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Cc1ncnc2c1c(NCc1ccco1)cc(=O)n2O
ir: 3 10 14 11 11 9 10 8 20 19 0 17 9 6 3 6 8 6 7 4 4 6 5 4 4 4 3 4 3 3 5 4 3 3 5 8 11 9 13 33 35 11 21 36 7 3 4 4 6 2 3 4 4 3 3 3 2 3 3 3 3 3 5 6 6 5 14 42 8 15 6 6 3 3 3 7 3 2 3 3 3 4 6 5 6 14 5 4 5 18 5 8 6 5 5 6 23 23 36 5 3 4 3 3 2 3 3 3 2 2 4 24 5 24 14 7 10 6 27 10 5 5 7 8 10 25 5 4 6 13 5 2 2 3 5 3 2 3 4 5 15 11 4 4 8 6 6 4 5 11 4 4 23 5 3 100 90 15 7 2 3 7 5 30 20 3 3 2 2 4 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 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 3 2 4 4 3 3 3 5 3 3 3 4 5 2 8 9 10 7 5 7 9 28 19 13 8 7 9 47 18 6 4 6 4 3 3 4 5 5 4 5 5 6 6 20 18 36 32 21 10 7 3 5 3 2 4 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 s 1H | 79 78 t 1H J 49 | 76 75 t 1H J 16 | 66 66 s 1H | 64 64 dd 1H J 16 50 | 63 63 ddt 1H J 9 17 50 | 46 46 dd 2H J 7 48 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(F)c2cccc(CBr)c2c1
ir: 1 1 1 0 1 0 0 0 1 0 0 1 1 1 3 3 1 3 4 4 1 1 1 1 1 2 1 1 1 1 1 1 1 1 4 6 1 1 1 1 1 1 4 13 9 3 1 0 1 1 1 2 6 3 1 0 1 0 1 0 1 1 2 0 2 9 17 25 21 4 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 2 3 3 1 1 2 2 1 1 1 1 2 3 2 5 5 3 4 1 2 1 1 3 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 2 1 1 1 1 2 2 3 5 6 3 1 1 1 0 0 18 15 1 1 1 1 5 4 1 1 0 1 5 15 100 7 3 3 6 6 0 1 1 1 0 7 2 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 2 2 2 1 1 2 2 2 8 6 24 62 32 21 5 4 2 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 80 79 dq 1H J 38 101 | 76 75 dd 1H J 21 122 | 74 74 m 2H | 71 71 td 1H J 22 121 | 46 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)cc(CN2CCC(c3c[nH]c4ccccc34)CC2)c2ccccc21
ir: 7 9 14 15 14 10 7 5 4 4 5 12 3 4 4 3 3 8 1 4 3 1 2 6 13 75 42 12 20 4 3 3 5 3 4 7 8 4 3 4 6 40 73 100 14 10 5 3 2 2 2 2 2 2 4 12 3 2 2 1 2 3 3 4 6 9 10 13 38 12 21 15 8 11 12 16 8 1 7 6 7 9 39 28 18 7 3 3 3 1 2 2 2 3 3 7 11 6 14 16 27 7 6 13 18 9 7 14 46 15 5 5 3 3 3 7 8 3 5 11 11 8 6 6 5 5 8 13 7 9 4 5 6 4 3 21 15 13 17 10 8 30 83 14 6 3 2 2 3 1 7 70 47 8 34 5 4 7 4 9 50 19 11 26 14 6 2 0 1 3 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 3 3 2 1 4 4 3 2 4 4 5 6 4 12 17 7 44 74 95 34 37 30 9 5 7 3 4 3 2 1 2 2 2 1 2 2 2 2 2 2 1 1 26 72 90 23 3 1 1 1 2 2 2 2 1 1 1 1 9 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 d 1H J 73 | 77 76 dd 1H J 16 84 | 76 75 m 1H | 76 75 td 2H J 15 77 | 74 74 dd 1H J 15 77 | 73 72 td 1H J 15 82 | 72 71 m 3H | 67 66 t 1H J 13 | 38 37 s 2H | 37 36 d 2H J 13 | 33 32 m 1H | 29 28 ddd 2H J 54 82 121 | 27 26 ddd 2H J 54 81 121 | 23 22 ddt 2H J 55 82 126 | 20 19 ddt 2H J 54 81 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](C)NC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3s1)n2C
ir: 1 1 2 2 4 1 3 1 1 2 4 1 2 1 2 2 2 2 5 7 7 5 4 1 5 1 3 2 2 4 8 3 4 3 3 1 7 1 1 0 4 20 30 2 2 1 0 0 0 1 1 0 1 1 7 3 4 1 1 1 1 3 0 1 1 0 1 2 2 4 3 1 1 2 1 1 1 1 4 1 1 1 3 0 0 0 0 1 1 0 0 0 1 1 0 0 5 3 2 20 6 16 4 1 0 1 1 1 1 2 1 2 2 1 3 1 2 2 2 3 5 10 8 4 8 5 1 5 4 1 1 1 1 0 7 1 0 0 1 2 7 6 25 40 14 2 4 47 4 2 9 4 3 12 100 3 2 3 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 2 2 2 2 4 6 4 10 6 4 2 1 0 0 1 1 1 0 0 1 1 1 1 1 1 3 3 1 5 4 6 13 84 30 2 4 4 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 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 21 | 78 78 m 2H | 78 77 dd 1H J 21 83 | 76 75 d 1H J 68 | 73 73 m 2H | 66 66 s 1H | 45 44 dq 1H J 62 84 | 37 37 s 3H | 37 37 s 3H | 14 14 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C(=O)O)c1ccc(O)cc1
ir: 3 6 6 6 6 16 17 10 8 7 8 5 4 12 18 32 30 13 17 13 41 100 59 8 8 8 4 4 4 3 1 3 3 4 6 4 2 4 3 4 2 2 1 2 4 2 3 3 2 5 5 3 2 5 19 14 21 18 5 1 2 2 2 1 1 2 8 6 2 7 4 6 6 5 6 4 6 28 88 50 96 61 35 12 5 6 4 9 27 22 15 17 8 4 5 8 17 5 4 2 1 1 2 2 0 2 4 4 2 3 4 4 19 18 6 2 3 4 5 10 9 7 5 6 10 6 4 5 12 14 5 3 1 2 2 1 1 2 4 3 1 6 69 77 17 4 4 6 77 1 4 6 41 52 1 3 2 0 1 2 1 3 3 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 2 3 2 2 2 1 3 3 3 2 2 2 3 1 3 2 6 4 3 6 5 29 42 51 60 13 5 4 3 3 26 74 81 31 5 2 2 1 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 99 98 s 1H | 73 73 s 1H | 71 71 m 2H | 67 67 m 2H | 38 37 m 1H | 15 14 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCOc1cc2c(c(F)n1)C(=O)C(c1ccc(O)cn1)CC2
ir: 1 1 3 2 4 3 2 3 2 4 2 3 13 13 5 4 1 2 2 1 7 2 3 2 1 2 1 3 2 3 2 1 1 2 2 4 4 4 20 2 2 3 4 2 14 4 2 0 3 2 2 2 3 8 6 2 2 2 3 0 1 2 2 1 1 16 2 8 7 10 3 2 5 2 1 3 1 2 1 1 1 2 1 16 20 5 2 4 3 2 3 32 3 2 1 1 4 4 4 9 3 2 1 1 11 3 2 1 7 6 4 3 2 3 9 3 2 2 4 4 3 2 3 6 7 7 0 5 2 1 1 12 6 10 2 5 8 3 1 2 5 2 1 2 3 1 38 2 2 7 2 2 2 100 3 2 2 2 2 24 11 3 1 0 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 4 5 2 2 2 1 1 4 3 2 5 10 4 5 11 9 4 3 2 3 5 12 23 4 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 s 1H | 80 79 d 1H J 19 | 74 73 m 1H | 71 70 dd 1H J 18 88 | 67 67 d 1H J 11 | 43 42 t 2H J 69 | 42 41 m 1H | 33 32 m 1H | 31 30 dddd 1H J 8 66 93 143 | 24 23 m 1H | 22 21 ddt 1H J 63 93 152 | 19 18 p 2H J 72 | 15 14 m 2H | 14 12 m 8H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccncc1C(=O)N(c1ccc(C(F)(F)F)nc1)C1CCN([C@H](C)CC#N)CC1
ir: 4 3 7 17 6 8 17 16 2 6 5 4 5 4 5 3 4 10 5 6 4 3 3 2 2 5 5 4 3 2 18 3 5 3 24 5 7 11 11 38 8 6 4 4 5 4 3 4 4 7 9 8 6 24 39 2 7 9 5 11 16 7 3 4 5 4 3 36 5 4 9 13 6 26 9 11 10 5 4 6 4 4 5 51 8 4 4 8 14 10 30 7 4 6 6 3 4 35 65 12 10 100 23 4 5 7 14 6 7 5 5 7 18 11 9 7 5 4 3 5 8 8 2 13 8 4 6 4 8 14 7 4 5 8 7 4 7 9 7 3 3 3 3 6 5 27 49 13 13 11 27 7 7 17 11 5 4 8 4 3 31 10 4 4 3 1 2 4 2 1 2 3 2 0 2 4 2 0 3 49 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 4 3 2 2 3 6 6 6 6 5 3 4 6 5 9 13 18 11 59 19 6 5 3 3 3 2 2 2 3 2 1 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3; 1HNMR: 88 87 d 1H J 14 | 85 84 dd 1H J 13 49 | 84 84 d 1H J 19 | 76 76 dq 1H J 21 71 | 75 74 dd 1H J 19 70 | 73 72 dd 1H J 9 49 | 40 39 p 1H J 60 | 30 29 qt 1H J 51 70 | 29 28 ddd 2H J 49 77 119 | 27 26 m 3H | 24 24 m 4H | 22 21 dddd 2H J 50 60 78 119 | 20 19 dddd 2H J 50 60 77 119 | 12 11 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@](O)(C(O)Cc1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F
ir: 47 20 36 16 33 13 36 8 11 19 12 12 26 34 23 8 16 28 14 7 9 8 5 4 5 5 4 6 9 20 26 9 14 12 7 2 8 19 7 4 77 16 8 15 5 5 5 3 4 6 5 0 3 7 23 27 28 8 6 3 6 8 52 10 17 6 3 3 5 12 6 2 8 7 7 13 15 20 15 7 19 25 48 16 95 38 22 21 44 39 25 30 29 27 88 58 42 8 14 9 7 19 45 6 3 4 9 7 5 4 4 5 6 5 4 4 4 6 6 10 23 13 8 10 17 18 6 4 5 3 4 7 11 4 17 19 4 3 2 4 4 5 62 26 4 8 12 29 14 7 6 3 7 4 3 3 3 3 3 4 3 4 2 3 3 2 3 3 3 2 3 4 3 2 3 3 3 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 3 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 3 3 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 4 2 2 3 3 3 2 3 4 3 2 3 3 2 2 4 3 2 2 4 3 2 2 4 4 2 3 5 4 2 4 7 4 2 5 9 9 8 46 22 36 70 61 22 11 4 8 13 32 100 23 0 4 4 3 2 3 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 79 79 m 2H | 79 78 m 2H | 76 75 m 3H | 73 73 dt 2H J 9 95 | 43 43 d 1H J 53 | 38 37 m 1H | 36 35 q 1H J 33 | 31 30 ddt 1H J 9 66 139 | 29 28 ddt 1H J 9 68 141 | 14 13 qd 3H J 16 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)c1ccc2cc(C(O)(c3c[nH]cn3)C(C)C)ccc2c1
ir: 8 4 7 7 4 6 3 7 8 5 5 18 1 4 3 2 2 1 3 2 1 1 2 3 1 1 1 1 1 7 2 1 1 3 1 8 1 1 1 1 1 1 1 2 10 3 2 1 1 2 1 2 6 3 21 9 2 2 1 1 1 1 2 2 4 7 11 5 15 9 5 2 4 11 12 8 9 14 3 3 9 6 4 1 2 1 0 2 8 5 10 10 4 22 20 7 7 13 3 2 4 2 12 6 16 13 10 4 4 3 5 7 32 21 11 9 4 14 19 7 12 8 9 6 14 10 2 12 8 16 5 3 1 1 2 1 1 2 5 1 2 15 13 19 8 2 9 10 15 1 8 12 3 2 1 0 1 2 14 2 1 0 2 1 1 0 1 0 0 1 1 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 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 6 3 2 2 1 4 4 1 4 7 6 4 8 11 26 18 13 100 97 45 4 5 12 6 9 16 5 6 12 13 7 4 3 2 2 5 3 3 2 4 9 4 5 7 3 2 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 dd 1H J 12 26 | 81 81 dd 1H J 21 82 | 80 79 m 2H | 78 78 m 1H | 77 77 m 2H | 77 76 t 1H J 42 | 72 72 dd 1H J 16 46 | 60 60 t 1H J 46 | 48 48 s 1H | 35 34 qd 2H J 42 62 | 27 26 hept 1H J 76 | 13 12 t 3H J 62 | 12 11 d 3H J 77 | 11 11 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(n2c(=O)[nH]c3cc(Cl)ccc32)CCN1
ir: 12 6 5 6 1 19 22 3 3 3 12 24 5 2 1 3 8 10 3 10 2 1 1 3 2 2 4 4 4 5 7 4 7 3 12 25 25 12 29 13 4 4 2 1 3 4 6 3 5 11 7 9 26 31 23 7 4 4 6 7 2 2 2 1 2 2 6 9 15 14 3 2 4 8 7 3 3 3 1 2 2 2 3 3 2 12 0 1 1 2 0 0 1 1 0 1 1 1 12 5 3 1 3 4 28 29 11 7 7 9 29 28 24 12 5 6 4 14 10 6 40 9 9 8 13 9 4 6 6 7 10 13 13 9 12 17 21 9 19 6 1 3 2 3 12 2 2 2 1 1 1 2 1 1 1 1 1 3 10 67 17 2 21 5 3 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 4 3 2 2 3 3 1 4 5 4 3 8 9 15 28 11 3 3 2 1 1 1 3 2 1 3 3 3 4 3 6 4 5 19 100 39 27 27 62 35 20 6 1 2 2 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 96 s 1H | 76 76 d 1H J 21 | 74 73 d 1H J 84 | 72 71 dd 1H J 22 84 | 43 43 tt 1H J 61 71 | 32 31 dh 1H J 52 64 | 30 29 dddd 1H J 29 43 57 131 | 29 28 dddd 1H J 29 44 57 132 | 27 26 dt 1H J 44 64 | 22 21 m 2H | 19 18 m 2H | 11 11 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(C3CO3)c(F)c2)c(C)c1
ir: 4 2 3 6 5 4 4 5 7 21 12 5 12 3 7 5 5 9 5 3 10 45 9 4 2 2 3 12 3 1 4 5 4 2 3 7 4 9 8 2 2 2 2 2 4 5 2 2 3 2 9 0 2 9 29 25 9 10 4 4 4 2 6 20 4 1 41 9 6 19 3 4 16 6 11 6 5 3 4 4 4 35 10 53 14 54 7 17 100 8 51 15 1 2 5 3 0 1 19 37 8 6 3 4 2 2 4 4 3 8 8 3 2 2 3 3 4 4 4 4 2 4 8 38 8 3 5 2 2 2 4 4 2 2 3 2 2 4 4 2 2 2 3 7 8 9 2 1 8 7 6 4 6 15 6 2 2 4 3 1 2 3 2 1 1 2 2 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 3 4 2 1 2 3 2 1 2 3 7 4 10 14 12 44 49 36 36 28 9 2 3 3 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 77 77 dd 1H J 21 105 | 77 75 m 2H | 71 70 m 1H | 70 69 d 1H J 81 | 69 69 d 1H J 20 | 43 42 m 1H | 36 35 m 3H | 33 33 dd 1H J 22 77 | 24 23 m 2H | 23 22 s 3H | 21 20 dddd 1H J 56 68 125 137 | 10 9 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
ir: 4 4 4 5 3 7 4 3 3 3 2 4 5 7 7 5 2 3 3 2 4 3 2 2 2 4 2 2 4 3 5 17 19 14 7 3 3 3 7 7 14 28 10 2 3 4 3 2 2 3 3 2 4 5 11 16 13 2 4 3 2 2 3 2 3 2 4 4 6 22 10 6 5 14 6 5 6 4 5 7 7 14 7 5 12 7 8 6 5 2 3 2 3 2 3 2 8 5 5 4 4 4 3 2 3 2 2 2 3 3 6 5 10 4 5 21 14 6 5 4 3 4 5 4 5 9 4 6 3 3 4 3 3 4 6 18 4 3 2 2 2 3 4 15 13 12 8 5 3 14 5 10 7 4 3 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 4 3 5 6 6 3 5 4 4 4 9 7 23 36 12 15 6 7 5 0 9 100 10 7 3 1 3 3 2 1 2 3 2 2 2 3 2 3 3 4 3 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; 1HNMR: 78 78 m 2H | 74 73 m 9H | 73 72 ddt 2H J 18 46 61 | 70 70 m 2H | 48 48 s 1H | 40 40 m 2H | 39 39 s 2H | 30 29 ddd 2H J 54 80 119 | 29 28 ddd 2H J 54 80 119 | 28 27 m 2H | 24 24 p 1H J 60 | 20 19 m 2H | 19 18 p 2H J 65 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(N)c(CCCNc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)c(=O)[nH]1
ir: 2 3 2 3 6 6 7 6 1 8 5 11 15 16 10 12 4 12 25 13 24 68 27 39 21 14 10 12 7 9 18 5 5 10 7 3 5 8 7 10 4 39 10 5 6 6 3 2 3 6 4 3 3 4 3 4 17 6 2 0 2 4 2 2 2 2 1 3 2 5 3 1 4 5 3 6 18 12 39 21 12 13 10 3 3 6 5 3 2 3 1 2 3 2 1 3 3 2 4 6 3 2 0 2 3 9 3 2 4 6 5 2 5 5 1 2 8 7 6 8 8 6 7 5 7 6 5 4 3 2 1 3 4 1 0 2 2 5 3 11 11 22 60 39 24 12 24 12 9 4 19 100 38 25 43 27 5 2 2 4 1 0 1 6 20 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 3 5 4 3 10 8 4 3 1 2 2 2 3 9 64 71 39 13 3 1 2 2 3 9 11 7 3 5 15 25 35 7 5 3 6 17 42 5 2 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 99 99 s 1H | 78 77 m 2H | 77 77 d 1H J 88 | 68 68 m 2H | 67 66 s 2H | 65 65 s 2H | 48 48 t 1H J 48 | 44 43 dt 1H J 64 87 | 33 33 td 2H J 48 60 | 24 22 m 4H | 22 21 dtd 1H J 64 91 143 | 20 19 dtd 1H J 64 91 143 | 19 18 tt 2H J 60 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=O)CCN1C(=O)c2ccccc2C1=O
ir: 1 2 4 2 2 2 3 3 7 8 8 2 1 3 8 2 2 4 5 3 4 3 3 1 1 2 2 1 1 3 5 1 1 3 4 3 1 5 6 49 50 6 2 12 5 1 3 2 2 1 1 3 4 5 2 2 2 2 2 1 2 6 2 1 2 2 1 2 2 2 3 1 2 2 2 2 2 2 2 17 15 5 2 3 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 4 7 6 3 2 2 2 3 8 6 3 3 3 3 5 21 7 2 3 4 2 5 6 12 3 2 15 62 9 3 4 5 9 12 6 2 2 2 2 2 2 6 2 2 3 2 1 3 7 100 8 7 0 2 20 2 1 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 3 1 2 3 5 2 2 3 3 1 3 3 2 7 10 4 7 17 13 1 2 3 2 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 43 43 q 2H J 71 | 43 42 t 2H J 61 | 30 29 t 2H J 61 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1noc(NS(=O)(=O)c2ccccc2)c1Br
ir: 5 4 4 3 3 2 3 4 5 9 4 14 7 3 21 2 2 2 3 3 3 2 3 2 2 6 5 3 8 6 5 7 5 3 3 3 4 2 2 11 40 5 4 2 8 7 3 5 14 4 7 7 10 9 20 54 7 11 6 0 4 12 10 29 8 36 6 2 6 7 3 1 4 9 7 2 3 15 2 2 3 3 2 3 37 17 58 2 4 4 2 2 4 4 3 5 4 5 11 5 5 6 9 13 14 7 10 5 3 2 2 3 3 2 2 2 3 3 3 5 20 5 3 3 4 3 5 22 10 5 15 30 7 6 9 11 4 3 2 3 4 9 44 18 5 3 48 5 3 1 2 4 3 3 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 2 2 2 3 2 2 3 3 5 4 10 9 6 29 11 20 4 1 2 3 2 3 3 3 2 2 2 2 2 2 2 2 3 3 2 2 3 4 3 5 100 79 19 5 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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 3 2 2 2 3 2 1 2 3 2 1 2 3; 1HNMR: 99 99 s 1H | 80 79 tt 1H J 13 74 | 77 77 dq 2H J 16 88 | 74 74 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccc(NC(=O)c2nc(C(C)(C)C)n(-c3ccccc3)n2)c(Cl)c1
ir: 1 8 5 9 15 4 5 2 3 5 7 7 17 4 9 3 11 15 11 9 14 6 6 4 8 11 5 8 5 7 6 36 39 5 10 4 5 3 5 4 29 12 41 11 6 2 8 5 4 3 4 15 10 22 18 9 22 10 8 7 3 11 8 3 11 4 3 6 31 33 5 8 4 6 8 24 11 10 10 7 4 5 4 13 6 8 4 4 3 6 5 3 4 1 5 5 5 66 48 5 3 4 3 1 1 2 2 2 1 2 6 6 6 46 44 32 15 6 22 22 25 33 16 19 10 6 18 31 20 66 17 18 9 1 1 39 13 3 4 3 5 9 34 37 54 31 14 27 29 13 33 14 24 16 6 2 2 2 2 1 3 4 5 7 25 68 2 2 1 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 6 11 18 23 6 9 12 7 13 8 10 5 8 11 14 76 100 58 68 82 42 23 8 18 7 1 4 6 1 0 4 4 2 1 2 3 1 1 4 5 4 3 8 35 29 11 4 2 2 1 2 1 1 1 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 88 s 1H | 75 74 m 5H | 74 74 d 1H J 81 | 72 71 m 2H | 71 70 ddt 1H J 9 20 82 | 42 41 q 2H J 66 | 30 29 td 2H J 10 84 | 27 26 t 2H J 82 | 15 14 s 8H | 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.
CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1Nc1ccc(-c2ccccc2)cc1
ir: 0 1 1 1 1 1 0 1 1 2 5 9 1 2 1 1 1 1 1 2 3 0 0 0 2 1 1 6 11 2 7 2 2 1 1 1 2 2 6 6 17 100 4 2 2 3 1 0 0 1 1 0 1 1 2 5 18 10 1 1 0 1 1 0 0 0 1 1 1 2 4 2 1 0 0 1 0 1 1 2 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 1 6 9 1 0 0 0 1 2 7 7 4 1 2 3 1 1 1 2 2 2 1 3 2 1 3 1 1 2 6 6 3 0 0 1 1 2 18 8 3 3 1 1 1 3 3 2 6 3 2 2 2 3 1 2 18 2 2 0 2 9 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 1 0 0 0 0 0 0 0 0 1 1 2 1 9 2 8 48 47 5 2 2 2 1 1 1 1 1 0 0 0 1 0 0 0 1 1 1 1 1 4 5 12 19 5 4 5 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 85 | 79 79 s 1H | 76 76 dd 4H J 19 83 | 75 74 m 8H | 74 73 m 2H | 73 73 d 1H J 21 | 72 72 m 2H | 16 16 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(Sc2ccccc2)cc1
ir: 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 5 1 1 1 0 1 1 1 1 1 1 1 8 2 3 1 1 1 1 1 2 4 1 15 20 8 3 2 1 1 1 0 1 1 1 2 2 12 16 7 2 1 1 1 1 4 3 2 1 1 2 3 7 5 1 1 1 2 1 1 1 2 1 1 1 1 1 1 4 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 2 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 5 4 0 1 1 0 0 6 81 3 2 1 3 5 11 4 3 4 2 3 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 2 3 6 8 4 17 100 22 11 3 3 3 2 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2H | 73 73 m 2H | 73 72 m 6H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)C12CCC(NCC(=O)N3C[C@@H](F)C[C@H]3C#N)(CC1)CC2)C(C)(C)C
ir: 8 4 3 2 3 1 1 1 0 1 2 4 1 2 2 2 4 2 5 2 4 7 22 17 18 3 11 3 4 3 6 60 19 5 4 13 72 26 7 13 22 14 23 36 77 38 13 10 4 4 3 2 3 3 3 3 5 8 9 3 3 4 9 2 2 6 4 7 6 2 16 12 6 6 6 4 3 1 1 2 1 1 1 2 3 5 5 7 4 3 13 12 4 3 4 3 4 4 5 6 2 4 8 7 14 5 11 9 6 4 2 7 6 7 25 20 60 25 45 25 33 76 15 12 15 19 13 34 23 22 20 12 4 4 7 4 4 5 5 5 3 4 4 12 14 18 64 100 19 6 7 0 1 3 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 2 3 3 7 6 6 7 3 3 5 7 21 22 24 4 3 2 1 2 0 1 2 2 1 3 4 3 5 6 3 1 6 7 12 42 94 57 35 38 36 56 13 11 13 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 60 59 d 1H J 90 | 52 51 dtt 1H J 13 26 39 | 51 50 dtt 1H J 13 26 39 | 48 48 tdt 1H J 16 33 62 | 40 39 ddt 1H J 15 127 174 | 37 36 ddd 1H J 28 123 173 | 36 35 m 1H | 35 35 d 2H J 57 | 32 31 t 1H J 58 | 26 25 dddd 1H J 25 44 138 167 | 23 22 dddd 1H J 42 60 135 170 | 20 17 m 13H | 10 9 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1csc(-c2ncccc2O)n1
ir: 10 8 8 7 3 5 7 6 21 4 1 9 5 2 12 5 6 2 2 1 1 1 1 1 2 2 1 1 2 4 2 1 2 2 1 1 1 1 1 2 2 1 2 4 2 1 2 3 3 3 3 13 31 0 2 1 1 2 2 3 3 4 5 29 23 2 1 1 3 4 4 1 1 2 3 5 2 2 3 1 3 4 10 2 14 26 7 5 2 3 11 5 2 1 3 2 5 8 4 12 1 2 2 1 1 5 5 6 9 18 2 2 1 1 1 2 1 2 2 2 2 3 3 3 10 4 3 3 2 2 1 1 1 1 1 2 8 7 8 3 3 3 2 4 5 3 7 10 2 5 1 1 1 1 1 1 2 7 2 1 1 1 1 1 1 1 1 4 1 1 1 0 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 3 4 2 2 2 4 5 11 18 28 33 22 11 7 6 5 2 14 100 29 7 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 s 1H | 84 84 dd 1H J 21 39 | 73 73 t 1H J 9 | 72 71 dd 1H J 20 82 | 71 71 dd 1H J 40 82 | 35 35 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc(CN(C)C)n1-c1ccc(Br)cc1C(=O)c1ccccn1
ir: 9 9 4 4 17 8 5 4 3 3 5 9 2 3 5 3 2 3 6 5 18 11 8 4 2 4 4 0 4 9 16 71 18 7 3 5 84 6 4 29 3 1 4 2 2 2 9 2 3 2 2 2 2 16 37 17 3 2 2 2 2 5 3 11 20 100 6 12 11 7 13 5 2 2 2 2 2 3 7 6 9 7 7 1 7 5 6 17 4 4 6 19 17 7 3 3 2 3 7 4 5 31 11 19 7 4 2 1 1 1 1 2 13 3 2 2 2 6 26 16 3 8 11 6 5 2 3 2 29 46 21 3 6 3 10 4 49 6 2 24 13 3 1 3 5 3 2 16 76 4 3 5 2 2 8 3 2 76 5 1 1 1 3 2 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 2 4 1 1 3 2 1 2 3 4 1 2 4 3 3 11 12 15 20 84 7 8 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 87 87 dd 1H J 16 42 | 83 82 d 1H J 25 | 80 79 m 2H | 77 77 dd 1H J 24 82 | 77 76 d 1H J 81 | 74 74 ddd 1H J 16 42 70 | 42 42 s 2H | 24 24 s 3H | 24 24 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc([C@H]2S[C@H](CCO)c3nnc(C(F)(F)F)n3-c3ccc(Cl)cc32)c1OC
ir: 9 5 1 2 3 1 1 1 3 2 2 4 7 5 4 7 2 3 4 8 4 2 4 3 2 1 0 2 2 1 1 2 2 1 3 2 2 1 2 6 5 1 3 5 9 3 3 13 16 14 6 3 4 1 11 14 5 2 2 3 8 1 5 11 4 1 2 8 4 1 3 5 1 1 2 3 2 2 5 6 2 9 27 4 2 6 10 8 26 50 53 17 7 25 24 13 11 32 15 8 3 9 3 3 1 2 2 2 6 3 5 3 1 3 5 3 0 2 4 6 5 2 4 3 1 2 3 2 3 5 2 1 1 1 2 1 1 5 17 3 9 19 3 2 1 2 3 1 14 12 5 2 4 27 2 1 1 5 7 1 2 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 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 2 1 0 1 2 2 0 1 2 1 1 1 2 1 1 2 3 2 1 2 4 2 3 3 9 9 8 5 15 14 9 13 100 64 11 6 6 5 6 23 92 15 3 3 4 2 2 3 2 1 1 1 2 2 3 3 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 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: 76 76 d 1H J 79 | 75 74 dd 1H J 21 80 | 74 74 dd 1H J 7 21 | 71 71 dt 1H J 10 73 | 70 70 m 1H | 68 68 dd 1H J 12 80 | 56 56 s 1H | 46 45 t 1H J 68 | 39 38 m 7H | 38 37 m 1H | 34 33 t 1H J 56 | 25 24 ddt 1H J 53 68 139 | 23 22 ddt 1H J 53 68 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC2(CC1)NC(=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2=N
ir: 0 3 5 2 5 11 5 7 1 2 3 8 1 4 5 1 0 3 3 1 3 4 3 2 2 6 4 1 3 4 3 2 3 3 3 1 2 9 7 31 22 13 4 1 4 4 3 5 14 9 7 2 2 5 6 3 6 4 2 0 2 4 2 0 3 4 3 3 3 5 2 1 3 4 4 1 2 3 2 2 6 11 2 0 4 3 5 6 33 5 9 5 4 4 2 2 2 6 11 51 6 12 14 9 5 5 2 2 4 4 1 2 3 2 1 2 3 3 3 2 3 3 3 2 3 3 5 2 2 2 0 2 3 6 2 2 3 7 2 4 2 3 8 3 2 1 2 4 9 6 19 4 2 2 3 3 3 8 100 3 2 1 2 6 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 12 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 1 2 3 1 1 2 3 2 3 2 3 5 7 5 4 2 0 2 2 2 1 2 3 2 2 3 3 2 8 58 5 2 1 3 4 7 14 14 4 3 1 3 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 88 88 s 1H | 79 79 d 1H J 76 | 78 78 dq 1H J 9 19 | 76 75 dd 1H J 22 75 | 68 67 s 1H | 29 29 ddd 2H J 33 60 130 | 27 27 ddd 2H J 33 60 132 | 24 22 m 5H | 21 20 ddd 2H J 34 61 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C(=O)C1CCN(C(=O)OC(C)(C)C)C1)c1cn(-c2cccnc2)nc1Cl
ir: 14 18 10 15 44 55 17 9 28 21 47 32 28 10 8 8 34 14 7 14 20 7 4 8 20 21 17 29 9 4 6 21 12 11 45 54 16 6 22 23 10 15 8 15 23 11 7 14 9 0 9 12 5 3 6 13 10 4 10 10 5 16 24 40 17 30 43 26 15 21 13 13 6 3 8 9 3 4 23 21 5 4 7 7 3 2 8 8 4 52 13 9 3 4 11 20 10 10 16 10 12 8 30 28 12 13 36 13 7 76 35 54 48 21 29 45 22 24 26 25 14 23 38 17 14 11 15 20 28 43 47 28 55 52 65 100 27 23 30 66 13 17 15 7 8 16 18 34 44 11 30 90 9 33 23 10 9 13 5 1 4 21 13 6 5 8 5 2 4 7 4 1 4 7 4 2 4 6 4 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 3 5 5 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 3 6 4 1 4 6 4 1 4 7 4 2 4 7 4 2 4 6 4 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 6 5 3 3 6 6 2 3 6 5 3 4 7 8 5 6 12 9 4 9 10 12 14 10 9 20 9 15 49 51 26 24 70 75 17 27 60 15 8 7 7 4 3 5 6 3 3 5 6 3 2 5 6 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 6 4 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 90 89 m 1H | 85 84 ddd 1H J 14 21 36 | 80 80 s 1H | 79 79 dt 1H J 20 71 | 75 75 dd 1H J 36 72 | 39 38 m 1H | 37 36 m 5H | 36 35 ddd 1H J 55 74 125 | 29 28 tt 1H J 41 49 | 23 22 ddt 1H J 53 76 127 | 21 20 ddt 1H J 53 76 126 | 15 14 s 7H | 13 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2O
ir: 7 8 1 5 6 2 3 3 8 2 1 1 2 0 0 2 2 2 5 3 4 4 2 3 3 2 1 6 4 3 5 3 5 10 6 5 17 46 20 5 8 8 12 28 2 8 3 6 8 7 2 14 8 1 2 9 2 2 8 5 1 1 1 1 3 1 2 5 2 1 1 1 1 1 1 1 1 3 2 6 4 1 1 1 1 3 14 10 6 14 10 9 2 2 1 1 39 59 8 2 3 4 2 1 1 3 11 3 1 1 2 3 5 5 7 3 2 3 3 2 0 1 2 5 1 1 2 2 0 2 4 4 3 15 1 1 2 3 2 5 66 17 1 2 2 2 13 37 16 8 3 1 22 38 11 13 1 0 0 1 1 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 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 1 0 1 1 1 0 0 1 1 1 1 1 1 1 0 0 1 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 5 5 4 4 2 2 3 6 3 12 11 13 1 2 1 2 1 1 2 3 11 100 27 4 2 3 2 0 2 2 1 2 1 2 4 4 41 64 14 8 4 2 2 3 1 1 0 1 1 1 1 1 1 1 1 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 d 1H J 66 | 92 91 d 1H J 66 | 84 84 s 1H | 43 42 dd 1H J 45 72 | 40 39 ddt 1H J 20 40 59 | 39 39 s 2H | 38 37 dd 1H J 22 106 | 36 35 dd 1H J 41 105 | 34 33 s 2H | 21 20 m 2H | 19 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@H](Nc1nc(CN2CCN(c3ccccc3)CC2)nc2ccccc12)C(N)=O
ir: 2 3 4 10 2 3 5 2 2 2 3 6 4 3 3 3 0 2 12 3 2 3 6 15 3 3 3 8 1 13 5 6 2 8 12 9 7 11 17 12 10 20 23 14 12 1 2 7 4 15 4 7 2 9 3 2 2 2 2 9 4 4 9 3 3 2 4 2 3 3 2 8 8 3 4 3 3 4 4 2 18 1 3 4 33 4 2 2 2 2 2 2 2 2 2 2 2 2 4 2 4 7 3 2 2 2 2 4 7 4 8 3 1 2 2 2 2 4 4 8 5 8 3 2 2 2 3 2 2 2 3 7 3 5 3 3 4 8 13 5 3 3 8 6 20 8 13 3 3 3 8 1 10 24 2 3 4 34 82 9 3 2 2 3 2 100 3 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 7 4 5 32 9 6 3 2 2 2 2 1 2 3 2 1 2 2 2 1 4 58 3 3 3 1 10 20 10 7 6 4 4 6 60 14 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 2 2 1 1 2 1 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 83 82 dd 1H J 13 98 | 80 79 dd 1H J 16 73 | 78 78 td 1H J 12 70 | 75 75 ddd 1H J 13 70 97 | 73 72 m 2H | 69 69 m 2H | 69 68 tt 1H J 13 77 | 67 66 d 1H J 82 | 66 66 s 2H | 42 41 s 2H | 41 41 dddt 1H J 15 29 61 79 | 32 31 m 8H | 23 21 m 1H J 68 | 10 9 dd 3H J 15 68 | 9 9 dd 3H J 15 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)O)c(F)c1
ir: 0 1 1 2 1 2 3 1 2 3 1 1 1 4 6 2 2 3 6 3 7 9 10 22 8 5 3 2 4 2 2 2 1 1 1 1 2 1 1 1 2 0 2 1 2 1 1 1 1 1 1 1 1 1 1 2 5 1 0 1 3 1 0 1 1 0 1 2 3 6 2 1 2 2 2 3 3 6 5 2 5 1 1 1 1 1 1 2 1 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 11 2 1 2 1 2 1 4 4 1 1 1 1 0 1 2 1 2 2 1 0 0 1 2 1 1 1 0 1 1 2 13 5 11 8 2 11 2 1 5 9 10 5 8 2 1 1 4 0 1 0 1 5 0 0 0 0 0 0 0 0 0 0 0 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 0 0 1 1 1 0 0 1 1 1 1 1 1 1 10 3 0 1 1 0 0 0 0 1 1 1 0 0 0 0 0 1 5 10 2 1 0 1 0 0 0 1 1 1 8 100 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; 1HNMR: 81 80 dd 1H J 50 99 | 79 79 d 1H J 7 | 78 78 dd 1H J 22 98 | 77 77 dd 1H J 21 121 | 67 66 s 2H | 38 37 ddd 2H J 38 66 110 | 36 36 ddd 2H J 38 64 110 | 32 32 m 1H | 25 24 dtd 2H J 38 64 154 | 22 21 dtd 2H J 38 64 154
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(Cc2ccccc2)CC(N)C1
ir: 2 3 3 3 3 9 4 3 2 3 3 2 2 5 3 2 1 2 2 2 4 3 3 2 3 3 3 2 1 5 7 3 4 3 3 3 3 3 14 24 5 6 8 2 3 6 3 1 2 5 3 2 4 31 100 14 6 0 19 49 6 1 3 5 2 5 7 10 16 15 30 12 5 6 4 5 6 12 40 36 22 20 9 8 3 3 4 3 2 5 16 4 5 5 3 3 2 9 6 7 5 8 18 9 2 2 2 2 2 2 2 2 2 2 2 3 2 3 3 3 4 4 4 6 3 4 5 6 12 17 15 42 18 12 16 26 8 6 4 3 2 3 4 11 4 3 3 3 2 2 2 9 6 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 6 5 7 38 8 2 3 3 2 2 3 3 2 2 3 4 9 46 31 21 8 8 6 12 9 57 12 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 72 m 5H | 36 35 m 2H | 30 29 tp 1H J 44 69 | 28 26 m 6H | 26 25 dd 1H J 42 125 | 25 24 dd 1H J 47 124 | 24 23 d 2H J 69 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(Cl)c1C(=O)OC(C)C
ir: 4 7 5 7 6 4 5 2 5 6 9 13 9 5 5 4 20 13 19 20 3 3 3 1 1 3 3 1 1 3 3 1 1 5 7 2 3 7 21 10 2 4 3 2 7 11 3 0 2 5 2 0 2 4 2 0 2 5 3 2 3 4 2 0 3 5 2 1 5 4 2 3 12 18 14 12 4 8 5 2 5 4 2 4 44 6 4 2 3 3 2 6 9 4 1 2 4 4 5 19 33 6 1 2 4 3 1 8 32 19 7 4 4 6 9 12 9 16 14 20 7 3 3 3 5 2 2 8 4 6 5 3 3 2 1 6 23 9 1 3 3 1 7 12 4 3 6 16 21 33 24 15 4 1 2 5 8 100 53 8 4 2 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 0 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 3 5 5 3 2 3 4 2 3 4 4 3 5 6 5 7 14 7 8 11 18 14 3 1 2 3 2 1 3 3 2 1 3 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 83 83 d 1H J 51 | 72 71 dq 1H J 8 50 | 52 51 p 1H J 58 | 26 26 d 3H J 7 | 14 13 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)CCN1
ir: 7 12 7 9 14 17 10 7 5 15 54 40 12 8 8 7 10 4 3 5 5 4 3 3 3 3 4 3 5 13 7 5 5 3 3 3 4 2 8 5 6 3 3 5 4 3 3 7 15 5 29 26 53 25 12 3 5 11 6 4 6 8 6 5 4 8 5 4 7 9 9 12 5 7 4 3 4 4 3 2 3 3 2 2 3 3 2 3 3 3 3 3 5 4 8 4 5 5 3 3 5 5 4 7 14 9 7 47 2 6 15 31 57 52 56 15 13 19 21 23 22 34 19 18 6 9 11 17 15 21 26 20 10 5 13 4 3 4 7 4 3 6 5 5 48 6 7 0 2 11 11 100 8 0 2 5 4 1 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 2 2 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 4 5 5 5 7 5 5 5 5 4 4 6 5 7 5 8 13 28 16 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 6 10 30 44 13 5 4 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 40 39 m 2H | 36 36 dd 1H J 36 120 | 36 35 m 3H | 33 33 dt 1H J 35 70 | 31 30 ddt 1H J 35 53 132 | 30 29 m 1H | 15 14 s 8H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1C(NC1=Nc3ccc(NS(=O)(=O)N4CCCCC4)cc3CO1)CO2
ir: 20 32 29 43 32 29 6 34 39 25 42 10 21 5 3 21 8 13 22 16 14 25 14 21 34 29 15 13 21 8 22 10 14 12 13 10 10 29 8 18 8 4 7 4 9 9 31 61 13 4 9 4 3 10 22 26 24 5 10 13 4 4 8 5 15 6 9 12 16 22 26 29 8 10 7 6 3 8 11 9 30 55 28 7 5 18 20 14 35 29 51 22 12 5 3 4 2 7 10 27 41 12 16 6 31 10 7 6 8 19 20 15 13 6 3 4 5 5 9 8 7 18 8 20 9 6 6 7 6 7 28 7 15 5 5 15 8 5 3 10 21 57 13 37 44 18 57 26 7 3 2 70 5 17 6 0 33 60 4 2 2 1 1 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 4 3 3 2 2 3 4 10 19 8 20 52 71 10 8 2 4 2 3 4 2 1 2 1 2 1 1 2 2 1 1 1 5 5 7 7 68 33 82 100 24 8 6 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 76 76 d 1H J 75 | 73 72 d 1H J 88 | 72 72 dt 1H J 9 20 | 72 71 m 2H | 68 68 dd 1H J 9 84 | 67 66 dd 1H J 9 84 | 53 53 dt 1H J 27 75 | 51 50 d 1H J 11 | 46 45 dd 1H J 27 114 | 43 43 dd 1H J 29 114 | 39 38 s 2H | 32 31 m 4H | 17 17 p 4H J 56 | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C(=O)O)CCN(C2CCC3(Cc4ccccc4Cc4ccccc43)C2)C1
ir: 1 2 1 2 5 2 1 2 5 4 2 5 9 5 5 6 8 6 7 9 15 58 39 15 7 11 7 5 3 2 1 1 2 2 1 5 1 2 2 2 4 7 100 21 4 2 2 2 1 1 3 3 1 2 2 3 2 3 1 2 2 4 1 1 3 4 4 3 4 12 3 6 3 2 6 5 19 57 12 9 33 10 5 9 3 4 9 15 9 5 14 7 8 3 4 5 6 5 4 2 2 2 1 1 1 2 1 1 2 1 3 6 14 6 7 3 2 2 5 1 3 2 6 4 1 4 3 4 4 5 5 2 2 3 3 3 3 11 16 5 2 7 9 6 89 7 2 3 6 7 3 2 0 1 1 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 6 4 2 2 2 2 5 10 14 5 15 68 41 5 5 3 1 1 3 6 27 59 10 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 7H | 71 70 ddt 1H J 11 22 55 | 39 38 qt 2H J 9 104 | 33 32 tt 1H J 43 54 | 31 31 dd 1H J 7 122 | 30 29 m 2H | 29 28 dd 1H J 8 121 | 28 26 m 2H | 22 18 m 7H | 17 16 ddt 1H J 49 57 121 | 12 12 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(Br)ccc1OC1CCOCC1
ir: 3 1 2 2 1 1 3 1 2 1 2 1 26 5 5 4 9 2 1 2 1 1 1 1 2 5 4 6 3 3 2 2 1 1 1 1 1 1 1 3 12 3 1 1 7 2 1 2 5 2 2 4 3 32 100 16 4 12 2 0 1 2 1 2 5 3 5 52 6 2 2 1 30 5 5 16 16 6 6 2 3 16 19 3 2 1 2 14 10 0 1 2 5 2 3 1 1 8 4 3 3 2 1 1 1 2 2 3 7 5 5 3 27 11 18 4 5 3 1 1 4 10 3 4 24 4 6 11 6 2 2 1 1 1 1 1 1 1 1 2 2 6 6 2 2 1 0 8 29 9 3 6 4 2 1 0 1 1 1 4 3 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 3 3 3 5 5 9 5 2 2 4 1 3 23 13 15 11 97 47 5 6 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1; 1HNMR: 73 72 m 2H | 69 68 dd 1H J 47 83 | 48 47 p 1H J 50 | 38 37 ddd 2H J 37 63 112 | 37 36 ddd 2H J 37 63 112 | 22 21 dddd 2H J 37 50 64 141 | 20 19 dddd 2H J 37 50 64 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N(C(C)C)P(N)(=O)Cl
ir: 3 2 1 3 8 4 2 1 3 4 9 3 6 3 3 3 2 2 6 14 12 12 64 26 2 3 3 3 2 4 6 0 27 27 73 34 8 2 2 4 3 2 2 3 1 2 2 2 2 0 2 17 6 38 56 20 11 4 8 6 11 9 30 37 46 54 9 23 19 19 35 30 10 3 7 18 35 12 13 19 37 13 18 9 9 6 8 14 10 12 6 9 13 8 17 41 39 38 73 60 19 13 5 6 13 5 5 3 7 4 1 2 2 3 3 3 2 6 15 7 11 10 2 4 5 4 8 4 8 7 5 22 7 10 10 8 6 3 3 2 2 2 2 3 2 3 2 3 4 3 3 12 47 37 8 5 3 1 2 2 3 1 1 2 1 1 1 2 2 2 1 2 3 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 13 5 1 4 2 1 2 3 3 2 6 8 17 40 53 49 7 1 2 2 1 0 1 4 10 2 2 1 2 1 1 1 2 7 22 100 8 4 2 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1; 1HNMR: 35 34 hept 2H J 72 | 28 28 s 2H | 12 12 d 12H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC(=O)c1cc(OC)c(OC)cc1I
ir: 3 2 2 1 1 2 2 2 1 3 6 8 2 2 1 1 1 2 2 2 3 2 5 6 5 8 34 20 17 19 3 5 4 5 9 18 6 10 5 11 13 22 49 25 4 6 5 2 2 5 3 3 2 2 3 2 4 3 3 3 3 4 4 12 5 6 19 23 23 14 6 6 6 8 6 6 1 2 1 0 1 1 1 0 3 9 2 1 1 1 1 1 2 2 2 8 6 5 8 1 2 1 3 2 3 1 1 1 1 1 2 2 2 3 5 7 4 8 11 23 13 5 73 47 7 15 34 22 15 20 3 4 5 7 16 6 4 1 1 2 2 5 10 22 58 24 38 66 33 11 11 100 18 39 7 3 3 1 2 1 1 1 1 2 1 0 0 1 1 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 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 2 2 1 1 3 3 2 3 1 2 1 2 3 3 14 25 11 12 92 17 4 2 2 2 2 1 1 1 1 1 1 1 1 1 0 2 2 3 6 12 14 37 36 38 29 27 21 15 6 8 3 2 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 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 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: 76 75 t 1H J 61 | 75 74 s 1H | 74 74 s 1H | 42 42 q 2H J 66 | 41 41 d 2H J 62 | 39 39 s 3H | 39 39 s 3H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(CC)CC(=O)CC(C)(C)N1
ir: 1 1 2 2 2 1 4 7 4 1 2 2 16 4 3 2 1 8 19 3 1 5 13 5 1 1 1 1 1 1 1 2 1 4 31 100 23 6 4 4 2 4 1 0 0 1 2 3 3 4 3 1 1 3 6 4 1 1 1 0 1 6 12 2 3 4 3 1 1 2 2 1 2 2 1 0 1 1 0 0 1 3 2 12 5 4 1 2 2 2 2 4 2 1 1 2 3 1 2 4 6 3 4 2 2 5 1 2 2 1 0 1 1 1 1 3 4 5 14 12 7 10 14 21 42 16 17 24 19 6 36 22 23 37 31 15 39 40 21 20 9 2 3 8 14 12 2 3 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 5 3 2 3 5 8 8 3 3 3 3 3 4 11 23 7 4 2 2 4 1 0 2 2 1 2 2 3 3 2 4 9 11 11 27 46 71 47 26 18 10 8 1 2 2 2 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 29 29 s 1H | 24 24 s 2H | 24 23 s 2H | 17 16 dq 2H J 63 139 | 15 14 dq 2H J 64 141 | 13 13 s 5H | 9 8 t 7H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2ccc(-c3ccccc3)cc12
ir: 2 4 5 4 5 5 2 3 4 4 0 2 3 2 1 3 3 2 1 5 7 2 4 6 7 12 19 15 8 4 11 3 2 6 1 4 9 1 4 6 13 61 11 6 4 11 81 95 21 4 2 5 5 6 18 2 3 2 1 2 1 2 2 2 5 4 3 2 15 3 6 9 4 2 4 4 6 4 3 2 1 1 1 4 1 1 2 1 2 2 3 2 3 3 1 2 2 6 5 3 2 1 4 3 14 3 0 17 3 17 4 16 11 7 3 2 0 3 3 12 4 7 4 1 0 3 5 2 1 2 2 1 2 3 3 2 2 3 11 10 18 16 22 3 5 3 3 1 1 3 3 2 3 11 12 17 15 4 4 59 7 13 40 7 2 3 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 3 2 1 2 3 5 7 11 30 38 35 24 21 5 7 3 1 2 2 2 2 1 1 1 2 2 2 2 1 2 2 3 50 100 28 26 3 1 0 2 1 0 0 1 1 1 3 2 2 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 83 d 1H J 24 | 79 79 dd 1H J 12 72 | 78 78 d 1H J 70 | 78 77 dd 1H J 24 84 | 76 76 m 2H | 75 74 m 4H | 74 73 m 2H | 73 73 t 1H J 71 | 71 71 dq 1H J 10 73 | 40 39 m 2H | 29 28 m 2H | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Ic1ccc2c(c1)CCCNC2
ir: 0 3 6 2 2 7 11 10 6 3 3 2 1 4 4 2 1 2 4 3 4 6 4 10 3 4 5 12 10 5 12 15 12 14 16 13 5 7 5 5 13 18 12 8 10 20 18 13 13 39 56 9 13 40 41 2 7 12 7 3 10 6 7 4 6 13 8 19 8 7 2 2 3 3 2 1 3 3 1 2 4 2 1 1 3 7 8 3 4 5 13 19 23 15 12 9 8 6 2 3 3 3 1 2 3 3 2 21 23 12 9 31 49 100 15 19 43 8 2 7 7 5 5 7 7 4 6 7 5 19 25 22 24 28 9 5 5 2 3 4 3 5 9 5 2 1 1 4 9 9 4 5 13 24 3 3 2 0 1 3 4 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 2 3 3 2 3 5 3 1 5 4 2 2 3 3 5 12 11 11 13 45 40 4 5 7 4 3 2 3 2 4 3 2 4 3 3 2 9 18 78 46 45 46 8 4 7 3 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 75 75 dd 1H J 22 77 | 74 73 dt 1H J 9 21 | 71 70 dt 1H J 8 77 | 40 39 dd 2H J 9 57 | 35 34 tt 1H J 48 57 | 29 28 td 2H J 48 57 | 28 28 td 2H J 9 83 | 19 18 tt 2H J 57 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC(CC(=O)c1cc(Cl)ccc1N)C(=O)NC(CO)c1ccccc1
ir: 5 5 8 6 9 4 6 7 11 9 14 20 12 18 12 12 18 23 18 11 13 18 16 17 18 11 10 7 8 12 9 19 9 7 11 6 20 3 11 14 15 61 26 39 9 10 25 8 4 4 6 21 21 34 31 12 3 4 4 3 4 13 7 4 3 3 5 10 10 12 5 7 4 4 3 4 4 6 6 5 5 5 2 3 3 3 13 3 4 5 6 4 6 9 11 15 24 18 11 9 14 7 19 3 5 5 5 5 14 6 17 16 6 3 5 5 6 8 9 5 7 7 8 10 3 5 5 4 3 3 4 3 3 3 4 10 4 3 3 4 5 38 81 39 60 64 23 6 12 13 60 10 6 14 7 8 17 47 22 7 6 4 7 55 5 2 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 2 2 3 3 3 2 3 5 4 6 3 3 4 6 5 5 4 11 7 16 52 13 12 35 40 70 58 21 7 6 4 2 2 3 4 3 6 5 13 19 9 11 10 0 34 100 47 8 4 22 20 86 26 3 2 3 2 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 78 d 1H J 84 | 77 76 d 1H J 24 | 75 74 m 2H | 73 72 m 4H | 71 70 d 1H J 90 | 67 67 d 1H J 71 | 61 60 s 2H | 49 48 m 1H | 47 47 dt 1H J 63 84 | 39 38 ddd 1H J 41 56 125 | 38 37 ddd 1H J 42 56 123 | 34 33 dd 1H J 64 174 | 32 31 m 2H | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(c1ccc(Oc2nccnc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1
ir: 6 3 3 4 1 2 2 3 1 1 3 11 14 26 16 9 7 7 3 2 16 9 11 12 10 11 6 3 2 3 3 1 1 3 2 2 6 3 3 5 8 23 58 15 7 3 3 3 1 5 4 0 5 7 38 41 8 3 5 5 1 1 0 0 1 1 2 3 5 17 4 2 2 3 9 3 3 1 1 1 1 1 2 3 10 10 18 33 29 18 5 6 2 2 3 3 1 6 1 1 2 2 1 1 5 6 20 10 4 2 1 4 15 5 6 5 6 16 18 5 4 5 3 5 7 3 2 3 4 1 1 2 3 5 9 19 5 2 1 1 1 0 1 6 9 11 4 4 6 37 8 4 100 6 1 2 2 1 0 1 1 2 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 2 1 1 2 1 3 3 2 3 7 10 12 22 17 14 2 0 2 3 7 13 3 2 1 0 1 1 1 1 1 1 1 1 1 1 2 2 6 5 7 11 7 3 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 82 d 1H J 35 | 81 80 d 1H J 35 | 76 75 m 1H | 75 74 m 1H | 72 71 m 4H | 69 69 m 2H | 61 60 m 1H | 42 41 d 1H J 40 | 38 37 ddd 2H J 38 66 112 | 36 36 ddd 2H J 38 64 110 | 35 34 p 1H J 65 | 26 25 dtd 2H J 38 65 150 | 23 22 dtd 2H J 38 65 150
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)O[C@@H]1CC2=CC=C3[C@@H]4CC[C@H](C(C)C(=O)O)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](OC(=O)OC)C1
ir: 19 9 18 8 4 9 5 3 3 1 8 3 9 3 4 18 5 2 3 1 15 54 15 9 3 3 3 2 7 1 1 1 1 0 0 0 0 0 1 1 1 0 0 1 0 0 1 1 1 1 2 2 1 1 1 0 0 0 1 0 0 3 2 6 3 3 2 8 2 2 3 3 3 2 2 3 4 4 24 23 1 3 1 1 1 0 1 3 1 1 1 2 0 1 1 1 1 2 10 6 3 4 4 2 2 3 1 11 3 16 10 8 8 8 19 33 5 4 3 8 8 2 4 1 2 1 2 3 9 5 0 1 1 2 3 2 2 1 1 1 2 3 1 2 6 7 18 9 1 1 0 0 2 1 1 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 2 2 2 3 2 3 4 3 5 17 12 10 3 1 1 1 1 0 0 0 1 15 100 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 63 62 dp 1H J 9 77 | 57 56 dtt 1H J 9 18 77 | 52 52 ddd 1H J 37 54 81 | 50 49 dddt 1H J 39 49 68 78 | 28 27 ddt 1H J 9 40 154 | 26 25 ddt 1H J 10 68 154 | 25 23 m 2H | 22 21 m 3H | 21 21 s 6H | 20 19 m 2H | 19 18 m 2H | 18 17 ddddd 1H J 18 48 66 85 133 | 16 15 m 2H | 15 14 m 2H | 12 11 m 5H | 8 8 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCCc1c[nH]c2ccc(N)cc12
ir: 44 17 17 31 9 17 28 6 12 8 2 5 5 3 4 4 5 2 4 7 4 8 8 5 19 54 77 9 48 28 9 6 12 8 11 4 5 6 3 3 2 4 4 2 2 3 2 2 3 4 3 2 11 23 12 13 4 3 4 4 3 5 3 2 4 5 12 11 19 6 6 9 5 4 4 3 4 4 10 29 18 6 3 2 2 3 2 2 3 4 4 2 2 2 2 2 4 3 3 2 4 3 4 17 29 12 6 24 34 5 5 5 4 3 5 2 4 4 3 4 9 4 5 7 7 5 3 3 4 10 15 4 3 3 3 3 4 2 3 4 26 17 14 11 25 27 47 17 5 8 4 0 3 18 21 17 25 30 22 3 2 2 3 7 15 6 3 3 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 1 2 1 1 1 1 1 1 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 2 2 2 2 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 1 1 2 2 2 2 2 2 2 3 3 2 3 2 3 2 2 2 5 5 3 6 9 6 12 21 15 6 12 6 4 5 3 2 2 2 2 2 2 2 2 4 8 31 16 13 17 12 16 16 16 29 15 8 8 80 100 9 2 4 3 2 2 3 4 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 1 1 1 1 1 1 2 3 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 d 1H J 71 | 72 71 d 1H J 72 | 71 70 m 1H | 69 69 m 1H | 69 69 d 1H J 19 | 67 66 dd 1H J 21 70 | 44 44 s 2H | 34 33 m 5H | 20 19 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CNCCN1C1CCC1
ir: 3 2 2 1 1 1 2 3 1 1 2 2 2 1 4 2 5 3 1 1 2 1 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 11 3 2 1 2 1 2 1 8 6 6 42 80 20 9 4 4 10 12 8 7 8 40 8 23 1 0 1 4 1 1 1 3 5 2 1 2 2 1 1 3 2 2 2 3 2 3 2 1 1 2 3 3 3 5 3 4 5 4 11 7 6 2 1 15 100 29 17 8 2 3 7 4 4 2 3 3 1 4 2 1 0 2 11 1 3 10 4 3 2 3 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 4 1 1 1 1 4 6 5 6 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 5 20 81 15 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 30 30 p 1H J 48 | 28 26 m 4H | 26 26 d 2H J 38 | 21 21 m 1H | 19 17 m 5H | 16 15 dtd 2H J 48 68 115 | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)c1cccc(NC(=O)c2ccc(C(=N)N)cc2)c1
ir: 11 11 18 26 7 11 11 15 19 17 12 32 13 14 38 31 21 46 13 10 12 8 7 23 12 27 29 12 19 12 9 13 24 10 14 7 6 16 15 25 55 42 42 10 11 9 9 8 10 29 6 3 5 8 5 3 9 6 6 5 7 7 5 33 32 6 6 18 9 2 5 3 19 6 6 8 2 2 3 3 4 3 2 4 4 2 3 9 10 20 11 4 3 2 4 9 19 3 2 11 2 4 1 4 1 29 13 5 10 13 13 10 4 7 6 4 27 5 10 12 38 40 16 11 25 25 12 23 14 13 17 6 5 4 6 3 6 6 23 62 46 40 32 26 81 69 59 79 100 72 40 46 19 17 22 11 2 10 3 2 2 1 2 5 6 3 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 0 0 1 0 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 2 1 2 3 2 3 3 2 3 1 4 6 11 13 6 29 39 7 30 74 39 22 4 8 2 1 4 3 2 3 3 3 6 5 18 58 25 19 19 6 8 11 32 37 84 54 11 12 6 50 69 6 6 5 1 1 2 1 0 1 1 1 0 1 1 2 1 1 2 1 1 1 1 0 0 0 1 0 0 0 1 1 1 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 s 1H | 81 80 t 1H J 22 | 78 78 m 3H | 78 77 m 2H | 77 76 m 2H | 75 74 t 1H J 80 | 64 64 s 1H | 53 52 s 2H | 48 48 dt 1H J 64 90 | 37 37 s 3H | 30 29 dd 1H J 65 171 | 28 27 dd 1H J 65 171 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncc2c(c1O)c(-c1ccccc1)c(-c1ccc(F)cc1)n2-c1ccccc1
ir: 2 5 12 12 9 10 12 7 3 4 7 8 4 5 10 55 16 6 4 3 3 4 4 3 3 4 5 6 4 4 7 5 6 6 6 45 6 5 5 22 6 23 31 9 4 5 4 3 4 4 4 3 4 7 7 15 12 10 5 3 4 5 4 7 4 5 7 10 10 6 4 4 3 5 6 4 7 7 5 5 4 3 5 5 0 100 4 4 7 14 3 3 5 6 3 3 4 4 4 6 5 4 2 3 5 12 22 4 3 3 3 3 5 11 4 4 5 4 2 4 4 4 6 8 8 4 4 7 5 12 5 4 6 5 14 22 8 3 15 6 6 3 4 13 8 22 38 6 5 7 6 28 11 5 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 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 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 4 4 3 3 4 4 3 4 9 8 5 29 85 37 13 6 4 4 6 19 53 7 5 3 3 4 4 3 2 4 4 3 3 4 4 3 3 3 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 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 4 3 3 3 4 3 3 3 4; 1HNMR: 85 85 s 1H | 76 75 m 2H | 75 75 m 2H | 74 73 m 6H | 72 71 m 4H | 44 44 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC[C@H]1C[C@@H](n2cc(I)c3c(N)ncnc32)C1
ir: 15 16 17 9 8 7 14 12 12 6 6 4 6 5 2 3 7 4 1 3 9 16 24 4 4 11 7 13 3 5 11 8 4 4 6 6 4 5 5 3 22 6 3 5 21 10 7 6 3 3 2 2 4 6 2 2 2 2 3 2 2 2 10 11 12 6 29 15 5 6 7 7 5 11 3 1 2 5 10 6 3 3 2 2 10 8 3 2 2 1 3 2 1 2 0 1 3 5 3 30 1 55 7 7 4 7 30 18 15 15 3 5 3 5 9 4 4 4 3 3 2 3 1 5 16 11 10 2 2 3 9 5 4 11 18 5 2 9 4 4 4 13 21 29 30 13 6 3 4 29 60 11 4 2 1 1 1 13 23 2 1 0 0 1 1 1 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 0 2 4 3 2 5 10 10 24 12 8 32 38 36 33 33 26 24 8 6 4 6 3 1 1 1 2 2 1 4 2 3 2 35 67 4 4 6 5 8 28 100 30 11 9 8 3 1 1 1 0 1 0 0 1 1 0 0 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H | 75 74 d 1H J 7 | 66 66 s 2H | 62 61 t 1H J 62 | 46 45 pd 1H J 7 61 | 32 32 ddd 1H J 49 62 125 | 31 30 ddd 1H J 48 62 124 | 25 24 m 1H | 22 21 dt 2H J 63 126 | 20 20 s 3H | 20 19 dt 2H J 61 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CN1CCN(c2ccccc2)CC1
ir: 4 11 13 9 7 9 17 12 7 11 14 9 5 11 17 7 5 9 11 7 6 9 12 18 14 11 11 7 7 11 18 16 8 12 10 7 7 10 9 10 20 100 30 9 10 14 10 5 7 12 8 4 8 12 12 5 9 13 10 4 9 12 9 6 10 15 8 14 31 53 49 11 11 12 8 6 10 14 10 7 10 10 8 36 31 13 13 22 16 11 7 9 12 11 6 10 14 17 8 14 15 18 28 52 29 15 10 26 29 10 5 8 13 9 4 9 15 9 6 9 11 8 6 10 11 7 6 9 12 11 7 10 10 8 11 35 29 8 6 10 11 8 12 20 61 35 14 16 13 7 8 12 38 18 10 11 10 23 62 13 36 0 11 11 8 5 8 11 8 5 8 11 8 4 8 11 7 5 8 10 7 5 8 10 7 5 8 10 7 5 9 10 6 6 9 9 6 6 9 9 6 6 9 9 6 6 10 9 5 6 10 8 5 7 10 8 5 7 10 8 5 7 10 8 5 7 10 8 5 8 10 7 5 8 10 7 5 8 10 7 5 8 10 7 5 8 9 7 6 9 9 6 6 9 9 6 6 9 9 6 6 9 9 6 7 9 9 6 7 10 9 6 8 12 14 9 8 11 10 6 10 11 10 8 15 29 40 38 99 32 15 6 11 13 10 6 9 10 7 5 8 10 7 6 9 9 6 6 9 9 6 6 9 9 6 6 9 9 6 6 9 8 6 7 9 8 6 7 9 8 5 7 10 8 5 7 10 8 5 7 10 8 5 8 10 7 5 8 10 7 5 8 10 7 6 8 9 7 6 8 9 7 6 8 9 7 6 9 9 6 6 9 9 6 6 9 8 6 7 9 8 6 7 9 8 6 7 9 8 6 7 9 8 5 7 10 8 5 7 10; 1HNMR: 78 78 q 1H J 9 | 73 72 m 2H | 69 69 m 2H | 69 68 tt 1H J 13 77 | 37 36 m 4H | 33 32 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCn1c(=O)nc2n(CCN3CCC(C(=O)O)CC3)c3cc(C)c(C)cc3nc-2c1=O
ir: 14 15 16 17 16 28 24 30 13 16 16 30 12 24 23 19 15 16 22 23 19 64 44 37 18 19 21 18 15 19 15 13 14 14 13 12 12 14 14 15 28 24 15 12 13 13 13 13 14 14 19 13 16 17 25 17 13 14 13 14 13 14 14 13 19 20 23 26 20 30 19 25 21 20 14 19 20 26 33 36 40 18 16 15 15 19 23 18 15 19 16 18 14 14 12 13 21 20 18 23 18 20 19 20 18 24 20 17 19 24 24 29 22 20 16 16 17 15 17 19 18 25 15 20 24 18 28 21 18 17 14 15 15 15 18 19 16 14 14 15 15 17 18 40 51 24 83 17 15 13 14 12 38 16 56 14 17 19 16 0 100 10 13 14 12 11 13 14 12 11 12 13 12 11 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 13 12 13 13 12 12 12 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 13 13 14 14 14 13 16 16 15 15 18 16 13 15 18 17 19 20 20 24 23 24 18 13 12 15 16 15 13 39 45 26 19 13 12 13 13 12 12 12 13 12 12 12 12 12 12 12 12 12 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 13 13 12 12 12 13 12 12 12 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13 12 12 12 13; 1HNMR: 77 76 s 1H | 76 76 d 1H J 7 | 62 61 s 2H | 41 40 t 2H J 60 | 29 28 m 4H | 27 26 ddd 2H J 59 86 121 | 24 24 p 1H J 58 | 24 24 s 3H | 24 23 s 2H | 22 21 m 2H | 21 21 s 3H | 19 18 ddt 2H J 59 86 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(NC=O)S(=O)(=O)c1cccc(N)c1
ir: 16 28 35 18 13 22 21 18 11 6 9 7 3 15 14 5 4 32 40 11 6 6 6 3 12 18 16 10 6 12 8 17 10 9 5 2 3 4 3 2 2 4 4 2 5 7 7 23 9 9 4 3 3 9 8 2 3 6 6 2 4 5 3 13 23 9 7 8 12 21 12 6 7 6 3 3 6 4 4 5 9 11 7 7 31 59 12 8 53 42 2 1 5 5 1 2 4 4 2 3 7 6 8 5 11 12 2 8 10 5 2 7 10 17 15 8 8 7 9 11 11 14 4 8 7 3 2 7 8 2 2 3 4 2 1 3 4 2 3 4 18 21 20 13 4 3 2 4 4 2 2 5 11 14 15 16 46 26 11 7 5 12 17 14 4 0 2 5 3 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 2 2 4 3 1 3 4 3 4 6 9 10 7 8 6 8 26 39 8 5 2 3 4 2 1 3 3 2 2 3 4 3 4 12 96 100 8 8 8 21 22 8 7 3 3 7 58 16 4 4 3 2 2 3 3 2 2 4 3 2 2 4 2 1 2 3 2 1 2 3 2 1 2 4 2 1 3 4 2 2 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 82 82 dd 1H J 18 75 | 75 75 ddd 1H J 12 21 90 | 75 74 dd 1H J 75 104 | 74 74 dd 1H J 76 90 | 71 71 t 1H J 22 | 68 68 ddd 1H J 13 22 77 | 52 51 dqd 1H J 17 79 106 | 50 49 s 2H | 16 15 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCN1CCC(c2cccc(NC(=O)C3CC3)c2)CC1)c1ccc(C(F)(F)F)cc1
ir: 4 5 7 8 6 4 5 3 3 2 2 2 2 3 4 4 7 4 2 2 3 3 6 27 6 9 7 3 9 15 17 13 10 4 5 6 8 15 28 11 12 5 9 4 6 14 22 57 36 32 6 6 5 11 6 15 15 11 2 4 3 4 2 1 2 3 4 11 7 1 5 5 4 1 2 2 1 1 2 3 7 3 50 10 25 17 16 9 9 15 4 2 4 1 3 3 2 2 26 96 43 13 6 4 10 29 12 5 6 4 14 16 30 13 12 4 3 4 6 6 9 3 6 11 5 4 22 6 17 7 5 2 2 4 2 5 2 5 8 9 23 72 27 15 17 12 60 21 14 54 31 16 6 19 6 3 9 4 2 2 4 2 15 7 3 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 1 1 1 2 3 3 7 2 2 1 4 3 2 9 11 24 12 28 100 51 18 13 5 6 4 5 2 2 3 2 0 1 1 1 1 1 1 1 1 4 8 13 40 33 10 5 3 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 s 1H | 79 78 m 2H | 77 77 dq 2H J 14 113 | 75 75 ddd 1H J 12 21 79 | 74 74 td 1H J 7 22 | 72 72 t 1H J 78 | 70 69 ddt 1H J 9 20 77 | 30 29 m 4H | 26 24 m 3H | 24 23 m 3H | 20 19 ddt 2H J 55 82 130 | 17 16 m 6H | 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)OC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)C[C@H]2CC=C[C@H]21
ir: 12 7 9 10 5 3 3 4 1 11 12 6 5 3 3 3 1 3 3 1 2 5 13 4 6 6 7 11 22 41 35 46 14 13 5 14 10 29 10 5 3 2 2 1 7 0 1 1 2 1 1 2 2 2 6 4 2 1 3 0 4 4 4 6 3 8 2 1 1 0 12 2 1 11 2 1 1 1 1 1 1 1 1 3 6 3 3 1 1 1 1 1 2 2 3 3 5 4 5 11 10 2 4 5 2 6 10 3 5 9 4 3 1 1 2 3 2 7 6 13 12 11 30 15 18 10 13 15 9 18 18 7 9 6 4 3 2 7 13 10 5 5 11 68 87 100 16 6 10 36 13 2 11 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 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 4 1 1 3 3 7 1 4 3 3 10 15 12 85 44 23 20 2 2 1 1 5 1 1 1 1 4 3 1 1 1 1 1 1 1 1 2 1 4 8 25 41 12 3 1 1 1 0 1 1 1 0 0 0 1 0 1 0 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 59 58 tdt 1H J 9 17 64 | 56 56 dtd 1H J 16 29 66 | 53 52 t 1H J 54 | 36 36 dd 1H J 55 137 | 34 33 dd 1H J 54 138 | 26 25 dd 1H J 9 177 | 23 22 m 2H | 23 22 dt 1H J 14 43 | 21 20 m 1H | 19 18 dd 1H J 70 126 | 18 17 m 1H | 17 16 ddd 1H J 9 68 126 | 14 14 d 18H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(C)cccc1COC1CCCC(OCc2nc(-c3ccc(Br)cc3)oc2C)C1
ir: 2 5 3 3 2 5 4 7 7 3 2 6 1 2 3 2 2 6 4 4 1 1 1 2 3 2 2 1 1 0 0 1 1 2 2 1 4 5 1 3 1 1 1 2 2 9 13 11 9 21 5 7 6 52 19 8 4 6 4 1 2 2 6 4 2 2 3 2 5 11 4 11 3 3 3 3 5 5 5 9 3 5 1 1 2 3 2 1 0 0 1 1 2 1 1 1 0 3 2 2 1 1 1 1 3 2 3 4 7 16 31 4 6 4 7 2 2 3 5 3 1 3 7 9 8 15 3 3 4 3 2 3 4 3 4 5 2 1 1 3 20 2 3 2 3 7 5 14 5 6 2 1 4 1 1 0 1 26 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 0 2 3 2 3 3 5 2 2 3 5 16 12 14 13 100 22 7 5 4 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 77 76 m 2H | 73 72 m 2H | 72 71 ddt 1H J 8 15 79 | 48 47 dd 1H J 8 131 | 47 47 d 1H J 148 | 47 46 dd 1H J 7 132 | 46 45 d 1H J 148 | 41 39 dtt 2H J 45 58 151 | 39 39 s 3H | 25 24 d 3H J 6 | 24 23 s 3H | 21 20 dt 1H J 59 143 | 19 16 m 4H | 16 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C(=O)N2C(CN1C(=O)OCc1ccccc1)OCCC[C@H]2CO
ir: 5 3 5 4 3 3 3 3 2 3 4 10 7 4 2 3 2 2 2 2 2 2 2 2 2 3 4 2 2 2 6 3 2 2 4 4 3 7 4 5 6 3 3 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 4 3 6 3 5 4 2 2 2 3 5 2 3 3 2 3 2 3 3 5 5 11 4 7 11 5 5 4 3 4 8 3 3 2 2 2 2 2 2 2 2 2 2 2 3 4 5 5 6 7 6 4 6 4 4 5 2 4 3 3 2 3 2 3 3 3 3 5 2 2 3 2 1 3 4 4 2 3 3 1 100 0 2 5 3 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 2 3 2 3 3 7 4 4 11 5 3 3 3 3 9 8 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 5H | 53 53 t 1H J 43 | 52 51 s 2H | 47 46 q 1H J 78 | 42 41 dd 1H J 42 114 | 40 39 dd 1H J 42 114 | 39 38 dt 1H J 62 108 | 38 36 m 2H | 37 36 m 2H | 35 34 t 1H J 59 | 19 18 m 1H | 18 17 dtdd 1H J 67 74 99 118 | 17 16 m 2H | 13 13 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCCOc1cccc(CN2CCCCC2)c1
ir: 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 3 1 1 1 1 2 4 7 5 4 3 8 4 5 3 2 1 1 2 4 6 13 6 2 1 1 1 1 1 2 10 10 5 5 1 1 5 2 1 1 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 2 0 2 2 4 4 2 3 9 8 7 7 3 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 6 2 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 5 3 2 1 0 1 1 1 1 1 2 2 1 3 9 4 6 6 4 2 3 9 67 100 8 3 0 2 3 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 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 72 t 1H J 82 | 71 71 ddq 1H J 10 20 81 | 69 69 ddd 1H J 13 22 81 | 68 68 tt 1H J 9 22 | 41 40 t 2H J 57 | 36 35 d 2H J 10 | 32 32 tt 2H J 56 64 | 24 23 m 4H | 22 21 t 2H J 64 | 20 20 p 2H J 56 | 16 15 dtd 4H J 32 48 60 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(-c2nc(N3CCOCC3)sc2-c2nnc[nH]2)c(Cl)c1
ir: 1 1 1 1 1 1 2 1 0 0 1 1 0 0 0 0 2 1 0 1 1 1 0 4 2 1 2 3 2 1 1 1 1 7 28 3 6 1 1 2 1 1 1 2 1 0 1 2 1 3 10 31 7 5 11 22 8 1 1 0 1 4 1 2 7 19 7 5 2 3 2 1 3 7 1 0 1 0 1 0 1 1 1 1 1 1 2 2 6 2 7 3 2 2 1 2 2 2 3 5 3 1 2 7 3 2 4 7 2 1 1 2 1 3 2 2 2 1 1 6 3 9 0 2 0 0 1 0 1 1 0 8 2 1 1 1 2 8 3 1 1 9 1 1 1 0 1 15 14 2 1 100 7 2 2 0 1 1 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 0 1 1 3 4 4 13 6 2 4 1 1 1 1 1 0 0 0 0 1 0 1 0 0 1 1 3 1 1 2 2 26 4 15 1 3 4 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 d 1H J 40 | 77 76 d 1H J 90 | 75 75 d 1H J 22 | 74 74 dd 1H J 22 90 | 39 38 m 5H | 36 35 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)c1nnc2c(-c3ccc(F)cc3OC)cccc2c1N
ir: 3 1 1 3 3 1 1 2 1 1 2 1 1 2 1 2 2 3 4 1 1 1 3 4 5 13 13 38 5 5 3 8 4 2 1 1 1 5 2 2 2 1 1 4 5 74 7 7 4 2 1 1 1 4 8 4 9 4 1 2 1 2 1 1 6 1 2 4 1 1 1 1 1 1 1 1 1 1 4 1 1 1 2 3 9 1 1 1 1 1 0 2 2 1 2 1 1 1 1 1 1 3 2 1 2 1 1 1 1 1 1 2 3 1 0 1 1 2 2 1 2 3 1 4 1 3 1 1 1 1 1 1 1 2 0 1 1 0 0 7 3 3 2 8 1 2 1 5 11 13 6 2 5 8 1 2 6 9 1 3 11 10 3 2 4 2 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 3 2 6 2 5 16 14 3 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 4 61 3 3 3 9 8 6 4 1 2 4 28 100 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 1H | 79 78 dd 1H J 7 86 | 78 77 t 1H J 54 | 76 76 dd 1H J 49 83 | 76 75 t 1H J 86 | 73 73 s 2H | 71 71 ddd 1H J 22 83 104 | 68 67 dd 1H J 21 121 | 39 38 s 2H | 34 34 q 2H J 53 | 16 15 qt 2H J 54 72 | 9 8 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=NC#N)Nc1cccc(C(=O)OC)c1
ir: 13 5 3 2 10 8 10 5 7 2 5 3 4 3 2 5 5 13 8 13 7 4 8 13 27 22 8 4 10 7 29 12 9 4 8 3 3 1 2 3 2 1 1 3 3 3 7 49 2 2 3 6 3 1 2 6 5 3 3 2 1 1 2 2 2 2 2 2 4 2 2 2 2 2 2 3 4 1 2 2 3 3 2 2 1 1 2 2 0 1 2 1 1 2 2 3 10 5 4 2 1 2 4 3 2 44 7 5 1 3 9 7 1 3 3 3 19 7 5 3 7 21 3 5 0 6 3 3 1 2 3 4 1 2 3 1 0 2 5 5 19 7 3 1 3 27 70 83 10 5 12 70 9 7 47 5 2 3 5 2 2 2 3 6 7 3 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 6 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 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 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 2 2 0 2 2 2 1 2 4 7 3 15 21 37 7 2 2 1 0 2 5 4 1 2 2 2 1 1 2 2 1 5 5 5 4 10 63 85 100 15 15 11 6 3 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 81 t 1H J 21 | 79 79 s 1H | 77 76 dddd 2H J 11 21 80 190 | 74 73 t 1H J 79 | 71 70 t 1H J 24 | 39 39 s 2H | 34 33 qd 2H J 24 57 | 13 12 t 3H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)CC(=O)C(C)C
ir: 16 8 3 5 4 6 2 2 3 5 3 7 8 4 13 7 9 13 17 11 8 8 19 13 2 2 1 2 2 1 1 2 4 1 4 2 2 1 3 4 5 3 4 6 9 3 3 2 2 0 4 4 2 4 6 5 4 1 1 2 2 1 4 4 4 3 3 10 4 3 2 2 4 2 10 17 6 3 4 2 1 0 2 2 1 1 3 2 1 1 2 2 5 3 5 4 1 2 7 6 8 17 14 5 3 5 3 10 16 8 5 13 14 9 17 14 27 13 8 31 17 28 42 18 21 18 6 5 5 12 37 25 7 3 8 3 3 6 4 6 33 21 20 51 73 100 30 7 2 3 2 2 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 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 0 2 2 1 1 2 2 1 1 1 1 1 1 2 2 3 6 4 3 6 9 10 7 8 10 9 6 6 19 51 58 21 6 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 42 41 t 2H J 66 | 35 35 s 2H | 27 26 hept 1H J 68 | 17 16 p 2H J 68 | 14 13 h 2H J 70 | 11 10 d 6H J 68 | 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.
CC(C)(C)OC(=O)Nc1cc(Br)cc(CO)c1
ir: 8 7 12 3 3 1 3 2 1 5 3 2 2 3 3 2 1 1 2 1 1 1 2 3 5 11 11 11 10 9 23 19 6 19 6 11 6 8 5 2 3 1 1 0 1 1 1 0 1 1 2 3 2 1 4 1 3 3 2 1 2 9 10 7 3 6 15 14 15 18 4 2 1 1 2 1 1 1 1 2 3 2 14 7 11 28 100 62 7 21 12 17 9 12 11 5 4 2 5 3 0 2 2 2 14 25 3 3 2 4 5 1 1 0 1 1 1 1 5 4 4 3 4 3 9 7 4 9 9 14 10 14 3 1 0 1 1 1 0 1 1 0 4 16 66 11 2 5 20 16 25 7 3 4 1 1 1 1 6 16 8 18 9 3 2 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 1 1 1 1 1 1 1 4 3 2 1 3 3 3 8 3 2 5 3 8 7 20 6 21 15 41 15 6 2 3 4 12 58 64 13 6 4 1 1 2 1 2 1 1 2 2 5 28 82 43 19 7 5 3 3 4 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 t 1H J 22 | 75 75 tt 1H J 9 21 | 73 73 tt 1H J 9 19 | 71 71 s 1H | 46 46 dt 2H J 9 55 | 33 33 t 1H J 56 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1cccc(CCOc2ccc3c(c2)Cc2ccccc2C(CC(=O)O)C3)n1
ir: 3 6 4 4 1 3 4 9 9 14 8 7 11 4 5 5 7 9 15 14 22 78 32 17 22 9 6 4 5 3 3 3 4 6 4 4 5 2 1 2 3 4 19 4 1 11 12 19 10 5 3 3 3 7 4 3 3 7 2 2 3 2 3 2 9 8 3 8 4 4 2 5 8 4 2 1 4 10 24 17 9 7 3 4 2 2 2 5 4 5 4 6 12 5 4 4 2 2 3 3 3 3 2 2 3 2 1 6 8 3 3 5 5 3 5 5 2 3 3 4 2 5 7 8 3 6 5 4 3 3 6 2 2 4 3 3 6 5 9 3 6 9 13 45 11 8 15 49 6 9 7 5 2 2 3 13 35 41 11 0 3 2 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 2 3 2 2 2 3 3 3 13 13 2 11 100 29 6 3 4 2 3 2 3 74 55 7 2 2 2 1 1 1 2 1 1 2 4 4 7 26 60 18 7 5 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 t 1H J 77 | 73 72 td 1H J 18 76 | 72 72 m 2H | 71 71 ddt 1H J 9 18 79 | 71 70 dt 1H J 9 90 | 69 69 dq 1H J 10 75 | 67 67 dd 1H J 22 90 | 66 66 dt 1H J 9 20 | 64 64 dd 1H J 11 79 | 55 55 t 1H J 38 | 44 44 t 2H J 58 | 40 39 qt 2H J 10 101 | 37 36 m 1H | 35 34 qd 2H J 38 66 | 32 31 m 3H | 30 28 m 2H | 27 26 dd 1H J 88 165 | 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.
CCc1cc(NN)nnc1Cn1ccnc1-c1cccc(F)c1
ir: 6 2 2 3 5 3 6 6 7 8 7 10 7 5 2 9 6 9 6 6 8 20 8 12 11 6 12 51 17 58 100 38 26 14 7 6 8 5 11 10 7 3 7 5 6 10 13 39 7 0 5 6 2 1 2 4 3 4 3 4 2 1 2 5 2 8 15 24 4 12 5 4 2 1 2 3 2 5 4 6 7 21 6 8 9 10 5 3 4 6 7 5 2 3 4 3 4 4 3 4 2 2 5 11 9 5 4 2 0 2 3 2 2 4 3 2 3 5 4 3 1 2 4 3 3 5 4 2 3 5 3 5 8 18 31 8 6 9 46 42 22 25 12 8 32 45 16 11 5 5 5 4 10 23 4 3 2 2 2 2 14 5 3 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 3 2 3 2 1 4 4 4 4 8 36 31 17 15 6 14 4 3 4 4 1 2 3 8 24 45 6 3 1 3 4 3 4 10 23 28 27 27 8 5 6 3 3 1 1 2 2 1 2 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 78 77 ddd 1H J 12 23 77 | 75 74 td 1H J 50 77 | 74 74 dt 1H J 22 121 | 73 72 d 1H J 38 | 72 72 dt 1H J 9 40 | 71 70 dddd 1H J 12 21 77 100 | 70 70 t 1H J 42 | 67 67 t 1H J 9 | 54 53 d 2H J 7 | 50 50 d 2H J 42 | 28 27 qd 2H J 9 79 | 13 12 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)OC1C[C@@H](C)[C@H]2[C@@H]3CC=C4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ir: 10 2 2 2 4 2 1 2 5 2 3 4 3 6 7 4 4 5 10 3 3 2 3 4 3 7 15 5 4 2 2 2 4 2 4 73 67 9 11 1 3 4 12 33 4 3 4 2 9 5 11 5 2 2 8 5 3 4 4 15 3 2 4 6 14 9 30 19 22 4 8 4 6 11 17 26 13 6 7 4 3 1 3 6 2 1 2 2 2 2 4 9 4 3 3 4 2 2 4 4 2 3 7 8 12 19 7 11 6 8 12 6 4 26 10 5 8 12 11 7 14 5 7 9 14 9 5 9 6 12 4 6 18 12 8 5 6 4 3 2 5 2 2 2 2 2 2 3 3 3 8 97 0 7 4 1 2 11 17 6 4 100 10 6 3 2 2 3 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 3 3 3 3 7 4 3 4 8 5 5 8 5 14 7 7 37 21 7 17 11 6 5 4 5 24 6 3 3 2 2 2 2 2 2 3 3 2 2 2 7 9 13 13 48 36 40 17 13 5 2 3 4 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 89 88 s 1H | 55 55 td 1H J 18 49 | 44 43 tq 1H J 16 59 | 43 43 dq 1H J 15 29 | 41 41 m 1H | 25 24 ddd 1H J 55 81 156 | 24 23 ddd 1H J 56 82 156 | 21 20 ddd 1H J 55 82 136 | 20 19 ddd 1H J 38 49 156 | 19 18 m 4H | 18 18 dddd 2H J 25 39 81 90 | 18 17 dt 1H J 58 137 | 17 16 m 3H | 16 14 m 2H | 13 13 m 1H | 12 10 m 2H | 11 10 s 3H | 9 9 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1(C)Cc2c(C)c(Cl)c(C3CC(=O)CC(=O)C3)c(C)c2C1
ir: 6 2 1 3 2 6 3 4 1 3 3 2 1 3 4 15 3 2 3 4 1 13 5 1 3 2 2 1 1 1 2 4 1 1 1 0 1 2 1 0 1 2 2 1 1 6 16 6 2 5 2 1 1 6 8 1 1 2 3 21 4 4 1 1 3 10 5 2 3 2 2 2 3 2 4 3 2 2 1 1 1 1 3 1 1 1 1 0 2 2 6 5 2 4 1 1 2 1 4 4 7 3 6 9 9 6 2 3 4 2 2 5 5 5 2 5 9 14 5 11 23 35 25 11 9 5 6 5 4 5 1 4 4 2 3 3 3 6 10 6 11 4 6 44 50 23 100 14 9 2 3 3 3 1 3 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 4 3 6 4 7 6 7 12 7 4 5 8 8 27 70 30 17 5 6 4 2 1 1 1 1 1 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 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 38 37 p 1H J 73 | 35 35 s 2H | 30 29 m 4H | 28 27 dd 2H J 73 157 | 27 26 d 1H J 148 | 26 26 d 1H J 149 | 23 23 s 3H | 23 22 s 3H | 17 16 dq 1H J 73 135 | 15 14 dq 1H J 73 135 | 10 10 s 3H | 9 8 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1OC
ir: 5 4 3 3 11 13 13 6 5 6 13 46 15 5 5 4 9 17 6 4 8 17 29 12 15 57 11 5 25 15 16 3 2 9 10 3 11 68 87 25 9 22 4 5 12 1 1 5 2 1 1 3 3 8 8 22 19 12 4 2 3 0 5 18 9 2 34 20 93 38 7 7 2 2 5 4 6 2 15 13 1 1 3 5 3 2 2 2 0 1 5 6 4 14 2 3 3 18 42 79 3 2 8 9 3 12 52 20 2 2 3 1 0 1 3 3 3 29 20 7 5 10 11 6 14 5 3 3 2 2 2 5 2 2 30 3 1 3 4 12 9 6 6 17 30 42 11 27 89 12 30 61 14 17 18 1 2 7 12 89 22 2 3 42 28 3 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 2 1 2 1 1 2 2 0 2 2 2 2 5 13 9 11 29 81 90 13 7 7 2 2 3 2 2 2 2 2 1 2 2 2 1 1 1 2 2 5 8 6 24 100 23 28 5 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 90 s 1H | 84 84 m 2H | 76 74 m 4H | 72 72 dd 1H J 22 84 | 70 70 q 1H J 13 | 69 68 d 1H J 84 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Oc2cc(N)nc(SC)n2)cc1
ir: 4 4 4 5 2 2 3 2 1 2 2 2 2 7 8 5 3 3 2 2 2 2 3 2 2 1 1 2 2 2 2 1 2 4 5 12 15 7 8 5 3 3 2 2 2 2 2 2 1 2 2 1 2 2 2 3 4 3 2 2 2 3 3 9 9 5 3 2 2 2 2 2 2 3 3 6 3 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 3 2 1 2 1 1 1 1 1 1 2 3 10 3 2 3 2 1 2 1 2 2 2 1 1 7 2 1 1 2 2 1 1 2 2 1 0 9 7 71 14 1 2 4 5 8 8 5 2 1 1 3 2 1 33 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 1 1 1 1 1 1 1 1 2 1 2 2 2 3 4 18 5 3 1 1 1 2 2 1 1 1 1 1 1 2 1 1 2 2 9 2 2 2 1 0 2 2 0 0 7 14 100 7 0 0 2 2 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H | 71 70 m 2H | 61 60 s 2H | 56 56 s 1H | 39 39 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc(-c2cccc(N3CCCC3)n2)c1)NC1CCCCC1
ir: 0 1 2 2 0 4 17 3 0 2 2 1 1 1 2 1 1 1 2 2 1 3 10 5 2 2 2 1 2 4 8 4 1 6 6 3 4 4 3 13 15 85 21 8 8 12 48 17 14 2 6 2 2 4 6 3 3 1 2 4 8 6 2 3 2 7 4 9 10 10 2 0 1 2 1 1 3 2 2 7 10 4 3 4 2 2 1 2 3 3 12 11 6 8 2 3 2 8 2 1 1 4 2 1 5 8 21 12 4 6 17 16 12 5 3 6 3 2 2 4 3 3 2 2 2 2 4 4 2 3 3 3 8 7 1 2 2 1 3 41 29 7 8 15 8 5 23 4 5 71 34 12 12 17 92 7 10 20 56 39 7 5 3 4 8 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 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 5 3 2 3 4 4 6 17 9 18 29 100 15 8 2 2 2 2 2 2 2 1 1 2 2 2 1 2 3 3 4 5 7 26 67 47 19 10 9 2 3 3 4 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 m 2H | 77 76 dd 1H J 13 77 | 76 76 ddd 1H J 13 22 82 | 75 75 m 2H | 75 74 t 1H J 82 | 67 66 dd 1H J 11 71 | 63 63 d 1H J 78 | 37 36 m 4H | 34 33 dp 1H J 48 81 | 21 20 m 4H | 18 17 dddd 2H J 47 60 86 133 | 17 16 m 2H | 15 14 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn([C@@H]2CO[C@H](CO)C2)c(=O)[nH]c1=O
ir: 6 5 3 4 5 7 6 4 4 4 3 4 4 3 4 4 4 3 4 4 5 9 8 4 4 4 4 4 4 4 6 4 3 3 3 4 4 4 3 4 3 3 3 7 6 4 6 4 4 3 5 5 7 0 40 100 11 10 8 6 7 9 11 20 5 4 5 4 5 4 4 6 4 4 5 9 6 5 4 4 4 6 5 5 7 9 19 12 4 4 5 6 3 3 6 5 4 3 4 3 4 5 5 5 4 4 7 6 3 4 5 5 10 13 7 7 5 5 4 4 4 4 6 3 4 11 7 3 3 4 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 4 5 9 27 10 7 27 40 13 6 4 3 3 3 4 9 50 38 5 1 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 5 4 4 4 4 6 5 5 6 5 4 3 4 4 3 7 9 11 3 4 17 12 3 3 3 3 3 3 3 3 3 3 3 3 3 14 21 6 7 7 6 7 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 91 90 s 1H | 74 73 p 1H J 16 | 42 41 m 2H | 41 40 dqd 1H J 19 37 55 | 39 38 m 1H | 38 37 ddd 1H J 38 60 119 | 35 35 ddd 1H J 39 59 119 | 33 32 t 1H J 60 | 24 24 m 1H | 22 21 m 1H | 19 18 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2cc(Cl)ccc2c1
ir: 6 5 6 5 2 4 2 1 3 10 5 8 0 20 11 13 12 8 27 66 40 12 41 100 45 9 6 9 15 5 3 1 4 3 2 2 2 3 2 1 2 2 2 1 1 1 2 0 2 3 2 11 12 8 8 23 10 2 1 1 2 2 1 0 3 16 6 3 10 16 4 5 3 10 23 4 12 22 35 2 15 32 4 3 3 12 8 5 13 4 3 4 3 2 2 1 2 1 1 1 3 4 6 31 38 8 6 1 1 1 1 1 1 3 11 5 21 12 14 4 3 4 7 6 7 8 4 2 1 1 1 1 1 1 1 1 3 1 1 2 18 13 2 5 24 5 15 20 19 14 7 2 3 16 4 4 14 8 12 1 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 6 18 24 11 16 38 8 4 5 3 2 2 10 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; 1HNMR: 86 85 t 1H J 18 | 80 80 dd 1H J 14 84 | 80 79 dd 1H J 21 84 | 79 79 dd 1H J 22 82 | 78 78 t 1H J 22 | 74 74 dd 1H J 23 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCC(O)(c2cccc(-n3ncc4cnc(Cl)cc43)n2)CC1
ir: 16 13 40 18 17 9 8 18 7 14 40 43 33 20 11 23 7 14 10 9 10 31 13 6 5 6 7 6 8 7 7 9 16 16 7 6 9 9 14 9 7 8 8 7 6 6 7 13 67 28 8 8 8 8 7 7 13 10 12 19 17 14 9 8 9 19 35 8 9 7 9 7 10 8 6 6 6 6 13 14 38 12 11 7 9 15 39 18 21 21 14 9 22 8 7 19 42 27 11 7 8 12 12 12 14 26 8 7 7 11 7 8 16 15 12 11 11 16 23 20 31 16 10 14 30 44 15 23 17 24 24 39 27 19 13 9 17 13 9 9 12 8 7 6 7 6 6 5 11 100 17 84 11 5 7 11 38 10 16 8 6 4 50 0 8 7 6 5 6 6 6 5 6 6 6 6 6 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 6 5 6 5 5 6 6 6 6 5 6 6 6 5 5 5 5 6 5 6 6 6 5 6 6 10 7 7 7 9 12 8 7 6 8 8 11 14 17 6 10 33 26 9 8 7 7 10 61 16 6 6 6 6 5 5 6 6 6 5 5 5 5 6 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 6 5 5 5 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; 1HNMR: 92 91 d 1H J 18 | 82 82 d 1H J 18 | 81 80 m 2H | 76 75 s 1H | 75 74 dd 1H J 15 68 | 43 43 s 1H | 37 36 m 1H | 35 33 m 3H | 24 23 m 2H | 22 19 m 3H | 19 18 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCCCCCC1=CC(Br)CC1=O
ir: 10 8 19 31 5 9 8 8 4 11 6 5 12 7 19 4 4 6 6 5 3 3 2 2 15 4 3 22 4 3 4 1 2 1 4 3 13 20 17 7 5 5 4 5 4 3 4 2 2 3 3 2 2 3 3 3 2 0 5 15 22 25 35 10 12 13 4 6 6 8 5 2 4 8 11 3 10 4 5 1 1 1 1 1 0 1 2 7 1 1 2 7 3 4 3 3 6 30 6 11 19 28 58 11 2 8 27 40 60 35 17 8 33 18 26 8 33 38 48 16 34 22 58 33 22 16 25 4 5 19 11 14 10 3 3 3 4 3 4 3 3 2 14 15 46 100 49 11 4 2 2 1 1 2 8 11 3 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 2 1 3 3 9 10 10 18 26 7 8 10 40 9 14 31 70 41 35 19 6 2 2 4 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 69 68 dp 1H J 12 34 | 48 48 m 1H | 42 41 q 2H J 66 | 30 29 ddd 1H J 9 59 152 | 27 26 ddd 1H J 9 60 152 | 24 22 m 4H | 16 15 m 4H | 14 13 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.
Cc1cccc(NC(=O)NCC(=O)N(CC(=O)OCC(F)(F)F)c2ccccc2)c1
ir: 0 4 7 3 3 1 1 2 1 1 2 3 4 2 3 1 1 1 1 1 1 2 3 2 4 2 6 8 3 9 3 4 6 12 10 10 5 4 12 23 31 33 8 6 13 5 7 19 13 6 1 2 1 1 1 2 2 0 1 1 1 0 1 2 1 2 2 15 7 7 2 2 9 5 1 2 9 1 2 2 1 2 2 1 1 0 0 1 2 4 29 4 1 1 1 1 1 1 4 2 3 1 7 3 11 23 5 4 2 1 2 1 2 1 2 1 1 2 4 6 8 9 4 6 21 30 27 5 8 9 4 2 4 6 3 7 1 1 2 2 2 3 5 7 14 5 2 13 25 11 33 3 10 3 5 4 3 2 1 0 6 7 54 3 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 3 3 2 2 2 1 2 2 2 4 5 8 11 100 21 4 2 2 3 0 3 2 2 3 1 2 1 0 1 1 0 1 3 3 10 5 24 33 11 25 10 4 2 3 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 s 1H | 75 74 t 1H J 50 | 74 74 m 2H | 74 73 m 2H | 72 72 tt 1H J 13 75 | 71 71 t 1H J 24 | 70 69 t 1H J 76 | 68 68 m 1H | 67 67 ddd 1H J 13 22 79 | 49 49 s 2H | 48 47 q 2H J 130 | 40 39 d 2H J 49 | 23 23 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1Cc2c(-c3noc(CN4CCCC(C)(C)C4)n3)ncn2-c2ccccc2C1=O
ir: 4 13 10 10 11 9 6 6 6 8 8 7 5 4 5 5 3 5 6 5 24 31 12 6 6 7 5 3 6 7 8 7 6 15 52 70 4 6 10 7 10 8 20 26 38 5 5 5 4 5 10 4 15 8 6 8 5 8 27 5 6 9 5 9 5 4 5 5 5 12 4 16 10 6 7 7 4 3 4 11 26 30 10 11 13 6 5 4 7 4 6 14 9 5 4 6 10 8 9 9 10 7 3 4 4 6 6 32 20 6 5 12 19 12 9 18 4 5 5 7 7 7 11 12 31 35 24 32 100 37 17 19 8 7 11 15 14 13 8 21 89 55 6 5 5 4 4 15 8 9 8 0 13 16 6 4 12 3 4 4 4 7 4 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 4 5 4 4 4 4 5 7 6 4 4 4 6 7 4 26 24 23 67 22 5 5 5 4 3 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 85 84 s 1H | 81 80 dd 1H J 16 74 | 77 76 dd 1H J 14 84 | 76 75 ddd 1H J 16 71 86 | 74 73 td 1H J 15 72 | 49 48 s 2H | 41 40 s 2H | 31 31 s 3H | 27 27 m 2H | 27 26 s 2H | 17 16 m 2H | 15 14 m 2H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1cnc(C)cc1C(F)(F)F
ir: 6 6 3 2 3 5 6 4 2 3 4 2 2 2 3 2 3 7 3 14 19 4 3 11 7 3 3 5 3 7 6 7 6 3 4 4 3 3 3 3 2 2 2 2 2 2 2 2 2 2 3 5 6 2 2 3 3 2 2 3 2 2 3 3 2 3 3 21 7 4 8 36 20 17 12 7 3 3 3 4 3 24 7 4 4 2 3 3 3 3 3 5 3 3 4 3 0 3 18 37 82 11 1 13 12 4 4 11 6 20 13 9 4 2 3 2 3 3 4 3 7 9 9 6 5 5 6 4 9 7 3 3 3 3 4 7 6 29 100 14 13 4 2 3 3 3 3 3 3 2 2 3 3 4 3 2 2 7 13 65 14 4 22 8 3 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 5 5 5 7 11 7 6 5 8 9 19 13 13 17 7 8 8 5 5 4 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 s 1H | 73 73 q 1H J 18 | 72 71 dd 1H J 110 165 | 57 56 dd 1H J 24 165 | 55 55 dd 1H J 24 110 | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1nnc2cc(OC3C4CC5CC(C4)CC3C5)c(C3CC3)cn12)C1CC1
ir: 5 8 2 3 5 4 13 10 11 9 15 9 2 3 4 4 6 3 3 2 3 5 6 2 4 6 8 9 5 3 3 4 3 5 3 6 12 7 10 42 8 24 18 15 14 12 4 13 21 11 4 13 24 23 28 28 33 26 28 10 16 8 11 4 5 11 11 57 12 13 6 4 5 16 18 4 4 6 3 6 13 4 4 6 9 13 33 81 13 4 7 5 5 3 3 4 3 9 18 21 14 5 3 6 5 9 11 12 21 20 25 49 7 9 3 3 2 2 1 3 4 2 9 2 3 3 0 22 18 24 7 6 14 64 19 6 5 11 16 5 19 2 2 1 1 4 8 46 12 13 5 9 6 10 28 6 3 2 1 3 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 2 3 5 2 5 2 19 8 13 6 14 8 6 14 21 26 21 8 8 2 1 2 3 1 0 1 3 2 1 1 1 1 1 3 3 2 2 4 15 100 37 6 4 2 2 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 92 91 d 1H J 19 | 91 91 s 1H | 69 68 s 1H | 44 44 t 1H J 57 | 30 29 m 2H | 23 22 h 2H J 60 | 19 18 m 7H | 18 17 m 2H | 17 16 m 2H | 16 16 m 4H | 15 14 m 2H | 11 10 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Nc1nc(=S)[nH]c2sc(C)c(C)c12
ir: 5 3 5 3 5 2 1 7 3 1 1 2 3 1 0 2 5 3 15 3 2 2 1 2 5 1 1 2 2 1 1 2 2 1 1 3 3 1 3 3 3 1 4 9 19 79 31 11 4 3 6 3 1 1 2 2 1 0 2 3 4 3 1 3 1 1 4 4 3 1 2 3 2 1 4 11 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 4 2 2 2 0 1 2 2 1 3 2 2 0 2 5 6 1 2 3 7 1 3 5 2 1 2 3 2 2 3 2 1 1 2 2 1 0 2 2 4 2 2 2 2 14 2 2 1 2 100 14 2 1 3 4 0 1 3 3 20 10 28 2 2 1 2 1 1 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 3 2 1 1 2 2 1 2 2 2 1 2 7 4 1 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 3 2 2 2 2 4 5 22 29 15 8 4 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 95 94 s 1H | 43 42 q 3H J 63 | 23 23 s 3H | 23 23 s 3H | 13 12 t 4H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1c[nH]c2ncnc(N3CCC[C@H]3c3nn4cccc4c(=O)n3-c3ccccc3)c12
ir: 4 2 0 2 5 2 1 3 8 2 6 17 6 5 8 10 4 3 4 6 3 3 4 7 6 3 2 3 9 30 5 3 5 4 13 4 8 14 38 14 4 4 44 42 12 13 4 5 3 0 2 4 3 0 3 4 3 0 3 5 2 0 3 4 2 1 3 4 3 2 3 4 2 0 3 4 4 6 13 3 3 1 3 3 1 1 3 6 8 3 6 5 2 5 4 3 5 13 3 2 1 2 4 2 1 3 7 5 4 10 9 3 1 5 10 9 1 3 4 2 1 2 4 3 4 6 7 4 2 2 3 2 3 4 13 9 2 3 3 2 3 3 18 16 12 5 5 4 5 4 3 12 4 4 18 32 100 22 10 1 4 9 2 1 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 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 3 1 2 3 3 1 2 6 6 1 6 11 19 7 28 11 5 2 2 3 2 1 2 3 2 1 3 3 3 6 3 3 2 4 8 3 3 3 8 5 3 5 11 3 1 2 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 83 82 d 3H J 71 | 77 76 dd 1H J 17 60 | 76 75 dd 1H J 16 53 | 75 74 m 3H | 74 74 m 2H | 71 71 d 1H J 73 | 63 62 dd 1H J 53 60 | 52 52 dh 1H J 18 53 | 40 39 m 1H | 39 38 m 1H | 23 22 dddd 1H J 36 45 82 105 | 21 20 m 2H | 20 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCCCn1cc(C=O)c2cccnc21
ir: 2 3 1 1 1 1 0 1 2 1 2 9 2 3 5 3 1 2 19 5 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 5 9 14 100 4 5 3 3 1 1 2 10 1 3 3 2 2 1 2 1 3 4 2 1 0 2 6 14 6 17 12 23 5 3 10 5 4 2 3 6 1 1 1 2 2 2 2 1 4 2 2 1 2 1 1 1 2 5 2 1 2 2 2 3 8 27 24 4 13 12 5 3 15 0 6 15 9 10 3 3 4 2 9 6 4 1 31 8 9 10 32 12 6 2 3 1 1 1 2 7 3 2 8 6 6 1 3 3 4 56 2 3 4 18 9 16 5 2 2 24 23 2 6 2 2 7 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 1 3 3 3 2 11 3 2 2 2 2 4 3 3 3 12 7 4 13 35 5 7 33 2 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1; 1HNMR: 86 85 m 2H | 78 77 d 1H J 10 | 74 74 dd 1H J 36 70 | 42 41 m 4H | 21 20 s 3H | 19 18 m 2H | 18 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)sc1C(C)(C)C
ir: 24 8 12 13 17 10 7 8 7 28 100 87 41 19 17 6 9 17 5 7 15 9 6 7 4 9 9 9 13 6 4 6 15 21 17 21 24 8 6 3 4 5 5 5 9 9 5 5 15 4 19 8 3 5 11 34 31 13 9 3 11 22 12 3 5 8 9 0 53 15 8 9 7 11 8 22 6 5 4 3 4 5 13 70 20 7 36 38 21 7 43 83 8 7 6 22 8 6 4 21 15 44 13 8 15 5 16 19 22 11 5 11 5 3 1 4 5 5 9 14 28 43 16 8 8 13 43 11 34 20 48 14 12 13 17 23 28 13 4 3 3 3 4 3 3 3 2 4 3 15 25 7 9 4 7 3 3 2 2 3 2 1 3 29 3 3 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 6 9 7 4 3 3 3 2 4 5 3 6 7 22 28 41 13 21 57 11 21 6 3 3 5 3 2 2 2 2 3 2 3 3 2 3 4 13 79 17 4 3 12 11 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 95 95 s 1H | 78 78 m 3H | 77 76 m 2H | 72 72 d 1H J 44 | 68 68 d 1H J 46 | 24 24 s 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(C(=O)O)C(=O)O)cc1
ir: 0 0 1 0 0 0 1 1 3 3 3 7 5 4 3 15 12 17 9 24 28 42 100 8 8 5 2 3 2 0 1 2 1 2 1 1 1 0 1 1 1 0 0 1 1 1 3 1 2 2 3 6 15 3 5 0 2 3 1 1 2 2 2 3 1 1 1 0 1 3 1 1 1 2 2 7 3 6 36 43 6 5 5 4 4 3 9 4 8 5 3 3 1 1 1 1 1 1 2 2 2 18 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 2 1 2 3 4 6 8 5 2 4 2 3 2 1 1 1 1 0 1 2 1 1 2 2 7 44 20 5 7 4 21 4 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 9 13 6 2 1 1 0 1 1 1 23 39 7 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; 1HNMR: 74 73 m 2H | 69 68 m 2H | 45 45 d 1H J 9 | 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)c1ccc(C=C2CCN(C)CC2)c(C(F)(F)F)c1
ir: 13 20 11 12 7 6 10 7 10 10 8 5 3 10 3 1 1 5 2 0 1 5 51 8 2 2 0 2 2 7 6 0 1 1 3 3 5 4 1 1 1 1 1 1 1 3 1 3 3 0 2 1 1 1 4 34 16 4 1 1 12 6 4 3 4 3 2 4 25 4 1 3 10 4 9 23 4 3 10 12 92 4 1 1 1 1 6 9 3 5 2 4 1 2 1 3 2 13 16 26 65 12 5 3 3 3 69 14 8 4 8 2 13 13 13 5 5 15 36 9 3 6 26 11 5 14 9 4 6 3 2 4 2 3 1 1 1 1 0 0 1 5 4 3 5 4 100 8 3 1 36 1 1 1 2 2 0 2 5 11 3 1 1 1 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 1 1 3 2 5 4 2 1 1 3 3 11 14 12 47 56 24 11 2 1 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 dt 1H J 13 25 | 80 79 dd 1H J 22 77 | 76 75 d 1H J 78 | 67 67 p 1H J 10 | 44 43 q 2H J 64 | 28 27 t 4H J 46 | 26 24 m 4H | 23 23 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.
O=C(O[C@H]1CCNC1)[C@](O)(c1ccc(Cl)cc1)[C@@H]1CCC(F)(F)C1
ir: 8 5 4 12 30 8 14 6 8 6 11 4 14 6 2 4 4 5 6 4 5 2 3 2 3 3 3 2 7 3 3 2 1 4 8 16 6 3 5 6 7 3 2 4 7 3 10 8 6 3 4 20 9 6 24 20 35 13 5 8 11 9 6 5 12 13 6 9 13 11 6 7 5 5 7 7 10 18 3 1 2 1 2 2 6 28 10 23 8 8 49 43 13 12 6 6 5 6 3 5 6 17 7 9 18 9 5 32 31 21 18 17 12 17 20 25 4 9 7 6 7 9 17 12 9 6 25 12 11 3 1 3 2 3 2 2 1 1 1 1 1 1 1 3 5 100 6 8 17 10 4 1 1 12 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 2 2 1 2 2 2 2 3 5 6 7 5 6 4 5 6 9 13 24 29 55 22 2 6 7 3 2 9 72 14 5 1 0 1 2 1 0 3 2 3 10 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; 1HNMR: 74 74 m 2H | 74 73 m 2H | 53 53 dq 1H J 23 45 | 41 40 s 1H | 33 33 m 1H | 31 30 ddt 2H J 15 39 131 | 30 29 ddt 1H J 28 46 133 | 29 28 m 1H | 26 25 tt 1H J 28 39 | 25 23 m 2H | 22 22 ddt 1H J 26 47 139 | 22 20 m 1H | 21 19 m 3H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCOc1cc2c(cc1CN)OCCO2
ir: 6 4 3 5 6 5 2 3 3 3 4 4 5 2 2 3 4 3 2 2 2 1 0 2 2 1 1 3 3 2 1 2 2 1 3 13 6 3 2 3 2 2 1 3 5 2 2 4 6 9 6 7 7 1 5 5 6 16 4 7 13 3 9 11 12 16 18 28 83 74 43 62 100 20 19 21 21 18 9 9 10 4 2 6 7 4 3 4 3 3 7 8 11 4 4 3 4 5 4 2 2 5 6 2 1 2 3 2 1 2 2 5 3 4 4 4 1 7 5 10 9 15 4 21 24 10 16 26 81 29 8 16 36 56 20 14 29 8 9 2 5 6 5 3 1 3 2 1 3 7 4 1 21 67 5 1 1 2 1 0 1 2 10 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 0 0 1 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 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 2 3 2 3 1 4 2 1 2 3 3 2 4 9 29 6 14 63 37 7 3 4 2 4 3 4 3 8 6 27 25 33 42 41 31 11 12 18 13 70 63 7 3 3 4 2 2 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 0; 1HNMR: 69 68 t 1H J 9 | 66 66 s 1H | 51 51 s 2H | 43 43 m 2H | 43 42 m 2H | 40 40 td 2H J 8 64 | 37 36 q 2H J 74 | 17 17 t 2H J 64 | 12 11 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(OCc2nc(C)c(C)nc2C)c(OC)c1
ir: 4 5 7 38 21 9 1 8 9 6 5 28 50 32 9 10 4 5 9 7 7 13 19 12 10 7 4 3 2 3 4 5 3 2 3 5 5 4 5 3 3 2 4 4 4 6 13 18 8 6 3 4 6 11 20 16 6 4 5 6 8 6 4 5 5 8 7 19 35 24 7 4 4 4 8 4 2 3 3 3 2 2 2 3 2 2 2 3 3 5 8 8 12 26 15 8 20 14 9 5 4 6 8 5 4 4 6 6 10 9 3 6 6 7 0 28 16 22 17 9 5 6 7 5 2 9 12 5 25 10 5 64 33 11 14 4 3 3 4 2 2 7 22 20 42 100 6 6 4 2 6 19 23 13 4 4 5 3 3 2 2 3 2 2 2 3 2 1 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 4 4 6 3 3 4 4 4 5 4 4 5 3 5 14 20 13 33 28 18 7 8 5 5 2 3 4 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 76 76 dd 1H J 20 86 | 75 75 d 1H J 20 | 70 69 d 1H J 86 | 53 53 s 2H | 39 39 s 5H | 24 24 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cc(C(=N)NO)cs1
ir: 10 15 8 5 6 15 6 9 10 7 6 11 2 10 5 2 4 5 5 3 2 2 4 12 10 10 3 3 3 4 2 9 3 6 6 5 6 2 3 1 1 1 1 2 1 1 3 10 44 9 3 1 2 2 1 3 6 4 2 2 3 5 2 1 1 2 1 1 2 5 3 1 1 2 2 10 7 6 1 1 16 14 2 3 2 4 4 2 3 3 1 1 17 5 5 100 7 3 9 17 1 1 3 2 0 1 2 1 0 4 2 1 0 1 2 1 1 1 2 2 4 3 7 2 1 1 2 1 2 4 2 4 1 1 1 3 9 10 3 7 3 3 3 1 3 28 4 47 4 55 6 13 2 1 1 1 1 1 1 1 1 2 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 3 7 2 4 5 7 0 7 10 13 1 2 5 3 2 2 2 2 2 5 23 90 10 3 4 2 3 6 15 93 5 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 d 1H J 24 | 81 81 s 1H | 75 75 d 1H J 16 | 75 75 d 1H J 16 | 68 68 s 1H | 62 62 d 1H J 24 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCC1Cc2cc(Cl)cc(-c3cccc(C)c3C)c2O1
ir: 1 1 1 1 1 3 6 2 1 1 1 2 1 2 1 1 1 1 0 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 2 9 17 29 8 37 11 12 4 0 2 1 3 15 6 7 14 6 1 2 1 1 1 2 1 1 1 2 1 2 4 2 6 4 4 2 3 2 5 2 3 2 1 2 1 1 1 2 1 1 1 1 3 6 2 3 3 1 2 5 4 3 6 1 1 1 2 0 1 1 0 3 4 2 0 2 2 1 0 1 3 9 100 6 3 4 2 6 1 5 3 3 1 2 5 1 3 1 1 6 11 9 4 1 4 17 5 1 0 1 1 1 2 2 3 0 1 1 1 1 1 1 2 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 1 0 0 1 1 0 0 1 1 2 1 1 1 2 3 1 1 1 1 2 1 3 6 2 14 13 7 2 3 1 1 1 3 1 1 1 1 1 1 1 2 3 1 2 37 64 4 2 1 2 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 11 77 | 74 74 d 1H J 22 | 73 73 t 1H J 77 | 72 72 dt 1H J 9 20 | 71 71 ddd 1H J 8 15 71 | 50 49 tt 1H J 29 45 | 33 32 ddd 1H J 8 44 150 | 32 31 m 1H | 31 30 ddd 1H J 8 44 150 | 30 29 m 2H | 25 24 m 3H | 24 24 d 3H J 7 | 23 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC[C@@H](C1CC1)n1nc(Nc2ccc(S(=O)(=O)N3CCC3)cc2)c2c(=O)[nH]cc(CO)c21
ir: 4 2 2 4 4 4 6 6 12 11 11 11 10 9 7 8 16 11 7 14 11 4 13 4 4 11 15 5 7 10 2 6 12 15 4 7 13 15 10 4 4 10 4 2 5 2 1 2 2 1 2 2 7 5 4 5 13 4 24 2 2 3 2 13 9 2 3 4 5 2 1 1 1 0 1 4 5 12 9 2 2 10 11 8 53 11 15 10 7 6 10 7 3 8 2 2 4 9 16 6 8 2 1 5 31 4 3 4 13 3 2 2 2 1 1 2 2 3 8 2 4 12 2 2 1 5 2 2 1 1 1 1 2 1 0 1 1 1 1 4 1 0 1 1 6 3 4 4 14 15 4 4 7 16 35 15 4 12 8 3 1 2 9 72 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 0 1 2 1 0 1 1 2 1 1 1 1 1 2 4 2 3 2 5 11 15 4 4 17 4 6 13 8 100 13 69 29 2 4 2 2 1 1 2 1 1 2 2 5 30 17 39 14 5 3 2 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 77 77 m 2H | 76 75 m 2H | 74 73 dt 1H J 13 55 | 47 47 dt 1H J 18 51 | 46 46 dd 2H J 13 52 | 40 39 t 1H J 52 | 33 33 td 4H J 23 64 | 30 30 dd 1H J 18 112 | 28 27 dd 1H J 19 113 | 20 20 p 2H J 63 | 18 18 h 1H J 48 | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NN[C@@H]1COCC[C@H]1O
ir: 3 3 3 2 2 4 5 8 7 6 5 6 9 10 5 7 8 9 5 19 28 20 11 13 15 9 27 28 16 13 17 5 10 6 5 2 6 6 6 11 7 10 10 18 19 27 16 8 34 15 13 3 10 4 8 2 5 9 6 2 3 5 3 0 3 5 2 2 4 6 3 5 6 4 7 7 8 6 6 1 6 6 1 1 4 5 4 14 5 38 30 18 11 7 14 3 5 3 4 3 4 4 4 4 6 7 5 6 6 9 5 3 6 5 5 3 5 4 3 2 4 4 9 7 5 9 20 9 15 20 19 12 11 4 7 10 34 31 10 9 14 6 14 50 19 5 3 3 2 2 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 2 2 2 2 3 1 1 3 2 2 5 4 1 2 2 2 3 3 0 15 100 73 16 4 3 5 6 15 89 58 13 6 16 20 16 19 15 75 63 13 7 4 2 2 3 1 1 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 39 38 m 2H | 38 38 ddd 1H J 35 62 110 | 37 37 dt 1H J 36 64 | 37 36 ddd 1H J 34 60 110 | 36 35 d 1H J 57 | 35 35 dd 1H J 41 118 | 35 34 d 2H J 37 | 31 30 tdd 1H J 15 42 66 | 20 19 ddt 1H J 35 60 147 | 18 17 dtd 1H J 34 62 146
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccccc1-c1cccc2c(N)c3c(nc12)CN(C1CCC1)C3=O
ir: 2 2 3 2 1 1 2 4 4 3 2 4 2 5 7 6 11 6 7 4 8 8 12 8 5 7 14 9 8 5 3 4 2 3 3 2 3 4 2 6 19 21 17 9 26 40 50 10 5 2 3 7 4 4 9 16 4 5 3 2 2 4 4 4 2 3 2 3 3 2 3 2 3 3 3 3 3 5 5 5 2 3 4 4 4 2 4 5 2 3 4 2 2 2 1 1 2 2 1 2 2 4 6 5 4 2 2 2 3 3 1 1 2 3 5 4 2 5 8 1 2 1 1 2 3 2 2 3 6 2 1 2 2 2 2 7 6 6 3 4 6 13 3 3 3 3 9 8 14 12 7 2 3 11 13 24 11 1 100 8 3 64 30 3 11 0 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 3 2 2 2 3 5 7 8 24 17 11 3 2 2 2 1 2 2 2 1 3 2 2 2 3 3 44 5 1 2 2 2 2 2 2 2 2 9 64 40 5 2 3 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 82 dd 1H J 7 86 | 82 81 dd 1H J 7 86 | 78 78 dd 1H J 14 64 | 77 77 dd 1H J 13 76 | 76 76 td 1H J 14 74 | 76 75 m 2H | 74 74 s 2H | 47 47 s 2H | 42 42 p 1H J 52 | 20 19 m 2H | 19 18 m 2H | 18 17 dtdd 2H J 9 51 77 112
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(Oc2cc3[nH]c(C)nc3cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)c(Cl)c1
ir: 4 3 7 8 12 14 5 10 6 10 8 5 4 6 4 8 8 4 2 7 6 100 8 2 6 9 11 5 9 18 6 4 15 4 5 8 10 8 9 6 7 5 5 4 6 5 4 4 4 8 8 9 8 24 37 9 9 9 7 3 3 4 5 5 35 7 6 16 11 16 8 7 6 3 3 2 4 3 7 4 5 7 12 6 7 8 16 13 5 6 7 6 5 4 3 4 10 8 17 6 4 9 7 6 12 7 4 3 3 6 3 5 4 3 5 7 10 8 7 30 11 6 6 4 5 4 5 5 4 6 21 4 3 3 2 3 3 2 22 6 5 6 6 2 67 6 8 13 35 9 14 16 7 8 14 63 5 0 2 7 4 2 2 4 3 2 3 4 2 1 2 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 4 4 5 3 3 4 4 5 8 5 8 14 35 48 4 4 6 3 3 3 3 3 3 2 2 3 3 3 2 3 3 3 3 4 3 3 4 11 52 31 7 7 7 3 3 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 79 78 d 1H J 94 | 77 77 m 2H | 75 74 dd 1H J 22 95 | 73 73 m 2H | 71 71 ddt 1H J 8 19 87 | 70 69 d 1H J 87 | 37 36 m 6H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1CN1CCCCC1=O
ir: 15 15 17 8 11 6 4 6 10 9 15 12 15 18 8 14 18 18 18 36 33 100 53 54 40 12 16 9 22 6 4 5 7 3 6 10 12 6 5 9 13 16 39 11 14 6 13 9 7 15 10 13 8 7 5 9 6 1 4 6 2 3 7 8 4 2 11 15 9 2 4 7 5 4 7 9 14 21 56 24 10 8 6 12 20 15 11 18 48 10 9 5 4 3 8 5 6 11 10 6 7 5 3 4 12 7 12 15 15 8 4 20 13 9 20 18 8 18 13 11 4 9 10 9 9 12 10 17 21 12 29 9 4 6 9 4 5 6 9 15 77 32 25 57 54 40 27 13 24 66 44 47 13 7 4 1 2 4 3 4 15 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 4 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 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 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 2 3 3 1 2 4 3 2 5 6 8 5 6 5 8 5 7 18 23 11 5 46 13 3 4 4 3 2 5 13 25 38 11 8 3 1 3 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 85 84 s 1H | 47 47 s 2H | 44 43 q 2H J 64 | 38 37 ddd 2H J 63 91 137 | 36 35 ddd 2H J 63 91 137 | 35 35 m 2H | 26 25 p 1H J 58 | 24 24 m 2H | 24 23 m 2H | 21 20 dddd 2H J 57 64 91 124 | 18 17 m 4H | 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.
O=S(=O)(Oc1cnc(Cl)nc1-c1cc2c(F)cccc2[nH]1)C(F)(F)F
ir: 3 5 3 1 2 4 2 2 1 8 5 2 1 1 0 1 1 1 1 0 0 1 1 1 1 3 7 1 1 4 7 3 1 1 1 1 4 2 1 6 9 3 2 1 1 1 3 4 3 2 1 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 1 4 18 2 0 1 2 0 0 0 0 2 0 1 0 0 6 100 6 2 1 1 1 1 0 4 0 1 0 3 4 2 1 0 0 0 0 0 1 1 0 3 2 1 1 2 1 0 1 0 0 0 0 0 0 1 0 1 0 2 7 2 0 1 0 0 0 1 1 1 3 4 4 1 0 1 2 1 1 1 0 5 3 3 1 1 0 1 2 5 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 1 5 4 9 3 1 1 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 10 6 5 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 s 1H | 79 79 d 1H J 47 | 74 74 dd 1H J 14 76 | 73 72 td 1H J 51 78 | 72 71 ddd 1H J 15 78 105
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc2[nH]cc(C3=CCCCC3)c2s1
ir: 0 1 3 3 0 1 3 3 0 4 6 8 2 12 18 12 3 6 9 4 2 21 40 98 28 5 0 4 5 11 11 5 3 3 5 5 2 2 9 2 2 9 29 64 14 5 2 4 3 1 2 3 3 2 7 4 2 1 2 5 2 2 4 2 17 12 2 6 8 7 5 3 3 3 31 17 84 19 16 100 2 2 3 2 4 4 1 2 8 8 8 2 2 2 1 1 2 1 1 1 1 1 2 1 2 2 1 3 79 21 12 16 9 9 34 13 6 6 4 4 41 34 9 6 4 4 5 4 3 6 8 2 3 2 2 2 8 13 5 1 1 5 47 21 8 44 9 2 3 15 19 12 4 0 1 3 2 0 2 14 1 2 2 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 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 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 3 2 2 3 3 2 2 4 4 8 17 3 6 3 32 18 24 11 6 3 3 4 7 19 2 1 1 2 3 2 1 1 1 2 2 4 2 6 6 53 99 17 4 2 3 2 2 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 d 1H J 64 | 78 77 d 1H J 62 | 76 76 s 1H | 64 63 tt 1H J 9 46 | 28 28 m 2H | 22 21 dddd 2H J 10 46 59 71 | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1(CC)CN(c2ccccc2)c2cc(OC)c(O)cc2S(=O)(=O)C1
ir: 13 7 7 16 49 19 25 11 14 10 7 6 8 4 3 7 9 4 2 6 7 4 4 7 6 3 2 7 7 3 3 9 11 2 3 8 7 3 7 8 8 16 21 16 8 4 10 11 5 2 4 8 5 0 4 8 4 0 5 8 5 1 7 8 5 20 23 17 29 12 11 7 10 5 13 11 11 12 12 10 4 4 52 18 4 15 20 11 6 4 8 7 3 3 9 7 2 5 18 12 6 6 11 7 7 4 7 5 3 4 10 8 4 7 12 6 6 6 10 5 3 6 8 5 2 5 13 14 7 8 7 4 4 6 7 9 4 6 8 3 3 10 9 7 11 30 9 3 16 10 7 3 10 18 11 2 3 7 4 1 3 10 6 13 8 8 4 1 3 7 4 1 4 7 4 1 4 7 3 1 4 6 3 1 4 6 3 1 4 6 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 7 4 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 3 5 6 3 2 5 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 6 5 4 4 6 5 1 5 9 7 4 6 7 7 2 6 10 10 9 15 36 17 28 8 4 9 8 5 100 56 0 6 8 3 1 5 6 2 1 5 6 2 1 5 5 2 2 5 5 2 2 5 5 2 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 7 4 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1; 1HNMR: 73 72 m 2H | 72 72 s 1H | 71 70 ddt 1H J 13 74 89 | 70 70 s 1H | 70 69 m 2H | 68 68 s 1H | 41 40 d 1H J 121 | 39 38 m 3H | 36 35 d 1H J 148 | 34 33 d 1H J 147 | 17 16 dq 1H J 71 128 | 15 15 m 1H | 15 14 m 1H | 14 13 m 1H | 14 12 m 5H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c(C=CC(C)=CC=O)c(C)c1C
ir: 6 3 2 4 7 3 1 3 5 2 1 4 6 4 8 7 6 2 1 4 5 2 1 5 6 2 2 4 4 1 2 6 4 1 2 5 4 1 2 5 3 1 2 4 3 0 2 5 3 2 3 5 3 0 3 6 4 1 8 6 3 1 5 7 12 6 12 13 7 7 17 17 11 22 42 22 13 1 23 100 36 12 7 6 3 3 4 4 2 2 4 4 1 2 4 4 2 3 6 4 3 4 7 12 5 5 10 6 5 21 7 9 2 4 6 5 5 7 12 7 9 9 8 4 3 3 5 4 2 8 8 4 3 5 5 5 6 7 10 8 4 5 5 2 2 4 4 4 3 4 3 4 3 4 3 2 2 4 5 33 8 26 12 0 3 5 6 21 8 6 3 0 3 5 2 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 0 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 1 2 4 3 1 2 4 3 1 2 4 4 3 12 5 4 3 3 7 5 2 4 5 4 2 8 31 26 50 36 28 15 5 4 5 3 2 4 5 3 2 3 4 2 2 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1; 1HNMR: 99 98 dp 1H J 9 74 | 71 71 d 1H J 150 | 70 70 dq 1H J 11 151 | 65 65 s 1H | 60 59 dp 1H J 13 74 | 38 38 s 3H | 23 23 d 7H J 81 | 21 21 q 3H J 10 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1-c1cccc3ccccc13)C=CC2
ir: 0 1 2 4 7 6 2 1 0 0 2 1 0 1 5 4 2 1 3 3 1 1 2 1 1 1 3 2 13 40 1 1 1 0 0 2 5 3 1 1 1 3 3 3 10 55 24 1 2 16 8 18 24 4 2 9 1 1 1 1 1 2 2 1 2 6 2 3 4 3 2 1 1 1 2 5 3 1 0 0 1 2 1 1 2 1 0 0 1 5 5 1 2 4 12 15 4 1 1 1 0 1 5 2 5 6 4 3 3 1 2 8 1 1 1 1 2 9 1 1 1 1 1 1 10 5 7 4 3 2 2 4 1 1 2 4 21 13 15 2 4 4 3 2 5 2 30 8 3 6 25 4 8 7 2 1 2 11 4 1 2 1 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 3 2 2 2 1 2 3 3 1 17 12 50 100 68 3 8 5 1 1 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H | 80 79 dt 1H J 13 79 | 79 79 m 1H | 77 76 t 1H J 74 | 76 75 ddd 2H J 11 70 84 | 75 74 m 2H | 73 73 dq 1H J 7 81 | 70 70 dq 1H J 9 73 | 64 63 dt 1H J 46 79 | 44 44 dt 2H J 8 46 | 26 26 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cncc(-n2c(=O)[nH]c3ccccc3c2=O)c1
ir: 2 3 3 2 2 4 3 2 3 4 6 9 7 10 9 7 3 15 5 11 14 70 29 34 0 5 5 4 3 6 6 7 4 6 6 39 5 3 2 3 3 6 10 100 16 5 6 3 4 6 39 56 5 7 4 3 5 4 2 1 8 6 2 2 4 4 5 8 5 4 5 2 4 6 5 4 8 4 20 26 5 6 5 5 5 6 4 5 3 3 2 2 3 3 1 12 3 2 3 4 4 2 65 10 6 3 0 2 4 2 13 4 7 22 4 5 9 3 3 3 3 4 9 8 19 7 4 3 4 4 3 3 4 6 13 4 4 3 7 7 4 2 2 4 6 13 15 6 4 2 2 3 8 2 47 11 7 17 53 8 6 7 24 35 4 3 3 4 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 3 2 2 3 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 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 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 2 2 2 2 3 3 2 2 3 3 2 4 3 12 37 29 9 3 3 3 3 3 4 50 81 4 3 3 3 3 2 3 3 3 3 7 4 4 6 27 32 9 3 5 5 4 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 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 2 2 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; 1HNMR: 89 89 t 1H J 17 | 88 88 t 1H J 17 | 84 84 t 1H J 16 | 81 81 dd 1H J 16 84 | 75 75 td 1H J 17 80 | 74 73 m 1H | 72 72 dd 1H J 14 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(SC2CN3CCC2CC3)cc1
ir: 1 3 6 4 1 2 4 3 2 2 1 1 1 1 1 3 1 1 1 3 1 1 1 1 1 1 7 9 2 2 4 2 2 1 2 6 6 6 1 100 55 49 8 0 6 9 23 20 5 2 3 4 4 4 2 0 2 4 2 0 3 5 2 1 2 1 2 6 12 2 1 1 2 3 3 2 5 4 2 2 12 7 3 4 5 3 0 0 2 4 3 2 2 1 1 2 8 9 14 4 4 3 2 2 6 13 6 9 6 8 4 4 4 6 2 3 4 2 4 2 2 1 2 2 2 2 1 5 7 4 3 1 2 2 4 4 2 0 0 2 2 16 15 5 1 1 1 1 1 1 4 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 3 2 3 4 5 3 4 3 7 11 9 7 7 43 26 6 2 2 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 5H | 30 29 m 3H | 29 28 m 3H | 28 27 dd 1H J 23 103 | 22 21 dp 1H J 39 55 | 20 19 ddt 2H J 41 68 121 | 17 16 ddt 2H J 41 70 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](CCc1ccccc1)NC(=O)OC(C)(C)C
ir: 3 7 12 7 3 5 4 3 4 5 3 2 2 4 2 2 2 1 0 1 1 0 3 2 2 1 1 3 13 3 18 16 68 12 7 11 3 8 3 6 16 18 5 9 2 2 1 1 1 2 2 1 1 1 1 5 1 1 1 1 1 7 2 11 2 2 6 1 2 9 3 4 2 2 1 3 2 3 5 2 1 1 1 0 1 1 1 1 1 4 1 1 1 1 2 2 5 7 6 3 2 1 0 1 2 2 3 8 3 3 1 4 3 11 10 5 6 10 22 18 31 46 20 13 7 7 3 2 7 8 9 4 1 7 7 12 4 5 2 1 2 3 11 55 40 57 16 8 5 97 14 10 2 2 1 1 1 1 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 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 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 1 1 1 1 1 1 1 2 1 2 1 5 2 1 2 3 2 6 7 7 9 34 15 4 37 16 3 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 8 17 9 23 100 14 3 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 4H | 71 71 m 2H | 56 55 d 1H J 81 | 43 42 dt 1H J 62 81 | 37 37 s 3H | 28 27 dtt 1H J 9 84 144 | 27 26 dtt 1H J 9 85 145 | 22 21 dtd 1H J 62 86 147 | 20 19 dtd 1H J 61 85 146 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
ir: 6 5 4 5 7 6 5 6 5 6 5 9 7 10 4 8 70 10 9 6 61 5 5 6 6 6 4 5 5 4 6 6 5 7 6 6 5 4 7 10 5 4 4 5 5 4 4 6 5 3 6 9 14 6 16 18 11 7 7 11 6 4 5 6 5 5 18 31 7 6 11 5 4 4 5 5 5 8 7 5 4 4 5 5 4 4 5 7 7 8 6 10 5 5 5 5 4 7 10 6 5 4 5 4 5 4 5 4 4 4 5 4 4 5 5 6 20 8 6 5 4 7 5 5 5 5 5 6 38 9 4 5 7 3 0 54 0 6 10 13 3 6 6 3 3 6 5 6 4 7 12 4 5 6 5 7 4 6 5 3 26 6 5 4 4 5 4 3 4 5 4 3 4 5 4 4 5 7 4 9 5 6 4 3 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 6 4 5 6 5 5 6 11 7 11 25 100 14 7 7 7 5 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 80 79 m 2H | 77 76 d 1H J 22 | 75 75 d 1H J 22 | 74 74 dq 2H J 9 82 | 38 38 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Nc1ncnc2[nH]cnc12)c1cc(=O)n(Cc2ccccc2)nc1-c1ccccc1
ir: 3 14 12 8 9 10 20 10 7 6 6 9 16 30 29 7 10 8 9 9 5 2 2 4 2 5 4 4 13 23 14 23 2 10 7 11 5 3 4 9 13 6 25 3 3 3 5 8 2 3 4 27 17 4 4 2 2 1 2 2 2 3 3 2 4 8 10 24 47 13 3 1 3 2 2 2 8 5 6 2 3 2 1 3 3 2 4 11 3 14 1 1 1 2 0 1 3 11 7 3 2 1 1 8 4 6 15 3 3 5 6 6 14 7 7 1 0 2 3 7 5 3 4 5 1 24 21 4 11 24 10 4 4 3 16 8 62 5 4 7 2 3 16 70 6 17 32 18 14 28 13 7 6 2 3 5 2 1 1 3 2 1 1 6 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 3 2 0 3 3 11 18 18 27 8 20 11 2 4 3 2 1 2 1 1 0 1 1 1 2 2 3 2 9 3 3 9 25 100 94 6 3 2 2 1 2 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 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 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 82 s 1H | 81 80 d 1H J 57 | 79 78 m 2H | 75 75 m 2H | 75 74 m 1H | 74 74 m 2H | 74 72 m 4H | 67 67 d 1H J 10 | 53 52 t 2H J 8 | 53 52 m 1H | 14 14 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.