 dt 2H J 76 133 | 19 17 m 2H | 16 15 m 3H | 16 15 m 1H | 15 15 td 2H J 16 41 | 15 14 m 2H | 15 14 m 2H | 14 13 m 2H | 12 11 ddt 2H J 57 84 128 | 10 10 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc(SC)nc1[C@H]1CCCO1
ir: 13 19 13 3 2 4 4 2 3 2 3 2 2 2 2 2 1 2 2 2 4 5 3 2 2 3 8 7 3 3 3 1 1 3 4 1 1 6 16 8 33 33 18 10 4 0 1 4 3 0 2 3 2 1 2 6 4 5 5 6 7 7 2 2 2 1 2 2 1 1 2 4 6 3 34 9 3 1 3 6 1 1 2 2 1 1 2 2 1 3 4 2 2 4 6 4 2 2 2 2 1 1 2 3 2 4 11 11 9 3 2 7 4 7 4 7 4 8 0 4 3 4 3 5 4 4 3 3 4 2 7 11 11 5 3 2 3 1 0 5 60 26 11 6 22 13 5 1 100 95 3 4 3 1 2 3 2 2 2 39 46 10 2 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 4 3 2 3 2 5 5 5 8 10 6 3 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 90 89 s 1H | 59 58 ddt 1H J 18 26 45 | 42 41 ddd 1H J 28 47 109 | 40 39 dddd 1H J 18 27 48 110 | 38 38 s 3H | 26 26 s 3H | 25 24 m 1H | 23 20 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)C1(CCCCCCCCO)CC2=C(C1)C(=O)C(OC)=C(OC)C2=O
ir: 8 3 3 2 4 4 3 2 3 3 2 2 3 2 3 3 3 4 2 1 3 4 1 11 4 4 5 3 2 2 2 2 2 1 1 15 100 16 5 3 8 35 11 0 1 4 2 1 2 2 3 2 2 5 2 1 2 3 1 0 2 3 2 1 3 2 5 1 4 4 3 1 2 3 2 3 2 3 2 3 7 7 4 12 13 4 22 10 5 5 4 5 3 5 4 3 2 2 1 2 2 2 1 2 3 4 4 2 2 2 1 2 3 2 14 7 7 3 2 3 8 3 7 6 7 4 7 5 5 2 2 4 2 2 1 2 2 2 2 3 2 2 7 14 32 8 19 63 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 4 3 4 5 3 2 2 2 2 3 3 7 5 5 4 2 3 2 5 3 3 14 41 7 5 5 2 3 3 2 1 1 2 1 2 3 7 23 8 14 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 60 60 q 1H J 52 | 39 39 s 5H | 36 35 q 2H J 58 | 29 28 m 2H | 27 27 m 4H | 26 26 m 2H | 17 17 t 2H J 76 | 16 15 tt 2H J 59 81 | 15 14 dq 2H J 71 82 | 14 12 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2C(=O)C3CC(c4ccccc4)(C3)C2=O)cc1
ir: 2 1 1 1 1 1 1 3 1 2 3 2 4 4 3 6 6 12 3 1 2 5 2 1 1 2 2 1 2 2 6 2 1 3 2 2 6 8 5 2 6 42 7 4 2 3 8 3 13 45 19 5 2 2 4 4 12 0 2 2 2 2 3 3 3 3 2 2 3 5 5 7 6 4 1 2 2 3 2 1 1 1 2 1 1 2 3 8 3 2 2 2 1 2 3 3 1 2 16 7 3 2 2 8 13 2 2 1 1 1 1 1 1 1 1 1 6 19 6 10 7 3 3 4 9 9 13 3 3 2 1 2 2 3 4 6 5 7 5 3 2 3 2 26 28 8 10 7 48 8 6 22 8 3 4 1 1 1 1 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 1 1 3 23 2 1 3 12 5 7 15 19 100 23 7 5 5 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 2H | 73 72 m 5H | 68 68 m 2H | 48 48 t 2H J 9 | 38 38 s 2H | 35 34 p 1H J 51 | 27 26 dd 2H J 51 125 | 25 24 dd 2H J 51 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1nc(CC)c(Cc2cncn2Cc2ccccc2)c1CC
ir: 2 4 2 4 8 8 9 7 4 4 2 3 10 1 2 1 1 1 1 2 2 2 2 1 1 1 1 2 2 7 1 3 4 3 6 8 36 10 43 21 13 17 20 8 7 15 7 5 15 17 19 13 4 6 3 2 7 8 9 6 9 6 4 16 5 3 4 10 6 7 2 3 11 17 14 12 40 18 3 2 2 1 1 3 3 2 1 1 2 25 42 6 1 2 2 4 4 17 25 12 4 3 2 4 4 5 4 5 15 40 25 25 34 23 25 24 16 23 23 21 11 13 5 17 9 9 8 10 7 6 2 6 9 9 12 18 6 5 3 2 2 3 11 17 20 17 8 4 1 1 1 2 7 2 2 1 0 1 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 1 0 0 1 0 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 3 3 12 3 6 8 9 17 23 10 16 11 24 15 37 59 76 27 26 94 19 100 68 14 5 2 2 3 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dt 1H J 8 17 | 73 72 m 3H | 71 71 ddt 2H J 9 16 68 | 69 69 dt 1H J 9 17 | 52 52 q 2H J 9 | 41 40 d 2H J 7 | 40 39 t 2H J 44 | 26 26 q 2H J 78 | 25 24 q 2H J 70 | 19 18 qt 2H J 44 77 | 11 10 m 6H | 9 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(SC(C)(C)C(=O)c1ccccc1)C(=O)ON=C1SC(C)(C)C(=O)N1C
ir: 4 2 2 2 1 4 5 4 3 3 10 6 4 2 1 1 1 1 1 0 0 0 0 0 0 1 0 1 0 1 1 3 2 11 21 41 6 2 3 3 2 1 2 3 1 0 1 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 3 2 1 1 0 3 3 1 0 0 1 1 3 2 1 1 1 0 0 1 1 2 1 1 2 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 2 6 5 7 9 7 11 11 5 7 18 1 3 7 1 1 3 1 2 2 1 1 0 0 1 3 2 25 5 1 2 2 2 6 100 5 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 1 1 2 2 6 8 3 3 12 3 3 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 m 2H | 76 75 tt 1H J 16 77 | 72 72 m 2H | 34 34 s 2H | 32 32 s 2H | 16 16 d 13H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(N)ccc1C1=CCN(C(=O)OC(C)(C)C)CC1
ir: 9 5 7 15 5 28 5 9 19 25 39 30 13 11 9 14 8 3 8 11 16 18 22 11 5 4 5 3 2 4 5 3 5 5 5 11 10 90 17 11 7 4 6 7 4 2 2 8 4 1 3 5 31 20 7 8 5 7 10 5 4 4 8 5 6 13 10 4 4 7 4 4 2 3 4 12 7 7 3 3 2 1 2 2 1 2 3 6 2 2 4 5 4 3 2 4 2 2 3 2 1 2 4 5 20 2 3 1 1 2 3 2 2 4 6 10 9 12 12 11 21 11 14 3 4 4 5 5 6 9 13 13 4 5 6 5 17 51 14 4 2 2 4 2 5 38 6 12 35 30 16 49 14 16 20 19 9 4 3 4 14 10 3 1 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 3 2 3 3 3 1 2 3 2 1 2 4 2 2 4 17 26 8 11 14 12 8 2 5 2 1 2 2 1 1 2 2 1 1 2 3 2 4 45 4 1 1 1 2 2 2 4 5 2 24 100 19 11 4 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 d 1H J 79 | 63 63 tt 1H J 9 35 | 62 62 d 1H J 79 | 52 52 s 2H | 41 41 dt 2H J 9 35 | 38 37 m 2H | 31 30 ddq 2H J 10 44 61 | 25 25 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ccc(Oc2ccc(CCC(N)(CO)CO)cc2)cc1
ir: 1 1 0 1 1 1 1 1 1 1 3 3 8 8 2 1 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 1 1 1 1 1 5 5 5 4 2 2 6 5 2 4 3 2 1 1 1 2 1 1 2 0 0 0 0 0 0 0 0 0 1 2 6 9 4 4 4 6 3 5 2 1 1 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 0 1 1 1 1 3 6 4 2 1 2 1 0 0 0 0 0 1 0 0 1 4 4 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 2 2 6 12 3 1 2 2 2 9 14 100 9 3 1 1 2 2 4 2 1 1 1 1 2 21 14 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 ddt 4H J 10 67 84 | 70 69 m 4H | 43 43 t 2H J 51 | 36 36 dd 2H J 50 122 | 35 35 s 2H | 34 33 dd 2H J 51 123 | 27 26 tt 2H J 8 79 | 26 26 tt 2H J 9 84 | 18 17 t 2H J 78 | 16 15 tt 2H J 67 84 | 14 13 hept 2H J 68 | 10 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2nc3ccccn3c2-c2ccnc(S(C)(=O)=O)n2)n1
ir: 3 3 1 2 2 5 2 2 2 11 6 5 11 9 2 1 0 2 2 1 1 5 3 1 1 2 1 2 1 3 6 7 8 3 4 4 6 11 42 4 2 3 4 4 100 16 81 52 3 5 2 1 4 3 1 0 1 6 2 1 2 3 3 1 5 7 10 19 11 5 5 8 10 12 2 4 3 2 16 7 14 7 7 28 34 28 32 8 3 4 3 3 4 5 1 1 2 2 1 2 2 3 3 4 10 10 3 2 3 2 1 2 9 3 0 4 2 3 2 3 3 6 2 3 4 7 4 3 2 2 2 14 5 9 2 3 2 17 32 5 31 1 1 7 7 10 11 15 18 6 3 5 3 3 3 39 12 2 43 34 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 3 3 3 2 1 1 2 1 2 2 2 4 4 2 11 33 4 15 13 30 33 15 21 17 11 4 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 92 91 m 2H | 80 80 d 1H J 42 | 79 79 ddd 2H J 13 61 81 | 79 78 dd 1H J 15 79 | 78 78 dd 1H J 75 82 | 75 74 m 1H | 72 72 ddd 1H J 13 70 82 | 32 32 s 2H | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)CCC#N
ir: 12 10 4 10 14 6 1 7 11 5 1 7 11 5 4 8 10 5 2 7 9 7 3 9 8 3 2 8 8 3 3 8 7 2 3 9 8 2 3 9 7 4 9 11 8 3 4 10 6 1 5 10 6 1 5 10 7 4 8 18 5 1 7 11 5 1 7 11 6 2 11 13 7 2 8 10 5 4 8 12 4 5 10 16 8 13 27 20 23 81 40 23 23 11 16 21 6 6 12 8 4 6 12 8 3 7 11 10 2 11 14 10 5 14 13 9 6 9 13 14 5 8 11 6 3 7 10 7 6 9 10 4 3 8 8 4 2 7 8 3 3 7 7 3 3 8 7 2 3 8 7 2 4 8 7 2 4 9 6 2 5 9 7 1 5 9 6 1 5 10 5 0 5 10 5 1 6 10 6 0 24 7 4 2 6 8 4 2 6 8 4 2 7 8 3 3 7 7 3 3 7 7 3 3 8 7 3 4 8 7 2 4 8 6 2 4 9 6 2 5 9 6 2 5 9 5 1 5 9 5 1 5 9 5 2 6 9 5 2 6 8 4 2 6 8 4 2 6 8 4 3 7 8 3 3 7 7 3 3 7 7 3 4 8 7 4 5 9 9 7 6 9 9 5 10 13 8 3 7 10 10 12 12 19 28 12 9 11 7 7 7 10 11 20 59 100 55 21 11 10 6 4 8 9 6 4 10 9 6 5 11 11 8 5 8 8 3 5 8 7 4 5 8 7 4 5 8 6 3 5 8 6 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 6 8 4 3 6 7 4 3 6 7 4 3 6 7 4 3 6 7 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 6 3 4 7 5 3 5 8 5 2 5 8 5 2; 1HNMR: 39 38 dddd 1H J 9 46 55 101 | 27 27 d 1H J 42 | 26 25 dt 1H J 80 106 | 25 24 dt 1H J 80 104 | 19 18 dtd 1H J 48 80 129 | 17 16 dtd 1H J 49 80 130 | 13 12 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C[C@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccccc2)C(=O)O)cc1
ir: 10 9 6 8 11 10 14 9 6 5 5 6 6 12 15 20 16 24 6 8 11 4 1 3 3 4 3 2 4 4 7 10 8 10 20 5 5 3 4 6 5 23 9 4 4 3 3 3 3 3 4 5 6 4 22 9 8 7 8 4 4 3 8 7 4 4 2 4 9 13 5 4 16 4 5 2 3 3 7 7 5 3 3 4 3 5 5 4 9 15 16 14 57 28 7 3 6 15 30 10 4 5 4 22 19 19 19 9 34 26 16 10 9 3 0 5 5 15 7 9 10 12 23 10 6 8 5 19 7 4 6 7 5 3 10 6 7 7 19 7 17 52 36 30 14 21 5 12 8 4 4 5 5 1 1 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 2 1 1 3 5 4 4 3 6 4 4 5 5 14 11 9 11 23 26 37 36 100 24 21 12 12 5 6 3 34 6 3 8 10 9 5 2 3 3 2 4 4 4 6 10 22 26 29 9 3 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 d 1H J 88 | 78 78 d 1H J 92 | 78 78 m 2H | 75 75 m 2H | 75 74 m 2H | 73 73 s 1H | 70 70 m 3H | 68 68 m 2H | 47 47 dt 1H J 58 88 | 46 45 dt 1H J 68 92 | 38 38 s 2H | 33 33 ddd 1H J 7 58 152 | 31 30 m 1H | 30 29 ddt 1H J 9 70 142 | 28 27 ddt 1H J 9 68 141 | 27 27 dd 1H J 48 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC(O)COc1ccc(Cl)c2ccccc12
ir: 5 5 4 7 16 11 16 28 13 6 7 4 4 4 4 4 5 4 4 4 7 4 4 4 3 3 3 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 5 6 24 5 4 4 3 4 4 3 4 5 21 6 4 4 4 3 3 3 3 4 5 4 7 4 7 4 7 4 4 6 5 6 4 4 3 3 5 4 4 4 5 6 33 6 7 7 100 11 7 10 6 7 9 4 9 4 4 5 7 5 3 4 3 4 6 4 4 4 3 3 4 3 6 4 4 4 6 3 3 4 3 4 4 5 4 5 5 5 7 6 4 3 3 3 4 3 3 3 4 3 3 3 3 5 13 6 71 4 4 4 3 3 3 4 3 3 8 4 4 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 4 3 4 6 6 7 10 12 14 7 6 9 3 0 88 79 20 10 4 2 5 5 3 3 4 4 3 3 4 4 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 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 82 81 dd 1H J 13 77 | 81 80 m 1H | 76 75 td 1H J 12 76 | 75 74 td 1H J 13 77 | 74 73 d 1H J 88 | 69 69 d 1H J 88 | 43 42 dd 1H J 54 118 | 40 39 dd 1H J 54 118 | 39 39 dp 1H J 53 61 | 38 37 dt 1H J 55 120 | 37 36 d 1H J 61 | 36 35 dt 1H J 56 120 | 34 34 t 1H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1cc(F)ccc1Nc1nc(Cl)ncc1Cl)N1CCCC1
ir: 3 11 25 4 3 3 5 4 6 16 3 20 6 13 26 28 6 4 2 2 2 1 1 2 3 3 4 7 14 6 2 3 8 5 10 14 26 16 14 19 73 87 63 57 24 8 7 12 8 4 3 4 11 30 41 48 12 5 3 1 12 7 9 11 6 11 46 24 11 1 2 2 2 3 3 14 40 11 9 2 9 13 27 17 11 20 15 31 37 13 5 3 6 8 3 3 4 12 5 3 10 53 12 23 9 2 9 4 6 2 2 2 14 8 3 2 2 3 3 2 1 2 5 6 11 9 14 12 3 2 2 2 5 6 8 2 1 1 2 1 21 5 4 4 15 40 6 3 2 8 29 16 8 17 16 30 44 100 15 3 4 5 16 34 11 1 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 2 1 2 1 0 1 3 4 5 10 31 38 10 3 2 2 1 1 1 1 1 1 1 2 2 2 2 4 4 2 2 8 8 9 23 90 14 12 7 0 1 2 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 89 88 s 1H | 85 85 s 1H | 76 76 dd 1H J 21 121 | 75 74 dd 1H J 46 78 | 72 72 ddd 1H J 21 77 101 | 32 32 dq 4H J 17 48 | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)nc1
ir: 2 1 7 13 1 8 2 4 5 8 14 17 9 14 20 23 15 8 11 7 5 21 38 16 7 3 2 17 13 4 2 2 3 6 13 37 14 9 3 4 4 9 6 21 14 19 7 0 1 2 4 2 3 18 24 5 3 2 1 1 1 2 1 0 3 7 8 6 3 8 26 7 2 2 5 7 13 7 8 11 8 3 1 2 3 2 2 3 1 4 3 1 2 2 1 3 4 6 21 2 4 17 8 3 1 2 1 5 3 4 2 2 2 2 1 12 2 3 3 3 5 3 0 7 51 19 20 5 1 2 1 6 13 4 4 4 6 3 23 100 8 3 5 8 10 61 6 4 7 2 98 9 15 64 31 8 7 7 2 2 3 5 37 8 3 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 2 1 4 2 3 3 5 14 44 45 16 7 7 2 1 2 1 23 33 3 1 2 1 1 2 1 3 2 9 6 13 18 23 67 36 25 9 2 2 2 1 2 1 1 1 0 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; 1HNMR: 96 95 s 1H | 86 86 d 1H J 19 | 81 80 dd 1H J 19 80 | 74 74 d 1H J 71 | 72 71 t 1H J 47 | 71 70 t 1H J 121 | 70 69 d 1H J 79 | 69 68 t 1H J 9 | 63 62 td 1H J 35 49 | 48 48 dd 2H J 8 51 | 31 30 dp 1H J 47 71 | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nccn2c([C@@H]3CC[C@@H](C(=O)O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
ir: 0 4 3 3 4 2 3 2 5 3 4 5 3 8 3 4 4 8 11 17 3 37 31 7 6 5 7 4 7 9 14 4 6 2 3 2 4 2 2 3 2 7 2 2 2 3 6 4 20 3 2 1 1 1 2 4 1 3 14 1 2 1 1 0 0 2 1 5 7 5 3 3 1 3 3 5 11 7 24 19 10 4 2 4 4 3 2 5 2 1 1 1 6 2 2 2 1 1 1 1 1 1 2 1 3 2 4 1 1 3 2 5 4 4 3 3 2 2 3 3 1 1 1 3 1 2 1 3 2 3 2 2 2 4 5 5 3 5 3 1 4 22 13 17 11 3 1 1 2 1 1 5 13 5 10 24 5 2 2 3 15 2 1 0 0 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 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 1 1 1 1 1 1 1 1 1 2 1 2 2 4 5 6 18 13 9 4 4 3 3 2 2 8 49 29 17 5 1 1 1 1 6 14 5 2 1 1 0 1 1 1 1 2 5 100 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 d 1H J 20 | 82 81 dd 1H J 7 81 | 81 81 m 1H | 80 80 d 1H J 81 | 80 79 m 2H | 80 79 dd 1H J 21 94 | 78 77 d 1H J 66 | 75 74 m 2H | 74 73 m 1H | 73 72 s 2H | 71 71 d 1H J 68 | 28 28 tt 1H J 38 64 | 23 22 tt 1H J 46 73 | 22 21 dddd 2H J 38 59 88 143 | 20 19 dddd 2H J 46 60 88 133 | 19 18 ddt 2H J 63 87 140 | 18 17 dddd 2H J 59 73 86 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1c(C)ccnc1N
ir: 11 10 10 6 4 9 6 6 7 2 4 5 4 9 4 21 9 21 12 10 15 4 5 3 4 7 6 5 4 5 3 2 31 27 10 4 6 19 13 22 19 14 12 3 8 5 7 3 4 3 3 3 3 4 3 2 3 4 2 5 3 2 2 3 2 4 4 5 5 5 7 5 4 5 5 8 2 3 2 6 5 5 2 2 1 1 2 3 10 18 1 2 2 2 3 11 15 5 1 1 2 2 4 5 6 4 3 2 2 2 2 1 2 2 6 6 5 4 6 2 1 10 8 5 3 2 2 3 4 2 1 2 2 1 1 2 3 2 15 20 1 5 4 4 12 17 15 10 22 17 50 50 100 63 11 14 9 34 24 6 4 1 1 3 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 1 2 1 1 2 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 2 2 3 2 3 3 2 3 2 3 3 5 8 8 12 12 14 15 4 2 2 2 1 2 2 1 1 1 1 1 1 2 2 7 19 31 0 3 3 1 1 2 2 1 1 3 92 66 37 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 79 79 d 1H J 46 | 69 68 dq 1H J 9 49 | 53 53 s 2H | 26 26 s 3H | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1nc2c(N3CCNCC3)nc(N)nc2s1
ir: 3 3 3 7 2 2 5 3 5 3 3 3 3 4 3 3 24 7 3 8 9 13 7 6 6 7 4 7 12 5 3 4 2 7 5 3 3 3 3 2 5 5 27 33 14 6 7 8 4 6 6 8 9 5 5 1 6 7 4 3 3 3 3 2 2 4 2 2 7 5 4 3 4 2 1 1 1 1 4 1 1 1 1 2 1 18 2 1 2 2 2 1 1 2 3 3 3 2 3 4 3 1 2 4 2 6 11 8 4 6 8 6 10 6 9 22 3 2 3 3 2 3 3 11 6 6 5 16 13 11 5 4 5 3 3 5 9 5 9 7 4 8 9 22 100 27 14 11 4 4 3 1 90 13 68 12 3 1 1 3 2 1 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 1 1 1 1 2 2 2 10 4 2 1 1 2 1 1 1 1 2 1 1 1 2 1 2 2 3 2 5 17 37 19 6 2 2 2 1 1 2 2 3 11 66 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 62 62 s 2H | 37 36 m 4H | 29 29 m 6H | 20 19 p 1H J 33 | 18 17 m 2H | 15 13 m 5H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(-c2cccc(F)c2)n(-c2cccc(OC)c2)n1
ir: 7 4 2 5 6 3 18 7 7 6 7 21 22 6 1 5 5 3 4 4 5 2 1 4 5 2 1 6 5 5 5 7 7 3 5 7 10 2 2 4 4 1 2 5 5 4 8 100 21 3 5 6 4 2 4 7 3 0 3 6 3 1 5 8 7 3 12 56 26 11 8 5 7 3 26 8 7 9 10 11 10 7 8 5 2 2 4 4 2 2 15 5 2 5 4 5 2 2 4 3 3 4 4 4 1 3 5 3 4 3 4 4 4 5 12 7 3 6 6 5 1 4 6 4 9 7 8 4 4 6 12 12 6 5 5 9 5 5 5 14 16 21 7 4 9 5 5 10 5 5 4 5 11 7 5 9 7 6 4 2 3 5 6 3 3 4 3 1 3 4 3 1 3 4 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 2 3 4 3 1 2 5 4 2 3 5 4 1 4 8 11 4 27 71 68 22 15 7 5 2 4 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 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 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 75 73 m 6H | 73 73 t 1H J 22 | 72 71 dddd 1H J 15 22 75 99 | 70 69 ddd 1H J 11 22 75 | 44 44 q 2H J 64 | 38 38 s 2H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCOc1ccc2nc(S(=O)(=O)N=CN(C)C)sc2c1
ir: 7 8 41 11 6 15 16 6 3 9 8 13 31 25 16 6 2 8 7 8 8 15 12 7 9 13 15 15 12 11 17 10 6 6 4 1 2 4 3 1 2 5 3 2 6 12 13 4 3 3 2 0 3 4 16 12 12 10 29 12 9 7 5 5 6 9 21 60 86 17 38 30 24 20 11 10 12 7 4 4 26 15 15 92 9 10 23 8 9 5 5 15 15 11 7 3 6 5 4 3 4 7 8 13 34 83 22 9 14 7 6 9 9 8 21 37 70 22 7 12 6 6 5 6 5 8 4 3 4 3 3 4 6 4 2 3 3 1 1 3 3 2 2 15 12 2 2 3 2 4 11 7 12 7 3 5 3 2 5 6 10 19 18 10 7 2 3 5 2 0 2 4 2 0 2 3 4 0 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 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 2 2 1 1 3 2 1 1 3 3 1 1 3 3 2 3 3 2 2 3 5 3 9 10 6 14 100 40 10 2 1 2 4 1 1 2 3 1 1 3 3 2 30 9 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 3 2 1 2 3; 1HNMR: 81 80 hept 1H J 11 | 77 77 d 1H J 78 | 73 73 d 1H J 22 | 71 70 dd 1H J 22 77 | 47 47 d 2H J 25 | 31 30 d 6H J 11 | 25 25 t 1H J 26
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)C(F)(F)F
ir: 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 1 1 1 1 1 1 1 4 4 5 1 1 2 1 2 1 1 1 1 1 1 1 1 2 0 1 1 5 2 1 1 0 3 1 1 1 1 3 1 1 3 1 1 2 5 24 3 9 5 2 6 1 1 1 2 15 1 1 6 1 1 1 1 1 0 1 1 1 1 1 1 1 2 1 1 2 1 2 1 3 4 1 1 1 1 2 2 2 3 6 9 6 4 4 3 3 12 5 3 4 4 5 3 1 2 1 1 6 10 4 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 4 3 1 0 100 0 1 1 1 0 0 1 0 0 3 1 2 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 4 2 1 1 1 1 1 2 2 6 5 8 4 5 8 23 17 32 11 13 2 2 1 2 1 1 1 1 2 1 1 1 2 2 3 2 5 8 9 3 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 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 83 82 dq 1H J 22 92 | 70 69 m 2H | 48 46 ddddd 1H J 26 53 79 92 132 | 11 11 dq 3H J 36 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)NC2CCC2)cc1
ir: 9 2 1 1 1 2 3 6 2 3 11 19 4 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 7 2 3 1 1 1 2 1 2 4 1 5 8 5 4 5 9 8 3 5 2 2 3 13 2 0 7 5 2 2 1 2 2 1 4 15 24 3 2 2 2 2 1 1 1 2 4 1 1 1 2 16 3 6 32 2 2 4 16 2 1 1 1 6 5 1 1 2 2 2 2 2 4 6 3 2 5 2 5 23 9 13 4 6 1 1 1 1 2 2 1 1 2 1 2 6 3 2 2 3 1 1 3 4 1 1 2 3 5 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 1 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 4 1 2 1 1 2 2 5 11 9 3 2 2 1 1 1 1 1 1 0 1 1 1 0 1 1 2 4 3 8 20 100 11 4 2 2 1 0 1 1 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 1 0 0 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 1; 1HNMR: 78 77 m 2H | 73 73 m 2H | 55 54 d 1H J 90 | 33 32 m 1H | 24 24 d 3H J 10 | 19 18 m 4H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(c1ccccc1)n1c(C)cc2c1ccc1nnc(C)n12
ir: 5 13 14 10 22 3 6 13 9 5 9 1 4 4 9 8 4 1 4 11 3 1 0 2 2 3 2 4 7 6 71 9 4 5 13 15 12 16 19 15 8 6 15 12 2 2 2 1 3 2 1 3 3 2 1 2 2 2 7 17 15 2 7 4 3 4 5 13 20 12 5 3 6 5 19 16 3 2 5 4 2 2 3 7 1 2 2 2 4 6 13 4 4 3 5 3 4 2 4 2 3 10 6 2 2 1 6 15 2 8 22 8 4 6 7 7 8 4 4 12 10 11 9 3 9 13 5 5 6 8 6 15 6 17 5 15 7 4 2 3 3 3 8 26 100 17 4 2 10 2 3 1 4 3 3 5 6 21 3 1 2 2 5 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 6 2 2 3 2 2 2 2 3 7 3 3 9 13 17 20 15 82 75 79 32 11 3 1 2 3 1 1 2 2 1 1 1 2 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 d 1H J 87 | 74 74 m 3H | 73 73 m 1H | 72 72 m 2H | 62 61 d 1H J 8 | 59 59 d 1H J 8 | 43 42 m 2H | 24 24 s 3H | 22 22 s 3H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21
ir: 0 4 13 10 0 2 3 2 1 2 4 1 0 2 3 1 13 3 7 1 0 2 3 1 0 3 4 2 8 6 7 0 2 4 3 1 29 7 8 16 8 10 71 21 5 5 4 2 6 17 3 1 4 23 23 4 3 3 2 2 4 3 4 13 19 18 6 2 6 5 6 2 8 18 4 3 11 6 2 1 4 3 3 13 8 7 7 27 10 3 4 9 20 14 14 5 6 4 5 7 8 4 1 3 4 2 4 6 6 10 20 6 4 3 1 1 2 3 1 10 8 15 10 3 3 3 0 6 6 1 5 14 12 8 17 14 6 2 2 3 3 9 6 3 5 1 1 3 3 12 6 6 13 4 1 13 6 4 4 3 5 9 2 3 2 0 8 4 2 2 2 3 3 3 12 2 2 3 39 4 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 7 6 7 9 33 38 50 72 100 28 16 11 8 5 9 5 5 3 2 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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; 1HNMR: 87 87 t 1H J 16 | 86 86 d 1H J 27 | 82 82 d 1H J 82 | 80 80 m 2H | 79 78 dd 1H J 16 77 | 78 78 dd 1H J 17 46 | 77 76 td 1H J 15 76 | 75 75 dd 1H J 17 47 | 74 73 td 1H J 12 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2cccc(F)c2)nc1C
ir: 13 15 6 4 16 5 4 9 2 5 6 2 5 6 1 1 2 2 4 3 2 2 0 1 1 0 0 1 1 6 4 1 1 2 0 4 19 90 48 4 2 2 2 0 1 2 3 74 5 1 2 3 7 53 48 0 3 3 7 1 1 2 1 1 1 3 8 13 14 20 7 3 2 3 6 5 3 6 5 5 6 2 2 1 1 1 0 1 3 6 5 2 1 1 1 8 3 2 1 1 1 1 4 3 1 1 0 0 1 1 2 3 12 6 6 2 2 6 11 15 14 3 2 2 4 17 1 1 1 3 1 2 3 1 1 1 1 6 14 43 57 18 6 27 43 12 7 14 9 6 4 7 36 75 12 6 3 2 5 33 3 0 3 8 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 2 1 1 1 2 1 1 2 3 3 7 8 21 7 35 100 35 16 11 2 2 4 1 1 1 1 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; 1HNMR: 80 79 d 1H J 84 | 78 78 d 1H J 84 | 78 77 m 2H | 75 75 td 1H J 49 80 | 72 71 dddd 1H J 11 22 77 99 | 43 43 q 2H J 64 | 27 26 s 2H | 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.
c1ccc(COCC2(COCc3ccccc3)OCCO2)cc1
ir: 4 2 2 1 1 2 1 8 6 6 2 1 1 1 1 1 2 10 2 5 7 2 3 3 3 2 1 2 3 4 6 19 5 2 3 1 2 4 35 100 28 12 5 2 3 2 3 5 1 1 2 2 1 1 1 1 1 4 5 1 1 3 3 7 2 0 33 11 10 8 13 2 3 6 1 4 4 5 6 1 1 1 1 1 2 1 1 1 4 13 2 3 4 3 2 3 2 6 6 2 3 1 1 1 1 2 1 10 4 3 1 2 1 1 1 1 1 1 2 3 3 4 2 3 3 3 2 3 2 2 2 2 2 6 3 75 7 2 1 2 1 6 12 41 6 7 4 4 1 1 2 4 3 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 2 2 1 2 2 1 2 7 15 10 11 58 40 16 5 3 2 4 1 1 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 11H | 45 45 d 4H J 8 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(N2CCC[C@H]2C(=O)O)nc1
ir: 5 4 1 4 5 4 0 2 2 2 2 5 7 4 3 5 9 6 5 4 3 67 6 3 5 7 2 9 2 7 1 1 2 2 2 11 84 100 19 3 3 2 2 2 2 1 3 3 1 1 1 1 1 1 1 1 3 1 6 2 1 3 8 2 1 1 1 1 1 1 1 3 1 7 7 2 5 14 7 15 4 8 7 3 1 2 4 5 5 2 2 1 1 1 1 3 1 1 2 2 3 1 1 1 2 4 3 5 2 1 3 1 6 3 1 1 4 5 7 9 1 4 4 3 7 3 2 3 4 2 2 1 1 1 2 2 11 41 6 2 1 2 14 6 10 25 10 9 2 2 1 2 1 1 5 15 2 1 1 1 1 23 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 10 4 1 1 1 1 1 1 1 1 1 1 1 22 9 6 1 1 1 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 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; 1HNMR: 88 88 s 2H | 44 43 d 1H J 64 | 44 43 m 2H | 37 36 m 1H | 36 35 m 1H | 23 22 ddt 1H J 46 65 116 | 21 19 m 3H | 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.
COc1cc(C(=O)O)cc(Cl)c1OC
ir: 1 1 1 1 1 1 2 1 1 1 1 2 1 2 3 8 7 2 2 2 0 19 10 6 3 1 2 1 2 2 2 1 2 2 1 1 1 1 2 5 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 4 1 1 1 6 5 3 2 5 1 1 1 2 1 7 3 5 1 2 3 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 1 1 3 4 2 1 1 1 1 1 3 3 2 1 1 2 2 1 4 4 2 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 19 13 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 9 5 2 1 1 1 0 1 3 69 100 5 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 d 1H J 22 | 75 74 d 1H J 22 | 39 39 d 6H J 31
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CN2CCO[C@@H]3COC[C@H]32)cc1
ir: 7 5 5 7 5 8 11 14 6 5 6 10 6 5 5 6 9 6 5 5 5 7 6 13 6 4 15 34 11 10 10 7 6 7 6 7 6 5 15 100 13 8 6 3 5 8 7 5 6 7 7 8 18 8 7 31 53 0 5 8 5 4 7 7 10 11 17 16 12 16 7 9 10 7 10 22 7 17 12 6 6 6 13 19 7 6 14 13 7 23 6 6 6 8 6 6 9 6 9 7 12 14 11 10 7 5 5 6 8 14 6 7 8 10 7 5 5 5 6 5 7 7 9 8 6 5 6 6 7 5 6 7 6 8 12 33 39 7 4 8 7 8 11 25 28 14 9 6 6 5 5 8 11 5 5 5 5 4 5 6 5 4 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 6 6 6 7 7 8 7 6 10 9 8 6 10 13 41 80 40 33 11 7 7 6 5 6 7 5 5 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 73 72 m 1H | 73 73 s 4H | 43 42 dddd 1H J 9 18 27 59 | 40 40 dd 1H J 18 103 | 40 39 m 1H | 39 38 ddd 1H J 35 62 99 | 38 38 d 1H J 125 | 38 37 m 3H | 35 35 d 1H J 124 | 34 33 ddt 1H J 18 37 57 | 30 29 ddd 1H J 35 62 125 | 29 28 ddd 1H J 35 61 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(C(=NO)c2ccccc2)c1
ir: 4 6 15 18 28 43 14 15 22 10 18 13 36 19 31 11 9 19 33 52 54 53 77 12 29 13 10 6 5 13 17 4 1 4 6 8 4 7 4 6 22 18 9 4 4 4 3 3 4 7 5 7 4 8 45 19 7 6 4 2 3 3 4 3 7 8 6 19 10 14 17 21 18 26 14 31 16 53 76 30 40 5 14 5 4 8 33 8 6 5 4 3 5 11 15 9 9 18 6 31 18 15 7 7 5 5 2 3 2 4 6 8 5 6 8 8 3 6 7 6 15 8 3 8 16 7 10 14 9 11 4 8 6 16 16 9 4 7 35 10 7 21 17 63 17 25 7 7 5 19 26 4 4 12 5 5 2 1 1 1 1 2 7 3 1 1 1 2 1 1 1 2 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 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 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 0 1 2 2 1 1 3 2 1 3 4 3 1 4 9 4 0 4 10 5 9 27 24 37 100 53 10 6 12 7 4 10 42 21 92 23 7 3 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 6H | 74 73 dt 1H J 9 20 | 72 71 ddt 1H J 9 20 87 | 70 70 d 1H J 86 | 70 69 dt 1H J 9 87 | 67 67 m 2H | 45 44 h 1H J 58 | 42 41 dt 1H J 66 117 | 41 40 dt 1H J 66 117 | 30 29 tt 2H J 7 86 | 28 27 qt 2H J 9 71 | 27 26 t 2H J 86 | 23 22 m 1H | 23 22 s 3H | 20 19 dtd 1H J 57 66 141 | 14 13 d 3H J 59 | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC#CCOc1cc(OC(C)C(C)(C)Cl)ncn1
ir: 5 4 4 5 6 6 3 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 3 5 5 4 4 4 4 4 4 4 5 9 10 25 24 5 7 8 5 4 4 6 4 3 4 5 4 3 5 8 4 7 6 5 4 3 4 5 4 4 5 10 39 82 12 6 8 14 23 10 4 4 5 5 4 4 10 15 5 3 4 5 4 4 4 9 8 5 5 5 3 5 5 4 4 5 5 4 3 4 5 4 3 4 5 7 5 5 6 5 5 6 5 5 4 7 7 5 4 5 6 5 3 5 5 4 4 7 8 5 4 4 7 4 4 4 4 4 5 32 27 8 5 5 4 3 4 4 4 3 4 4 4 3 4 0 100 21 5 3 4 4 4 4 4 3 4 4 4 3 4 5 4 3 4 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 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 4 4 5 5 4 4 5 5 3 5 6 5 4 6 12 11 8 5 12 12 5 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 84 83 d 1H J 14 | 61 61 d 1H J 14 | 50 49 t 2H J 25 | 48 47 m 1H | 23 22 qt 2H J 26 80 | 16 16 d 3H J 14 | 16 16 d 3H J 14 | 14 13 d 3H J 60 | 12 11 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C(O)Cc1cccc(N)c1
ir: 8 8 14 3 3 5 4 6 3 6 2 9 9 4 6 4 3 2 12 3 3 2 2 5 2 4 1 3 1 4 6 5 2 1 1 1 1 3 1 1 2 1 1 1 1 5 7 7 10 1 1 1 1 1 1 3 2 1 4 1 1 2 3 1 3 4 9 9 7 1 2 3 1 1 1 0 5 1 1 3 10 17 3 2 3 3 2 16 75 8 14 7 7 2 0 2 2 1 2 1 1 1 0 1 15 6 5 4 6 2 1 0 1 0 1 0 0 1 2 5 4 3 1 1 1 1 1 3 0 6 2 2 1 0 0 0 0 0 0 1 3 2 2 3 4 4 1 1 0 1 1 1 12 26 11 5 3 21 6 2 2 2 30 7 1 0 0 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 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 1 1 1 1 4 3 2 7 5 2 78 19 3 1 0 1 1 4 27 3 1 1 0 0 1 0 0 2 6 7 2 1 0 0 0 1 0 1 2 8 92 100 3 2 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 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 m 1H | 69 69 ddq 1H J 10 21 84 | 65 65 m 2H | 44 43 td 1H J 58 71 | 37 37 d 1H J 59 | 35 35 s 2H | 31 31 ddt 1H J 8 72 138 | 29 28 ddt 1H J 9 72 137 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](NC1=C[C@@H](c2cccc(OC(F)(F)F)c2)N(c2ccc(Br)cc2)C1=O)c1ccccc1
ir: 0 3 9 3 3 2 5 3 4 5 8 16 8 13 8 4 10 7 15 6 11 4 8 5 5 8 7 3 8 10 3 10 8 5 4 6 4 6 6 2 10 33 8 21 8 4 3 6 7 2 2 1 4 6 27 16 2 3 2 3 4 3 1 3 7 12 12 8 10 8 3 1 3 2 2 2 3 2 2 4 5 2 3 4 4 3 7 2 4 8 7 5 2 2 2 3 7 9 13 22 17 17 6 5 3 3 1 3 2 9 1 3 6 13 11 5 5 2 2 5 6 3 7 4 7 6 2 6 11 12 33 6 2 2 3 18 2 1 1 3 8 19 36 6 29 7 5 9 8 4 5 24 24 8 4 23 1 1 6 4 2 6 2 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 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 2 1 1 1 2 0 1 2 2 2 2 3 2 2 5 14 44 100 41 9 4 2 2 3 1 1 2 1 1 1 1 2 1 1 1 1 1 1 4 11 7 21 80 14 18 3 3 3 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 m 2H | 74 74 s 1H | 74 74 s 1H | 74 73 m 1H | 73 72 m 5H | 72 72 m 3H | 71 71 d 1H J 49 | 54 54 m 1H | 48 47 dq 1H J 57 80 | 39 39 d 1H J 78 | 15 15 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)CCc1ccc(NC(=O)OC(C)(C)C)cc1
ir: 3 5 5 3 1 2 0 2 2 3 5 7 24 17 3 1 2 1 2 3 4 4 1 2 4 14 5 19 15 8 23 13 11 14 9 7 5 4 7 3 1 1 1 1 1 1 1 1 2 2 4 4 4 10 5 13 15 16 9 3 3 2 5 2 2 2 1 1 1 15 2 1 4 2 1 1 1 2 1 1 0 0 1 0 1 1 1 3 1 2 1 1 1 1 2 1 4 18 8 7 1 3 9 49 13 4 7 11 4 7 7 1 1 4 3 8 3 4 3 6 10 5 5 4 3 9 4 11 8 4 9 9 6 5 1 2 2 1 2 3 3 4 22 13 12 3 2 3 16 39 33 98 48 23 12 3 1 2 3 1 1 1 10 2 7 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 0 0 1 0 0 0 1 1 2 2 2 2 3 4 2 2 2 3 4 5 3 6 16 15 20 30 21 22 11 5 8 3 3 2 0 2 2 1 0 1 1 0 0 2 1 1 0 3 5 9 100 40 9 7 2 0 0 1 1 0 0 1 1 0 0 1 0 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 0 0 0 0 0 0 0; 1HNMR: 76 76 s 1H | 73 73 m 2H | 72 71 dt 2H J 9 79 | 28 28 ddq 2H J 9 80 98 | 27 27 m 2H | 26 25 dq 1H J 68 137 | 15 14 s 8H | 11 11 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)C[C@@H]1CSC(c2cc3cc(Cl)cc(NC4CCCC4)c3[nH]2)=N1
ir: 11 6 1 5 4 3 1 3 4 9 12 23 21 12 33 14 3 22 8 12 15 19 13 8 3 14 11 2 8 4 3 18 3 2 2 2 1 5 12 3 3 5 2 1 2 3 3 3 4 7 11 2 2 1 1 0 1 2 2 1 2 3 4 3 3 1 5 4 7 3 2 1 3 7 3 3 5 5 2 1 4 4 3 1 2 2 1 1 1 1 4 1 4 2 1 2 2 2 4 18 10 3 6 3 2 9 14 2 13 12 6 13 13 14 16 4 3 3 2 4 4 6 5 3 21 9 6 2 3 2 5 4 13 3 1 8 12 15 25 6 6 18 10 11 6 13 12 28 4 4 3 2 2 1 1 1 1 1 3 7 17 0 16 5 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 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 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 5 3 4 2 2 3 4 7 6 16 7 5 20 11 7 5 1 2 5 2 1 2 1 1 1 1 1 1 1 1 1 1 2 3 4 23 31 26 38 100 12 8 12 2 2 2 2 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1; 1HNMR: 100 100 s 1H | 74 74 t 1H J 22 | 72 72 d 1H J 22 | 67 67 d 1H J 22 | 47 46 m 2H | 42 41 dp 1H J 36 71 | 36 35 dd 1H J 38 115 | 33 33 dd 1H J 58 115 | 29 29 s 5H | 28 27 dd 1H J 77 143 | 25 25 dd 1H J 78 145 | 21 20 m 2H | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1Oc1ccc(C#N)cc1NC(=O)Nc1nccs1
ir: 4 3 4 3 5 5 5 5 5 1 3 4 4 2 5 3 4 3 3 5 2 5 2 4 3 2 1 6 2 1 2 3 1 0 3 2 9 14 9 7 2 6 22 10 6 2 2 1 2 2 3 2 2 1 3 8 10 1 1 1 1 1 1 2 1 0 2 2 4 12 9 4 8 8 17 3 2 1 2 1 0 1 2 2 0 2 21 4 5 1 2 1 1 1 5 7 5 2 2 2 0 14 8 3 1 3 3 16 12 2 2 1 1 1 1 1 2 5 4 2 1 2 1 2 3 7 8 6 20 7 4 3 1 1 2 3 9 5 6 2 1 2 4 5 6 4 4 4 6 10 6 8 4 1 14 2 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 2 1 2 1 1 1 1 0 1 1 1 2 2 2 1 5 11 17 100 29 33 7 4 3 0 1 2 1 1 1 1 1 2 1 1 1 1 2 1 2 3 7 18 9 3 1 2 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 86 s 1H | 80 80 d 1H J 22 | 75 75 d 1H J 44 | 75 74 dd 1H J 22 84 | 72 72 td 1H J 12 78 | 72 71 d 1H J 46 | 71 71 m 2H | 70 70 td 1H J 12 77 | 69 69 dd 1H J 13 78 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Nc1nc(Cl)nc(N2CC3CCC(C2)O3)c1NC(=O)CCN(C)C
ir: 3 9 2 2 2 2 0 2 3 6 2 3 5 2 2 5 19 3 6 7 6 3 9 4 5 6 6 7 9 6 4 4 7 3 7 3 11 5 42 31 19 39 20 32 33 7 8 0 8 12 7 6 6 5 5 7 2 5 3 4 9 3 7 7 6 1 2 3 3 3 3 2 1 3 5 2 2 4 4 3 8 9 3 0 4 4 5 7 9 6 4 8 6 5 2 6 3 2 3 6 3 2 1 2 10 2 3 7 5 2 6 4 3 5 1 2 2 13 17 8 4 9 10 2 3 3 2 3 4 4 1 2 3 3 2 2 3 2 6 59 25 5 100 59 7 23 21 4 2 5 2 1 1 3 5 12 39 5 1 3 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 2 3 3 2 2 3 3 4 4 6 12 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 2 11 8 18 8 8 9 30 8 12 12 4 2 3 2 2 1 1 2 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 91 90 s 1H | 64 64 d 1H J 77 | 44 43 dp 1H J 60 77 | 42 42 ttt 2H J 13 22 35 | 39 39 dd 2H J 31 134 | 38 38 dd 2H J 32 133 | 27 26 m 2H | 26 25 m 2H | 23 23 s 5H | 21 20 m 2H | 18 17 m 2H | 13 12 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C=C1CCCC(c2ccc(Cl)cc2Cl)C1=O
ir: 2 1 1 1 3 4 3 4 3 7 1 4 3 2 5 2 14 6 6 2 2 1 1 1 2 1 2 5 7 7 1 1 2 2 1 2 1 1 1 3 1 6 12 6 11 33 14 3 4 6 5 7 33 46 4 6 4 1 2 2 2 7 11 13 4 5 36 28 6 2 3 3 2 1 2 2 3 1 2 2 1 2 6 5 5 6 2 7 2 6 25 25 18 12 7 9 6 1 4 8 1 3 3 8 18 27 11 7 4 5 3 2 14 9 5 4 5 4 13 16 4 4 46 8 4 2 3 10 4 4 5 13 5 11 9 2 1 2 1 4 12 2 2 2 6 9 38 17 56 16 2 26 85 1 1 2 1 1 1 2 26 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 1 1 1 1 1 2 1 1 2 3 3 3 3 3 4 7 8 2 12 23 41 100 34 7 3 4 2 1 2 5 0 1 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 75 dp 1H J 9 20 | 74 74 d 1H J 21 | 74 73 dd 1H J 7 87 | 73 72 dd 1H J 21 87 | 39 39 m 1H | 31 30 d 6H J 11 | 26 24 m 2H | 22 21 m 1H | 20 18 m 2H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCC(N)C(=O)OC
ir: 0 1 3 1 0 2 5 2 2 3 3 3 9 5 4 1 2 2 2 2 2 2 2 2 3 7 4 3 2 3 3 1 1 1 2 1 1 2 2 1 2 3 2 1 1 2 2 2 1 2 2 1 2 4 5 3 11 9 4 4 6 3 3 21 29 15 26 19 26 23 20 45 12 13 11 13 43 100 75 6 3 6 14 23 8 13 4 1 3 5 2 3 2 2 2 3 7 17 3 3 4 3 1 3 3 10 14 3 2 2 1 2 4 2 2 6 6 6 8 8 8 16 8 15 11 7 1 9 18 5 9 19 29 47 35 38 15 10 8 3 3 3 5 7 7 17 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 3 3 3 2 7 8 11 8 4 10 6 8 4 3 3 4 6 7 3 3 2 2 4 7 8 19 12 44 62 50 12 11 3 17 20 23 7 1 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; 1HNMR: 57 56 m 1H | 54 54 d 2H J 59 | 51 50 ddt 1H J 12 24 161 | 50 49 ddt 1H J 15 22 108 | 37 37 s 2H | 35 34 tt 1H J 43 59 | 23 21 m 1H | 21 20 m 1H | 19 18 m 1H | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](C(=O)N[C@@H]1Cc2ccccc2C[C@H]1O)c1ccccc1
ir: 5 4 4 3 9 4 15 13 6 10 10 5 8 12 3 11 7 1 2 2 3 4 2 12 7 3 5 3 3 3 6 15 7 2 10 3 21 13 8 6 7 57 31 15 17 2 2 5 2 0 10 2 4 4 1 1 1 0 1 1 1 1 1 2 0 7 3 2 5 3 3 9 4 4 9 3 1 1 4 7 2 1 1 2 2 1 1 2 11 21 15 4 6 10 24 24 12 4 1 3 0 1 6 4 0 2 9 3 2 1 1 1 2 2 5 5 5 1 2 4 1 3 2 1 1 1 2 2 4 4 9 2 2 2 1 38 2 2 8 2 3 6 6 13 9 19 40 54 13 20 1 2 3 1 2 1 1 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 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 1 0 1 1 1 1 1 2 2 0 2 2 4 2 6 11 10 9 7 33 42 4 11 20 100 12 8 27 7 3 1 1 1 1 1 2 2 1 2 1 3 5 16 70 12 3 2 4 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 72 71 m 2H | 71 70 m 2H | 68 68 d 1H J 92 | 41 41 tdd 1H J 41 57 68 | 40 40 d 1H J 57 | 39 39 m 1H | 37 36 m 1H | 32 31 ddd 1H J 8 40 150 | 30 29 ddd 1H J 8 42 155 | 28 27 dddd 2H J 8 49 68 152 | 14 13 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]ccc2c3c(ccc12)N=CC3CCNCc1ccccc1
ir: 0 7 1 1 1 2 3 1 1 5 7 14 2 2 1 1 2 2 3 8 4 1 1 17 4 2 2 2 12 7 29 4 31 11 7 6 6 8 14 12 59 5 27 12 17 9 41 32 54 17 5 7 2 2 6 7 11 2 2 0 2 6 17 14 14 7 7 10 22 8 3 2 5 7 19 2 3 2 2 1 1 1 1 1 7 1 1 0 3 14 2 4 7 6 8 3 6 10 6 4 4 7 19 2 2 2 7 21 42 30 5 9 14 7 12 8 33 3 3 7 9 8 3 2 3 2 2 6 12 12 6 8 15 9 11 24 34 49 24 11 4 11 18 5 3 4 7 15 27 5 12 25 7 1 2 43 1 1 9 62 5 3 85 3 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 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 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 2 1 1 3 8 2 7 6 13 10 30 100 38 22 36 14 9 7 2 2 2 2 1 1 1 2 2 3 6 6 18 68 17 12 10 53 45 10 6 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 98 97 d 1H J 60 | 80 80 d 1H J 87 | 75 74 dt 1H J 10 80 | 74 72 m 6H | 71 70 m 2H | 40 40 dt 1H J 54 82 | 39 38 dd 2H J 10 53 | 37 37 p 1H J 52 | 30 29 dq 1H J 52 136 | 29 28 dq 1H J 51 136 | 24 23 dqd 1H J 9 53 124 | 22 21 dqd 1H J 9 52 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](c2nccs2)C1
ir: 9 2 2 4 5 3 2 2 4 4 3 7 5 3 3 3 4 3 2 3 2 1 1 2 1 1 4 7 3 2 3 2 3 1 1 1 2 6 11 35 4 3 3 2 1 3 2 7 3 11 19 15 7 5 3 4 21 39 23 12 7 14 20 12 1 1 3 5 1 0 2 4 5 15 12 5 5 3 4 3 1 1 9 10 15 5 33 28 38 16 14 12 26 13 8 4 5 9 18 19 4 17 20 13 14 12 34 34 10 6 8 8 9 8 22 15 9 13 13 18 46 38 23 20 10 8 18 14 24 37 17 46 37 2 5 3 2 1 1 2 2 2 2 2 4 11 8 12 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 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 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 5 5 3 7 13 14 15 18 8 7 5 13 13 19 27 35 66 100 48 13 52 75 20 31 4 2 3 9 23 11 4 2 2 2 2 2 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 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 1 0; 1HNMR: 78 78 d 1H J 46 | 71 71 d 1H J 48 | 42 41 dd 1H J 26 129 | 41 40 dtd 1H J 33 59 77 | 39 38 dd 1H J 54 129 | 37 37 d 1H J 59 | 37 36 ddd 1H J 64 92 123 | 34 33 m 2H | 22 21 ddt 1H J 62 92 125 | 20 19 dddd 1H J 33 65 95 129 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(O)nn1Cc1c(C)cccc1C
ir: 1 8 11 44 7 5 3 8 3 5 3 5 7 7 24 16 9 4 4 2 2 4 6 4 11 36 11 4 2 4 4 5 8 2 3 2 5 6 1 3 2 1 4 4 3 1 44 0 3 6 6 3 2 2 1 1 3 6 2 3 7 4 3 2 3 3 2 2 5 4 8 22 7 19 25 11 3 3 2 2 10 70 16 5 3 2 2 2 2 2 2 2 3 11 3 3 2 2 2 4 4 2 2 1 2 1 2 3 2 3 1 2 3 5 14 4 5 4 5 6 3 10 4 2 3 3 3 2 6 5 12 3 1 13 2 2 2 4 2 6 21 85 24 5 4 1 1 3 3 1 49 1 0 3 2 1 4 6 5 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 3 2 2 1 2 2 2 2 2 3 3 3 2 8 10 3 2 40 19 19 10 3 3 1 4 17 100 12 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 96 95 s 1H | 71 70 dd 1H J 72 81 | 70 69 d 2H J 77 | 62 62 s 1H | 56 56 s 2H | 38 38 s 3H | 23 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O
ir: 0 1 7 3 6 1 2 2 0 1 1 1 1 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 1 14 3 1 14 59 74 10 2 2 1 0 2 1 0 0 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 0 1 3 1 3 2 2 4 2 2 1 1 1 2 2 1 1 2 3 2 0 0 0 2 0 1 0 0 0 1 0 0 1 1 1 1 1 2 1 1 1 1 2 2 5 5 4 3 7 1 5 15 9 25 42 10 16 9 8 5 4 2 5 5 7 2 1 2 2 1 1 3 4 6 2 1 1 1 1 0 3 11 100 32 1 2 10 2 1 0 0 0 0 0 1 2 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 2 2 2 2 4 4 3 2 4 4 4 7 7 12 7 21 40 15 5 1 5 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; 1HNMR: 81 80 m 2H | 78 77 dd 2H J 35 60 | 53 53 ddp 1H J 13 51 81 | 34 33 dtt 2H J 10 20 68 | 22 22 t 3H J 10 | 20 19 m 2H | 17 16 q 3H J 10 | 16 10 m 20H | 9 8 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)c1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
ir: 0 2 2 3 18 3 4 2 2 6 5 3 1 7 33 2 3 4 4 6 8 4 4 2 2 5 4 4 7 5 2 12 6 11 4 7 1 2 2 2 4 2 1 1 4 3 1 1 1 2 3 2 11 39 30 49 18 9 3 2 3 3 5 2 19 2 1 1 5 4 3 6 8 28 5 9 3 4 2 3 17 16 3 15 5 5 11 15 4 9 6 2 4 3 2 3 3 3 5 5 4 4 2 2 17 2 2 2 2 1 4 100 7 3 2 3 5 2 0 3 5 5 2 4 10 7 1 23 12 13 9 7 9 5 2 7 44 1 2 3 3 6 24 4 8 2 3 11 6 9 3 4 3 1 1 2 2 1 2 7 8 19 4 6 15 2 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 1 2 2 1 1 2 2 1 2 5 2 3 7 0 23 19 24 32 32 4 2 5 2 1 2 2 2 1 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 87 87 m 2H | 80 79 dd 1H J 13 91 | 77 77 m 2H | 76 75 m 2H | 73 73 dd 1H J 66 92 | 72 71 m 2H | 70 69 dd 1H J 13 68 | 34 33 q 4H J 65 | 12 11 t 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)c1nc(-c2ccccc2Cl)ns1
ir: 1 2 1 1 2 3 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 6 4 1 1 3 3 1 1 1 3 5 5 11 2 3 4 4 11 6 3 2 4 1 1 3 2 2 1 2 5 2 1 1 3 4 11 19 13 5 3 5 7 11 31 5 15 48 80 44 71 45 44 34 26 7 10 13 14 10 6 6 12 8 7 2 3 3 3 2 1 2 1 1 2 2 2 3 4 4 1 4 2 3 3 4 1 5 3 2 6 13 54 90 51 100 29 10 3 14 6 4 2 3 2 5 5 11 8 6 3 3 9 7 3 2 27 7 0 1 2 2 2 4 13 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 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 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 2 5 1 2 2 3 5 4 4 15 21 19 3 2 3 2 4 2 4 7 4 5 5 4 2 3 5 36 30 24 17 13 45 92 10 0 0 2 1 2 1 2 4 6 6 4 5 3 2 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 13 92 | 76 75 dd 1H J 15 77 | 75 75 ddd 1H J 14 73 90 | 75 74 td 1H J 14 75 | 47 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C)c(-c2cc(Cl)nc(N)n2)c1
ir: 2 2 2 3 1 2 1 2 2 3 4 2 3 3 2 2 0 1 2 3 4 3 2 2 2 3 2 2 1 1 2 1 1 4 3 4 5 9 6 11 4 6 4 3 2 2 1 1 1 1 2 3 11 4 2 1 1 0 1 1 1 1 1 2 2 7 12 14 2 2 1 1 2 2 1 1 1 1 0 2 2 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 2 1 2 1 0 1 2 1 2 3 3 4 4 8 20 28 27 37 37 10 5 3 6 4 2 2 15 13 2 1 1 4 4 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 5 12 8 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 7 18 16 6 3 1 1 1 1 0 1 2 4 62 100 1 3 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 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 0 1 0 0 0 1; 1HNMR: 74 74 m 1H | 73 73 s 1H | 72 71 m 1H | 71 71 m 1H | 61 61 s 2H | 25 24 d 3H J 10 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCOc1cccc(C(C)=O)c1
ir: 4 4 6 5 7 4 4 4 8 8 10 6 5 4 4 2 5 3 1 4 9 10 8 12 9 10 32 7 4 2 12 49 33 27 20 4 5 3 3 7 5 4 4 4 5 7 14 29 33 4 3 6 7 9 5 5 3 0 3 4 2 1 3 8 5 10 31 17 15 5 14 7 7 4 6 7 3 5 14 3 4 10 11 3 1 1 2 2 1 1 2 3 2 7 24 4 2 2 4 2 1 1 3 3 13 5 9 13 20 14 18 17 9 12 16 9 12 4 16 17 12 6 8 10 18 15 3 16 61 6 13 4 3 4 4 6 5 8 12 53 62 18 13 12 78 25 6 2 1 7 6 2 6 9 3 2 4 12 3 1 2 5 9 2 2 3 2 1 1 3 1 0 2 3 2 0 1 3 1 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 0 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 3 1 0 2 2 1 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 3 3 2 2 3 4 4 7 3 4 5 7 8 5 3 8 8 10 2 19 13 32 34 35 87 100 41 10 11 10 4 5 2 2 2 2 2 2 2 2 3 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 76 ddd 1H J 9 21 79 | 74 73 m 2H | 70 69 ddd 1H J 11 18 82 | 40 40 t 2H J 63 | 26 26 s 2H | 18 17 m 2H | 15 14 m 2H | 14 12 m 5H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCOc1cc2c(c(F)c1F)C=NC(C(C)C)C2
ir: 6 3 0 1 3 1 1 3 6 4 9 13 11 2 1 5 7 3 1 2 2 1 1 2 3 7 4 5 3 3 2 4 4 1 0 2 1 1 3 4 3 1 1 1 6 14 3 4 3 0 3 10 8 4 5 11 8 21 3 3 3 5 2 4 2 2 12 9 24 21 19 8 13 5 4 4 4 8 6 12 4 7 21 4 2 2 1 2 1 1 2 1 1 1 1 2 2 5 15 31 5 4 3 6 8 4 21 16 5 16 5 3 2 13 6 10 4 7 2 6 13 10 7 9 16 8 8 2 1 3 3 3 2 7 2 2 6 5 1 1 1 1 1 1 9 2 1 1 1 1 1 8 2 2 9 5 1 2 2 0 4 100 26 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 3 4 6 9 3 5 2 2 10 3 3 3 18 30 17 8 28 8 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 dd 1H J 17 47 | 67 66 dt 1H J 10 44 | 42 41 t 2H J 63 | 36 35 t 2H J 64 | 35 34 qdt 1H J 15 32 80 | 33 33 s 2H | 30 30 ddd 1H J 8 81 128 | 28 27 ddd 1H J 8 81 128 | 21 20 p 2H J 63 | 18 17 dhept 1H J 63 79 | 10 9 dd 3H J 15 62 | 9 9 dd 3H J 15 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCN(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)CC1
ir: 6 4 4 14 6 3 2 4 2 7 4 3 3 5 4 2 2 1 2 3 8 3 4 2 3 5 5 5 7 7 9 5 5 10 19 53 23 8 12 9 46 27 10 10 34 87 80 83 17 26 10 8 17 60 24 12 6 4 15 4 7 8 2 2 3 2 5 9 3 8 17 2 1 3 5 3 5 2 1 1 1 1 1 1 2 3 5 2 2 5 2 2 1 2 4 15 9 17 6 3 2 2 4 6 2 1 3 5 7 12 8 4 6 5 3 2 1 3 9 10 14 6 12 8 6 8 3 1 2 2 6 3 4 6 3 4 7 4 7 36 14 9 6 3 38 46 15 13 100 25 39 18 35 17 16 6 6 24 12 33 35 15 55 5 3 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 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 0 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 1 1 0 1 1 1 0 1 1 2 1 4 3 5 5 3 2 2 1 3 3 7 6 18 40 27 42 9 1 2 3 1 0 1 2 1 1 1 1 2 1 3 2 4 3 8 4 11 31 85 29 8 3 5 3 2 2 1 1 1 2 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 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; 1HNMR: 97 96 s 1H | 91 91 d 1H J 79 | 91 90 s 1H | 86 86 d 1H J 19 | 79 78 dd 1H J 16 83 | 77 76 dd 1H J 19 80 | 75 75 td 1H J 16 80 | 73 72 dd 1H J 14 79 | 71 70 td 1H J 14 79 | 36 36 m 4H | 26 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(N(CC(F)F)C(=O)C(F)(F)F)c2cccc(Br)c21
ir: 18 26 20 15 14 19 16 35 12 12 13 12 17 22 22 21 11 12 13 24 11 11 19 46 25 12 13 12 19 15 12 10 13 13 17 18 44 19 16 20 15 11 11 13 13 17 17 44 42 17 11 9 11 12 12 12 13 11 12 10 11 12 13 14 21 14 10 14 12 15 16 12 19 20 16 36 16 31 12 10 11 11 10 10 11 11 16 16 14 16 29 11 15 24 17 13 17 20 38 100 28 12 10 14 17 11 12 12 12 11 9 10 12 10 9 10 13 14 20 16 15 16 41 20 12 11 11 75 35 70 23 69 24 9 9 13 25 13 14 14 24 38 11 40 17 7 6 19 36 10 0 37 0 23 15 3 16 16 11 8 9 13 10 7 9 12 10 8 9 11 10 8 10 11 9 8 9 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 9 9 9 10 9 9 9 9 9 9 9 10 9 9 9 10 9 9 9 9 9 10 9 9 9 10 9 9 10 9 10 9 9 10 9 9 10 10 9 9 9 9 9 9 9 10 9 9 9 10 9 9 10 10 9 9 9 10 9 10 10 10 10 11 11 13 10 10 11 11 14 16 14 14 12 13 11 14 12 23 24 28 73 44 15 17 14 11 11 10 10 10 11 11 9 10 10 10 9 10 10 10 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 10 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10 9 9 9 10; 1HNMR: 79 78 dd 1H J 12 83 | 75 74 dd 1H J 12 72 | 73 72 dd 1H J 72 83 | 63 63 t 1H J 42 | 43 42 td 2H J 41 171 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Oc1ccc(-c2nc3ccc(N)nc3nc2-c2ccc(OC(C)=O)cc2)cc1
ir: 9 3 12 7 6 2 2 6 7 4 7 5 4 8 26 3 6 3 5 14 31 24 13 5 6 0 6 11 15 11 14 5 4 3 8 6 3 1 2 3 2 3 2 2 2 2 2 4 1 3 2 6 12 34 80 5 21 32 6 3 5 6 4 7 5 6 17 11 18 8 4 3 3 5 2 3 3 5 2 1 1 1 1 1 2 1 2 1 16 5 2 2 1 5 3 1 1 5 7 24 31 3 7 8 9 8 3 1 1 2 70 2 3 3 1 2 1 4 7 35 20 14 4 18 17 16 14 3 4 9 2 2 1 3 3 2 2 5 44 8 2 8 16 19 22 9 7 25 26 49 61 22 20 4 16 33 11 2 2 2 2 14 9 4 1 1 1 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 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 0 1 1 1 2 2 1 2 1 1 2 1 2 4 2 3 4 4 6 6 6 33 63 63 5 4 5 5 4 3 3 4 1 1 1 1 1 1 3 5 13 67 6 1 2 1 2 1 1 2 1 2 80 100 7 2 3 3 2 1 1 1 1 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; 1HNMR: 80 79 m 5H | 73 73 m 4H | 70 69 d 1H J 82 | 69 68 s 2H | 23 23 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(Cc2nc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)nc3c2COCC3)c1
ir: 4 2 2 3 6 6 1 1 3 2 7 6 4 4 2 7 3 2 1 2 2 2 5 3 5 2 6 6 3 9 6 9 7 1 49 1 26 15 7 6 11 3 3 1 3 7 17 18 8 1 3 7 3 4 13 7 11 3 3 9 3 3 3 4 6 13 5 17 31 22 11 4 4 12 12 32 8 16 7 6 3 2 7 2 2 1 2 1 2 16 16 3 19 4 6 4 13 4 5 7 1 3 4 2 2 3 8 36 35 34 4 3 2 4 9 5 11 18 22 14 28 13 31 11 5 7 8 13 4 36 2 5 2 2 2 3 2 3 5 3 7 18 7 18 4 3 2 3 1 1 2 2 5 3 7 26 3 1 2 1 3 6 15 1 17 4 1 8 33 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 2 2 2 5 6 4 4 6 8 10 8 8 9 5 13 5 9 34 50 19 18 100 49 34 8 6 3 2 3 4 2 2 2 1 2 1 2 1 1 1 1 1 2 2 21 21 10 2 8 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; 1HNMR: 83 83 s 1H | 79 79 d 1H J 16 | 77 76 d 1H J 80 | 75 74 m 1H | 73 72 m 2H | 70 70 m 1H | 69 68 m 3H | 49 49 s 2H | 41 40 d 2H J 9 | 39 39 dd 2H J 44 52 | 39 39 s 3H | 38 38 s 2H | 29 28 m 2H | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C[C@H](N)CS
ir: 1 1 1 2 2 1 1 1 1 3 1 1 0 1 0 0 1 0 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 2 5 4 1 4 5 2 11 11 5 14 10 5 6 5 3 2 1 3 7 3 4 17 39 17 16 9 4 1 3 6 14 14 12 2 1 3 2 9 14 9 6 12 14 3 3 5 9 4 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 2 2 2 2 1 1 2 3 4 3 4 3 1 5 4 2 3 4 2 4 0 11 46 54 31 6 3 6 4 2 1 1 1 1 0 1 1 1 1 0 1 0 0 0 1 0 0 1 1 1 1 1 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 0 1 1 4 46 26 1 1 1 1 1 1 1 1 0 0 0 1 0 1 1 1 1 1 1 1 2 3 2 2 2 3 1 2 1 2 1 7 3 2 2 1 1 1 1 1 0 0 1 1 2 1 6 13 9 25 22 7 3 4 4 1 100 92 4 3 3 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 31 30 m 1H | 26 25 ddd 1H J 37 60 128 | 24 23 ddd 1H J 37 60 128 | 17 16 t 1H J 60 | 17 15 m 3H | 15 14 ddd 1H J 60 70 139 | 13 12 ddd 1H J 60 70 139 | 9 9 d 3H J 71 | 9 8 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)CC(F)(F)F)cc3)cn2n1
ir: 4 3 1 4 4 4 9 23 35 11 5 4 2 3 5 8 7 10 3 5 6 9 14 5 3 4 2 1 1 2 2 1 3 4 4 3 2 3 4 3 2 17 20 47 10 13 13 10 8 2 2 3 3 24 6 15 15 28 13 4 5 1 1 1 1 1 1 2 3 11 6 6 3 4 6 11 3 2 1 0 1 1 1 2 1 2 3 2 4 2 5 2 7 12 2 3 4 12 12 6 5 8 4 21 49 19 7 2 1 1 1 2 1 1 3 2 4 4 5 8 23 7 13 8 13 20 17 9 5 2 2 4 7 17 17 12 3 10 11 3 2 5 3 7 10 8 70 84 34 20 10 8 29 24 12 11 3 1 2 3 2 2 7 1 1 0 1 1 1 0 1 0 1 0 0 4 1 0 1 1 0 0 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 2 1 0 1 1 4 3 16 11 4 1 1 3 2 2 10 24 25 39 100 88 94 13 13 6 6 5 3 1 2 2 0 0 1 1 1 1 1 2 1 3 4 8 29 30 30 13 5 4 3 2 1 2 1 1 1 1 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 95 95 s 1H | 94 93 s 1H | 87 87 d 1H J 17 | 81 80 dd 1H J 14 91 | 78 78 d 1H J 90 | 77 77 dd 1H J 11 67 | 76 76 m 2H | 76 75 m 2H | 75 74 m 2H | 72 72 ddd 1H J 24 59 68 | 30 29 q 2H J 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CC)C(=O)Nc1c[nH]c2ncc(Br)c(F)c12
ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 14 2 6 1 1 1 1 2 1 1 3 5 1 2 2 2 1 2 1 2 1 2 4 6 2 2 2 2 2 5 21 100 9 3 3 2 1 1 1 1 1 1 1 1 1 1 1 3 3 7 8 2 2 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 2 1 7 1 1 1 1 8 4 1 1 1 1 1 3 2 1 1 1 6 18 5 2 1 1 1 2 2 2 2 2 4 2 1 1 1 1 1 1 1 6 1 1 1 1 1 1 1 1 1 9 1 4 1 3 2 17 3 1 1 1 1 2 10 6 9 45 8 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 4 3 2 1 1 1 1 1 6 4 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 7 27 38 47 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; 1HNMR: 94 93 s 1H | 84 84 d 1H J 48 | 79 79 d 1H J 65 | 25 24 ttq 1H J 15 45 77 | 17 16 m 2H | 14 13 ddd 2H J 65 73 135 | 10 9 td 6H J 15 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(OCC#N)ccc(Cl)c1N
ir: 23 18 10 13 22 10 11 11 4 3 4 3 4 17 10 2 4 6 8 2 6 3 3 4 3 2 5 3 2 2 2 3 4 4 1 2 3 4 6 14 7 3 1 3 2 1 2 2 2 2 3 3 5 8 11 3 3 2 5 3 3 3 2 3 3 2 2 4 2 3 3 2 2 2 1 2 1 1 1 1 2 3 4 3 8 10 6 4 2 1 1 1 1 1 1 1 1 5 5 1 2 4 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 4 2 41 54 1 2 5 5 26 100 41 37 25 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 2 2 4 4 7 10 6 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 19 36 6 1 1 1 2 1 1 3 2 0 3 32 25 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 d 1H J 88 | 66 66 d 1H J 86 | 49 49 s 2H | 45 44 s 2H | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1C(OS(C)(=O)=O)CCCC1(C)c1ccc(Cl)c(Cl)c1
ir: 10 17 42 35 20 26 36 41 11 6 2 2 2 2 4 6 7 4 1 1 2 1 2 2 1 1 1 4 3 0 0 4 1 1 7 9 2 0 0 2 1 0 1 2 2 19 4 5 16 6 13 20 4 12 14 31 23 17 16 6 2 3 3 3 3 9 10 36 16 19 22 25 25 31 11 8 8 6 7 5 19 16 7 5 5 4 5 12 82 9 8 8 7 3 6 3 13 10 32 44 36 49 37 13 16 7 21 5 0 3 6 11 7 4 10 6 4 7 14 25 9 15 31 8 5 7 14 15 9 7 5 6 8 28 9 17 9 8 14 5 1 4 3 4 85 1 2 1 4 17 16 4 2 2 5 7 1 1 1 0 1 4 11 2 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 2 1 2 2 1 1 1 2 7 12 11 3 3 7 3 4 3 4 7 6 11 19 94 46 28 32 100 30 15 18 19 8 5 8 3 2 1 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 d 1H J 79 | 73 73 d 1H J 23 | 72 71 dd 1H J 22 79 | 51 51 dt 1H J 55 83 | 37 36 s 2H | 35 34 dq 1H J 15 82 | 31 31 s 2H | 22 21 ddd 1H J 51 77 138 | 21 20 ddt 1H J 58 85 127 | 19 19 ddd 1H J 50 78 139 | 18 16 m 3H | 15 14 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(Nc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl
ir: 4 3 2 3 5 4 2 4 4 5 2 3 4 2 2 3 3 2 4 5 3 2 2 3 3 7 3 5 5 3 2 3 3 5 7 6 2 2 3 6 9 5 26 48 59 23 14 4 3 3 2 3 2 2 7 11 4 3 2 2 2 3 4 3 2 1 3 8 13 15 6 3 2 2 2 3 2 3 3 6 5 2 2 2 1 1 2 3 1 1 2 5 6 3 4 3 1 2 5 3 1 2 6 7 16 7 3 2 1 1 2 1 1 1 2 2 1 1 3 2 2 2 4 10 9 3 5 4 4 2 2 2 4 7 7 10 4 3 3 2 2 2 2 4 4 9 13 17 6 9 15 16 47 38 100 20 3 5 4 0 12 18 2 1 5 3 2 1 2 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 3 5 5 14 19 95 25 14 9 7 4 3 3 3 2 1 2 3 2 1 2 3 2 2 3 4 7 11 45 53 49 12 5 5 5 2 3 2 2 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 91 91 s 1H | 86 86 d 1H J 21 | 83 83 s 1H | 79 79 dd 1H J 21 87 | 77 76 d 1H J 87 | 74 73 m 2H | 73 72 m 2H | 70 70 tt 1H J 11 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(OCCN3CCC(Cc4ccc(Cl)c(S(N)(=O)=O)c4)CC3)cccc2n1
ir: 4 4 14 14 7 3 13 5 3 2 2 2 4 5 7 12 4 2 1 2 1 1 1 1 1 4 3 4 1 1 1 1 3 5 2 2 6 2 1 1 1 2 2 2 1 2 2 0 2 7 15 26 11 8 12 11 2 3 1 2 2 3 2 3 19 21 5 3 4 3 9 4 3 2 5 4 3 3 10 21 25 17 6 13 9 14 32 35 52 27 18 16 22 5 8 3 2 3 4 5 2 5 3 2 2 2 4 5 1 2 5 4 5 3 4 3 4 15 42 47 20 6 6 2 4 5 2 2 1 2 2 2 7 4 3 5 3 4 20 4 3 2 79 1 1 2 2 2 5 10 28 3 1 3 2 3 17 2 2 27 3 3 1 0 4 5 2 0 1 1 1 0 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 2 1 2 2 2 1 1 4 4 1 3 4 5 6 18 17 26 9 3 3 3 1 1 2 1 1 1 2 1 1 2 3 3 9 29 11 8 7 11 100 28 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 d 1H J 80 | 77 77 dd 1H J 14 77 | 77 76 dt 1H J 8 20 | 76 75 d 1H J 81 | 74 74 s 2H | 74 73 dd 1H J 75 84 | 73 72 ddt 1H J 9 20 82 | 71 71 dq 1H J 9 82 | 70 70 dt 1H J 8 85 | 42 41 t 2H J 59 | 30 30 t 2H J 59 | 30 29 ddd 2H J 54 82 121 | 29 28 ddd 2H J 55 80 120 | 27 27 d 3H J 7 | 27 26 dt 2H J 9 71 | 19 18 m 3H | 16 15 ddt 2H J 55 81 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccc(N4CCC[C@@H]4CO)nc32)c(OC)c1
ir: 12 14 2 6 10 12 4 21 13 9 4 10 8 21 14 16 11 5 2 11 15 6 6 22 45 32 10 12 10 2 3 6 7 4 5 6 12 5 3 8 5 6 5 8 8 9 16 97 100 16 10 14 15 2 15 21 18 4 6 9 4 2 5 10 7 5 25 17 10 6 6 6 4 0 6 8 9 48 15 6 5 23 28 8 11 29 26 17 9 24 12 10 8 23 29 20 13 11 15 13 8 5 10 9 10 11 9 5 3 8 11 5 6 8 10 4 5 8 9 6 2 5 7 4 3 5 8 4 4 13 44 6 6 11 14 19 4 5 6 13 12 5 9 78 39 12 12 45 10 11 17 4 7 12 34 32 14 9 6 10 26 7 18 28 37 15 7 1 3 6 3 0 3 6 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 4 4 1 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 1 4 5 5 3 5 4 4 3 8 8 18 4 11 46 36 12 13 22 8 20 18 20 24 26 11 6 3 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 88 88 d 1H J 9 | 82 81 d 1H J 84 | 72 71 dt 1H J 9 86 | 66 66 d 1H J 82 | 66 65 dd 1H J 23 87 | 65 64 d 1H J 23 | 54 54 d 2H J 9 | 40 38 m 2H | 38 38 d 6H J 40 | 37 35 m 2H | 35 34 m 2H | 21 20 ddddd 2H J 24 37 50 97 106 | 20 19 m 1H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC(c1ccc(Cl)cc1)c1c[nH]c2c(CSC)cc(F)cc12
ir: 18 5 3 3 1 3 3 2 1 2 11 12 3 3 12 5 2 1 3 8 5 6 6 4 6 15 10 70 18 2 5 30 3 6 4 1 6 5 3 2 3 13 6 3 1 0 1 1 1 1 1 4 6 20 100 31 6 3 5 3 4 2 4 14 5 3 12 17 10 9 2 1 2 4 6 3 1 3 0 0 1 1 3 8 2 2 5 6 2 2 2 5 13 44 7 8 4 6 14 23 39 4 21 12 15 12 5 2 2 2 3 5 4 9 6 17 9 5 4 7 7 12 6 2 5 9 3 3 4 5 4 3 9 10 21 12 5 3 3 3 2 2 17 55 72 15 20 10 6 1 2 5 40 24 2 1 1 9 1 0 0 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 0 0 1 1 1 2 2 2 1 2 1 2 2 4 4 5 3 3 3 5 11 28 8 22 64 63 32 34 31 8 2 1 3 2 1 1 0 1 1 1 1 1 1 1 1 1 5 6 17 17 45 11 41 3 9 1 0 0 2 3 1 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 73 | 74 74 dd 1H J 21 121 | 73 73 s 4H | 71 71 d 1H J 73 | 70 69 ddt 1H J 9 20 121 | 52 51 m 1H | 42 41 q 2H J 66 | 41 40 d 2H J 9 | 32 31 dd 1H J 79 168 | 29 28 dd 1H J 80 169 | 21 21 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.