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CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(Br)c2)cc1
ir: 10 9 5 4 4 4 2 3 3 8 4 2 6 5 4 2 2 1 1 3 4 8 4 3 13 6 11 55 60 12 30 14 6 3 5 6 6 18 7 25 64 87 24 5 3 4 7 7 13 7 19 20 6 5 4 5 25 11 5 3 2 3 4 3 2 3 3 3 1 35 1 1 2 3 3 3 5 2 1 3 3 3 1 1 2 2 4 5 14 4 13 9 5 3 2 3 10 6 4 5 4 5 7 34 40 16 1 2 2 2 5 3 5 4 1 1 1 2 1 9 5 3 3 6 13 7 14 8 3 6 15 8 3 4 7 33 100 30 22 35 12 4 11 9 38 17 84 73 9 96 27 43 30 15 8 9 11 3 3 2 9 25 11 4 3 3 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 2 2 1 2 2 1 3 6 10 10 25 43 57 78 45 17 12 15 5 6 3 4 2 2 4 3 3 4 2 2 2 2 4 8 8 22 28 56 46 29 10 8 7 7 3 3 2 2 2 1 2 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 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 84 s 1H | 81 81 t 1H J 22 | 80 79 ddd 1H J 12 22 80 | 77 77 ddd 1H J 11 21 80 | 76 75 m 2H | 75 75 t 1H J 81 | 72 72 m 2H | 53 52 d 1H J 73 | 33 32 tdd 1H J 55 64 71 | 20 19 m 1H | 18 18 dt 1H J 63 84 | 16 16 ddd 1H J 55 71 84 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(c2cncc(Cl)c2)CCN1c1ccc2ccccc2c1
ir: 19 9 0 10 20 10 9 27 23 17 43 22 37 10 4 14 17 6 3 13 15 7 4 13 16 10 6 17 20 14 20 23 32 22 27 39 22 34 31 54 30 40 53 37 13 6 11 19 14 6 12 23 22 24 22 31 15 6 15 23 20 7 15 26 14 19 29 52 17 20 12 17 9 14 15 20 27 10 29 18 14 32 35 19 17 16 21 23 7 11 17 15 6 9 17 14 7 20 17 15 12 16 20 28 14 21 17 15 9 13 25 23 24 74 37 21 4 20 24 23 19 15 22 16 14 17 26 21 9 17 17 8 5 18 74 66 27 16 14 8 8 13 13 7 8 14 17 31 12 17 28 28 17 100 33 82 40 83 18 11 23 18 11 4 9 16 10 5 12 16 10 2 10 16 9 3 10 16 8 3 10 15 8 4 11 14 7 4 11 14 7 5 12 13 7 5 12 13 6 6 13 12 6 7 13 12 5 7 14 12 5 7 14 11 4 8 15 11 4 8 15 10 3 9 15 10 3 9 16 9 3 10 15 9 3 10 15 8 4 11 14 8 5 11 14 7 5 12 13 7 5 12 13 7 6 12 13 6 6 13 13 6 8 13 12 5 7 14 12 6 8 15 11 6 11 16 12 6 9 17 13 6 14 36 21 24 49 70 42 54 31 20 13 7 11 16 9 5 12 14 8 5 11 13 7 5 11 13 7 6 12 12 7 6 13 12 6 7 12 12 6 7 13 11 5 8 13 11 5 8 14 10 5 8 14 10 4 9 14 9 4 9 15 9 4 10 14 9 4 10 14 8 5 10 13 8 5 11 13 8 6 11 13 7 6 11 12 7 6 12 12 7 7 12 11 6 7 12 11 6 8 13 11 6 8 13 10 5 8 13 10 5 9 14 10 5 9 14 9 4; 1HNMR: 85 85 t 1H J 17 | 84 83 t 1H J 17 | 78 78 dt 2H J 18 78 | 78 77 d 1H J 80 | 77 77 t 1H J 22 | 75 75 t 1H J 17 | 75 73 dddd 2H J 14 68 80 243 | 73 73 dd 1H J 22 78 | 41 41 dd 2H J 34 49 | 41 40 dd 2H J 34 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(N)CCc1ccccc1
ir: 1 1 2 1 0 2 5 7 2 2 2 3 4 5 4 1 0 1 2 1 0 2 2 1 0 1 2 0 1 13 16 18 4 3 2 1 2 3 6 100 44 36 2 3 2 1 1 1 1 1 2 2 2 11 6 3 7 4 6 0 5 16 9 24 19 9 6 8 22 69 47 16 7 6 3 4 4 60 32 73 1 7 41 12 6 2 1 1 2 5 4 1 2 3 4 8 8 13 4 3 2 2 1 2 2 3 5 10 3 2 2 2 9 4 5 2 4 3 3 4 4 8 7 18 23 11 10 11 6 6 4 9 29 32 43 20 20 5 1 3 2 3 7 15 24 23 9 1 1 1 1 2 3 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 2 1 1 1 1 1 1 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 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 4 3 2 2 3 3 1 2 2 2 2 6 5 13 30 21 11 8 2 1 2 2 1 2 2 3 7 7 9 19 15 17 8 4 4 12 70 58 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 3H | 71 71 ddt 2H J 8 16 76 | 52 51 d 2H J 66 | 42 40 qd 2H J 38 64 | 38 37 tt 1H J 61 67 | 28 27 dtt 1H J 9 82 141 | 27 26 dtt 1H J 9 84 143 | 22 21 dtd 1H J 60 83 151 | 20 19 dtd 1H J 59 82 148 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12
ir: 3 2 2 2 5 3 3 3 4 3 3 6 3 3 6 3 3 2 2 2 2 2 3 5 3 6 3 3 1 3 8 6 3 6 7 8 6 6 3 4 2 2 4 6 3 3 3 1 2 4 4 5 2 3 16 27 25 22 2 4 1 1 2 1 1 1 3 2 3 1 1 4 3 2 1 1 1 1 1 1 2 6 2 1 0 0 1 1 1 1 1 1 1 3 1 1 1 1 1 0 0 1 1 1 4 2 0 1 1 1 0 2 1 1 1 3 1 6 5 4 4 2 2 2 3 4 4 7 2 1 2 1 1 1 1 1 25 5 4 4 2 6 11 73 100 51 19 8 13 9 8 3 20 32 5 3 1 1 1 0 0 55 2 1 3 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 1 1 1 1 1 1 1 1 1 2 4 3 12 9 11 5 2 1 1 1 1 1 0 1 1 1 1 2 1 2 2 7 13 1 2 2 2 3 1 1 1 1 2 12 46 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 77 | 80 79 d 1H J 79 | 78 77 m 2H | 72 71 m 2H | 63 63 s 2H | 46 45 t 2H J 54 | 38 37 t 2H J 53 | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nn2ccnc2s1
ir: 10 5 3 8 21 22 7 12 11 4 1 6 8 4 4 12 17 6 3 6 7 3 2 6 7 3 3 9 19 18 6 8 8 20 37 47 14 1 3 9 7 2 4 17 18 2 4 11 6 0 4 11 6 0 5 11 9 17 22 46 23 3 8 13 7 2 12 35 19 0 7 13 10 31 46 19 15 4 6 6 5 6 17 11 6 5 12 12 11 23 9 6 3 12 61 53 21 12 7 7 3 7 7 9 46 34 22 9 2 15 30 18 24 18 42 27 16 21 32 21 5 9 13 7 2 5 8 4 2 6 7 5 9 22 18 13 3 7 8 3 5 7 7 3 3 7 6 2 3 7 6 2 3 7 6 2 4 7 6 2 4 8 5 1 4 8 5 1 4 8 5 1 5 8 4 1 5 8 4 1 6 7 4 2 5 7 4 2 6 7 3 2 6 7 3 3 6 6 3 3 6 6 3 3 7 6 2 3 7 6 2 4 7 6 2 4 7 5 2 4 7 5 2 4 8 5 1 4 8 4 1 5 8 4 2 5 8 4 2 5 7 4 2 6 7 4 2 6 7 3 3 6 7 3 3 6 6 3 3 7 6 4 5 8 8 4 5 9 7 2 6 10 11 5 7 13 8 4 8 15 16 26 20 35 100 59 12 21 23 83 47 25 6 4 6 8 5 3 5 7 5 3 6 7 4 3 6 7 3 3 6 6 4 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 2 4 6 5 2 4 7 5 2 4 7 5 2 4 7 4 2 5 7 4 2 5 7 4 2 5 6 4 2 5 6 4 3 5 6 4 3 5 6 3 3 6 6 3 3 6 6 3 3 6 5 3 4 6 5 3 4 6 5 3 4 6 5 2 4 7 5 2 4 7 4 2; 1HNMR: 77 77 d 1H J 38 | 72 71 d 1H J 38 | 27 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1CCc2ccccc2N1CCc1ccccc1)Nc1cccc2[nH]ncc12
ir: 2 2 2 2 2 5 4 6 8 3 6 3 3 11 9 3 13 7 4 2 3 3 3 4 6 23 5 5 5 6 26 16 15 2 3 3 8 10 8 13 39 65 88 26 15 13 4 12 87 26 5 1 3 4 2 0 1 3 2 0 1 2 1 1 2 2 1 1 4 7 2 1 3 5 8 2 5 11 9 2 3 5 6 1 2 3 8 15 4 18 2 1 3 3 10 2 3 14 7 4 2 8 5 3 4 2 1 2 4 16 23 10 19 6 2 4 9 5 2 2 4 5 2 4 4 3 2 2 5 5 3 25 5 4 3 6 3 1 14 4 5 10 27 7 27 25 8 4 6 50 100 40 10 1 2 5 2 0 1 7 29 35 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 2 2 2 2 2 7 18 13 27 78 32 17 5 3 2 2 2 2 3 2 2 1 2 1 1 2 2 2 4 4 3 7 34 49 15 25 21 13 8 6 1 2 2 2 1 1 2 2 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H | 82 82 s 1H | 77 76 dd 1H J 14 78 | 74 74 dd 1H J 13 88 | 74 73 m 4H | 73 72 m 1H | 72 71 m 2H | 71 70 m 2H | 67 66 td 1H J 15 79 | 66 65 dd 1H J 15 74 | 38 36 m 2H | 36 35 m 2H | 33 32 dt 1H J 48 128 | 30 27 m 4H | 21 20 ddt 1H J 57 82 132 | 18 17 ddt 1H J 57 82 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2ccccc2)c(F)c2oc(CN(C)C(=O)OCc3ccccc3)nc2c1C#N
ir: 12 7 26 8 11 26 1 16 23 55 17 14 9 5 4 6 3 3 5 5 2 6 4 2 5 4 5 5 6 6 7 8 6 13 11 6 4 2 5 68 78 9 6 3 6 6 4 18 5 2 3 4 3 4 3 3 3 2 3 3 2 2 2 8 2 2 5 6 8 13 4 2 2 6 2 2 3 5 13 4 6 14 7 2 2 2 2 3 12 12 2 3 2 3 1 1 5 7 10 6 4 2 3 5 2 2 1 1 2 2 1 2 2 2 1 2 5 6 6 13 12 15 60 30 8 9 9 16 12 8 11 20 20 16 35 34 10 10 7 12 7 9 10 16 11 10 11 5 3 9 100 26 6 2 2 4 2 1 1 2 5 0 1 2 2 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 5 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 4 4 3 5 3 3 2 5 7 15 25 27 55 61 15 33 7 4 5 3 2 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 m 2H | 75 74 m 2H | 74 73 m 7H | 51 51 s 2H | 47 46 s 2H | 31 30 s 3H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)n1ccc2cc(/C(C)=C/C(=O)Nc3ccccc3OCCCC(=O)O)ccc21
ir: 2 3 2 6 14 4 3 2 4 1 13 7 9 8 8 2 5 4 9 21 20 100 61 8 6 13 4 2 3 11 9 4 17 15 8 3 2 1 1 2 3 7 10 15 39 31 22 7 4 1 1 3 2 12 12 17 2 2 2 2 4 0 1 2 1 1 5 7 5 1 6 7 4 5 6 7 16 28 100 63 23 15 1 2 8 6 1 3 2 3 0 1 3 4 4 2 5 3 2 2 2 3 0 9 23 14 8 4 2 2 4 5 4 2 3 5 2 3 10 9 11 6 6 4 4 7 12 6 1 1 1 1 2 5 4 3 25 7 21 16 13 12 21 27 18 6 20 15 15 35 24 13 46 2 12 8 6 2 2 3 13 20 3 2 5 11 1 1 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 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 2 3 1 1 2 4 2 2 1 2 2 3 3 12 12 6 89 25 36 24 11 12 21 3 3 1 7 18 17 3 2 3 1 0 1 1 1 1 1 2 2 14 31 53 13 4 4 4 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 79 78 m 1H | 78 78 t 1H J 18 | 76 76 d 1H J 82 | 75 74 dd 1H J 15 80 | 73 73 m 1H | 71 70 m 2H | 70 69 m 1H | 66 65 dd 1H J 22 52 | 61 61 q 1H J 15 | 42 41 m 3H | 26 25 t 2H J 93 | 25 24 d 3H J 13 | 22 21 tt 2H J 61 93 | 19 18 dqd 1H J 36 73 119 | 17 16 dqd 1H J 36 73 119 | 12 11 d 3H J 51 | 9 8 td 3H J 15 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc2c(N)nc(OCCC3CC3)nc2n1CCCC1CCCCO1
ir: 2 5 2 5 3 2 2 4 7 4 3 4 2 3 3 3 3 4 5 4 3 6 7 9 4 4 5 2 3 2 5 8 3 4 7 10 7 4 8 15 16 12 14 5 2 6 4 5 6 15 6 3 2 2 3 2 2 3 4 4 7 3 3 3 3 8 4 8 8 2 2 5 6 3 2 2 1 5 5 3 2 3 2 4 4 8 7 3 4 2 1 2 3 4 10 10 6 5 4 2 3 4 3 5 7 5 23 17 11 5 19 23 10 12 13 12 7 10 13 11 15 16 8 11 7 7 14 6 5 4 3 2 1 1 2 14 5 3 2 1 2 2 1 1 3 9 17 9 6 3 4 5 6 7 2 2 1 1 1 1 1 1 2 4 12 19 3 1 1 1 1 1 15 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 1 0 1 1 0 0 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 1 2 2 3 3 3 6 8 17 14 10 7 4 7 21 23 28 100 16 6 8 14 12 9 8 7 7 4 2 2 1 4 3 3 10 23 26 8 3 1 2 2 12 48 9 3 3 0 0 2 1 0 0 2 1 1 1 2 2 1 1 2 2 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 70 70 s 2H | 43 42 s 1H | 43 42 m 2H | 42 41 dt 1H J 78 176 | 40 39 s 2H | 38 37 m 2H | 36 35 ddd 1H J 39 58 111 | 20 14 m 13H | 13 12 hept 1H J 58 | 6 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(O)(Cc2ccc3c(c2)CCN(C2CCC2)CC3)CC1
ir: 6 14 13 18 16 13 20 16 24 20 32 31 13 20 15 8 8 6 10 6 7 6 3 2 7 8 16 7 4 6 5 3 4 4 4 3 4 4 3 4 2 2 10 4 4 16 4 5 5 5 9 11 5 31 30 38 13 3 8 16 22 5 8 8 12 20 8 7 11 19 16 9 16 9 9 24 34 15 14 9 10 7 26 11 11 25 26 8 10 19 91 24 26 53 22 26 31 16 5 23 31 16 38 13 36 38 15 8 3 6 6 5 0 10 20 11 17 25 13 30 10 21 37 22 33 8 10 18 16 14 19 23 18 22 22 17 14 8 7 4 10 3 4 22 5 1 1 4 5 3 36 100 7 6 16 0 1 3 2 0 1 3 10 0 1 2 2 1 1 3 1 0 1 2 1 1 1 3 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 3 3 3 2 5 10 6 5 15 13 19 23 21 13 7 4 9 15 65 39 60 45 31 22 9 9 9 9 36 49 12 12 5 4 3 4 3 2 3 3 2 2 2 2 2 3 3 2 2 3 2 2 3 4 2 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 69 68 ddt 1H J 9 18 74 | 67 66 dp 1H J 9 18 | 64 64 dt 1H J 9 74 | 38 37 ddd 2H J 35 62 126 | 34 33 ddd 2H J 37 64 126 | 30 29 dddd 1H J 13 32 41 66 | 29 29 s 1H | 29 28 m 11H | 22 21 ddd 2H J 35 62 134 | 19 18 ddd 2H J 35 62 132 | 18 17 m 4H | 16 15 m 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc(C)c1CNc1cc(C(=O)NC)cn2c(C)c(C)nc12
ir: 6 4 4 5 2 2 3 3 2 7 22 30 14 7 23 6 40 24 11 11 12 5 6 3 1 2 2 7 18 3 2 0 1 5 2 1 1 2 2 8 2 3 5 12 68 11 27 15 3 2 2 4 2 1 1 1 1 1 1 1 1 1 1 2 1 8 5 2 2 3 3 3 3 3 1 2 5 5 1 1 1 2 1 2 1 2 2 1 2 4 2 1 4 1 1 1 1 1 1 2 2 1 1 6 2 1 1 2 4 7 4 2 2 2 6 5 4 5 7 11 9 4 8 4 6 2 1 3 4 5 1 4 16 38 6 3 5 3 1 5 19 9 3 25 11 64 100 43 18 12 5 10 18 5 3 1 2 4 2 3 25 3 2 0 1 6 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 2 1 2 2 7 6 5 7 17 18 8 13 7 3 3 1 1 2 2 2 1 1 2 3 2 5 3 9 6 4 11 32 44 44 59 17 39 12 2 3 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 d 1H J 13 | 80 79 d 1H J 14 | 71 70 m 2H | 70 70 m 1H | 70 69 dq 1H J 9 78 | 69 68 q 1H J 48 | 48 47 d 2H J 60 | 29 28 d 3H J 46 | 27 26 qd 2H J 8 74 | 25 25 s 2H | 23 23 s 2H | 23 22 d 3H J 7 | 12 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
ir: 5 5 6 7 8 5 2 4 6 4 4 4 5 3 4 6 3 4 4 2 2 2 2 6 1 2 2 1 1 3 3 0 3 43 7 4 4 1 2 4 7 11 4 3 2 3 16 6 4 7 5 2 10 8 5 3 25 14 3 3 2 2 2 3 6 24 81 16 6 2 5 3 5 28 14 7 2 1 2 3 2 1 3 4 3 5 96 6 2 4 17 40 15 2 7 5 3 12 41 19 34 56 72 10 3 5 3 3 7 9 100 8 8 14 22 12 14 4 21 11 15 35 14 9 3 5 6 11 50 27 20 5 3 12 11 12 2 2 2 3 3 2 3 10 30 9 4 3 2 2 2 1 2 18 11 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 2 2 2 2 2 2 2 5 5 3 3 2 2 2 2 4 13 16 12 12 30 18 4 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 3 6 85 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 m 3H | 75 75 d 1H J 7 | 60 60 d 1H J 97 | 48 48 s 2H | 47 46 dtd 1H J 7 57 97 | 43 42 q 2H J 66 | 29 27 m 2H | 23 22 ddt 1H J 58 82 125 | 21 18 m 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.
CN1CCN(CCCc2cc(Cl)c3c(c2)CN(Cc2ccc(Oc4ccccc4)cc2)C3=O)CC1
ir: 1 2 2 1 3 4 6 2 5 9 4 4 1 3 3 1 2 3 4 2 3 3 4 3 2 2 18 8 3 12 4 4 2 4 4 2 2 5 6 12 10 25 12 13 7 6 3 1 5 8 5 2 5 8 10 16 34 47 7 5 2 8 6 6 11 33 28 17 27 12 4 1 2 2 3 3 2 6 10 20 30 15 5 4 24 22 16 4 7 4 3 2 4 12 2 5 1 26 8 13 1 11 2 5 4 2 0 2 3 2 8 26 8 3 1 2 1 2 10 7 5 3 1 4 9 4 6 2 3 3 6 12 4 3 5 10 5 11 4 2 6 9 8 12 5 2 36 4 33 9 3 9 22 5 2 10 48 2 1 6 11 2 1 2 1 0 1 1 1 0 1 1 1 0 2 2 1 1 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 6 3 3 2 4 1 2 4 5 13 16 14 48 97 100 46 12 2 4 5 4 1 2 3 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 2H | 73 72 dt 2H J 9 87 | 71 71 tt 1H J 14 75 | 71 70 dt 1H J 9 20 | 70 70 m 2H | 70 69 dp 1H J 9 17 | 69 68 m 2H | 47 47 t 2H J 9 | 45 44 d 2H J 7 | 27 27 tt 2H J 9 84 | 26 25 s 7H | 26 25 t 2H J 63 | 24 23 s 3H | 19 18 tt 2H J 63 85
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1CCN(CCCN2C(=O)CCc3cc(C)c(F)cc32)CC1
ir: 3 10 4 6 15 7 11 7 4 4 7 15 1 2 4 10 12 5 2 3 2 2 3 15 4 9 19 10 2 2 2 1 2 4 12 10 27 8 8 57 10 6 2 2 3 10 2 1 7 16 4 2 3 4 2 9 3 5 3 7 39 12 3 16 12 7 6 22 50 58 63 33 6 8 4 5 4 8 4 10 62 11 15 29 5 4 16 89 13 13 10 17 2 10 5 4 7 16 76 7 8 34 11 13 18 15 12 11 17 9 15 18 14 10 16 10 4 10 12 23 50 6 36 39 5 33 24 29 21 12 7 2 10 6 21 6 33 6 5 3 4 2 3 2 2 1 6 76 9 27 100 26 9 23 38 5 1 2 1 1 1 2 3 25 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 2 1 1 1 1 2 2 3 5 4 5 8 20 17 10 13 4 8 12 10 7 38 40 34 24 74 32 18 6 1 2 3 1 0 2 2 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 70 69 m 1H | 69 68 d 1H J 121 | 40 40 t 2H J 66 | 29 28 m 2H | 28 27 ddd 2H J 55 82 119 | 27 26 ddd 2H J 56 83 119 | 26 26 m 4H | 23 22 d 3H J 36 | 19 18 p 2H J 65 | 18 17 ddt 2H J 56 82 123 | 16 15 ddt 2H J 56 82 123 | 15 14 m 1H | 14 12 m 6H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1
ir: 1 6 15 8 2 4 6 5 2 2 8 3 2 4 6 6 7 9 7 4 3 4 2 1 2 3 11 2 2 2 4 3 1 2 1 4 1 1 2 1 4 5 35 13 5 3 5 1 3 2 1 0 1 1 0 0 0 1 1 0 1 0 1 3 4 19 2 1 1 2 10 23 23 3 3 0 2 2 0 1 1 1 3 0 1 0 0 0 3 1 1 2 4 2 1 0 1 1 1 3 4 2 1 1 2 3 9 4 10 5 8 15 9 11 3 1 3 2 2 3 2 2 3 3 1 3 1 2 3 2 6 6 0 1 1 1 3 2 1 3 4 1 1 2 13 14 11 54 22 9 3 1 2 2 5 29 100 21 58 7 5 2 4 2 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 2 2 0 2 1 1 1 2 7 8 5 11 15 13 18 7 2 1 2 2 1 2 1 1 1 1 1 1 1 1 4 6 6 3 20 26 88 46 20 6 7 3 2 1 3 2 1 2 1 1 0 0 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 m 2H | 76 76 s 1H | 76 75 m 2H | 71 70 s 1H | 57 56 s 1H | 20 19 dt 1H J 64 143 | 17 16 dt 1H J 63 141 | 16 15 s 3H | 15 13 dq 1H J 66 145 | 13 12 ddq 1H J 65 78 131 | 10 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(-c2noc(-c3cnc(OC(C)C)c(C#N)c3)n2)ccc2c1CCN(CC(=O)O)C2
ir: 4 5 9 23 7 8 7 12 12 17 9 8 9 7 13 13 12 12 10 13 17 33 44 100 37 10 21 9 6 34 4 12 6 8 6 12 7 0 3 9 21 17 63 10 7 5 5 6 6 6 5 9 4 15 22 18 11 3 9 5 5 4 4 3 4 7 10 9 5 4 9 6 4 3 5 13 6 30 39 38 11 24 11 7 6 42 23 35 42 14 8 5 4 4 6 6 8 8 17 14 12 8 8 8 7 5 5 6 3 3 4 5 3 8 7 6 5 8 14 12 7 5 6 5 4 17 8 15 16 79 6 14 7 6 20 16 11 10 8 5 5 10 10 10 23 57 8 9 5 6 3 4 8 28 6 4 3 3 3 6 6 85 5 2 3 3 3 2 2 3 3 2 3 3 3 3 3 2 2 3 2 1 30 0 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 6 5 4 3 4 4 4 4 4 4 6 6 7 10 30 10 14 53 24 3 5 5 7 7 5 10 70 66 6 5 5 4 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 3 3 2 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 3 3 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; 1HNMR: 94 94 s 1H | 89 89 d 1H J 16 | 86 85 d 1H J 16 | 76 75 d 1H J 93 | 73 72 dt 1H J 8 94 | 51 50 dq 1H J 60 121 | 38 38 d 2H J 9 | 35 34 s 2H | 31 30 t 2H J 48 | 29 28 td 2H J 18 47 | 24 24 s 3H | 16 15 d 6H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(C2CC(O)(c3ccc(F)cc3)c3ccc(F)cc32)CC1
ir: 4 2 2 1 1 0 1 1 1 1 3 2 3 3 1 1 1 1 2 1 1 3 1 0 0 1 1 0 0 1 0 0 0 1 8 1 1 1 1 3 1 1 0 0 1 1 1 0 1 1 1 2 4 16 38 30 4 1 1 1 1 1 1 1 2 1 1 2 3 10 7 2 2 2 4 3 3 2 3 4 27 10 6 6 5 3 4 22 1 11 13 3 1 3 4 1 5 4 3 3 2 1 2 1 9 4 4 4 2 1 3 3 6 5 4 4 7 1 3 2 1 2 2 4 2 2 4 8 7 5 2 3 5 1 1 1 0 1 1 1 1 2 1 1 0 1 1 9 6 12 3 2 8 2 1 0 1 1 0 0 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 3 1 2 3 5 2 3 5 5 14 26 18 3 2 1 2 2 4 100 5 1 0 1 1 0 1 1 0 0 1 1 1 1 1 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 73 72 m 1H | 71 70 m 2H | 70 70 m 2H | 38 38 s 1H | 29 28 dtd 1H J 7 61 86 | 28 26 ddd 4H J 16 66 81 | 25 24 dd 1H J 60 141 | 23 22 m 3H | 20 19 dp 1H J 50 84 | 19 18 m 2H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)OC(C)(C)C)C(S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
ir: 21 11 6 5 5 3 3 1 0 6 3 5 3 2 2 1 7 6 1 1 1 6 1 3 4 5 34 17 31 100 8 9 4 43 6 3 1 10 6 2 2 2 3 4 5 8 6 10 4 3 2 1 1 2 3 4 5 1 4 2 1 11 4 4 5 3 1 29 9 3 1 1 1 1 0 3 1 5 1 1 1 2 1 2 1 1 0 2 1 4 2 31 12 4 3 4 8 6 27 49 21 3 4 2 0 2 2 3 2 56 60 14 4 9 9 2 2 6 34 13 3 3 3 5 8 6 13 8 21 28 44 25 7 1 2 3 2 2 1 1 2 6 5 15 49 81 10 6 6 78 7 3 3 0 1 0 1 1 1 2 1 12 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 1 0 1 0 1 0 0 0 0 0 0 0 1 2 4 1 1 1 0 0 0 1 0 0 0 0 0 1 1 1 1 3 3 2 1 2 1 1 1 2 3 2 6 7 10 20 35 11 32 24 25 19 3 1 1 2 0 1 1 4 2 4 1 2 1 0 0 1 2 1 3 5 7 16 34 11 8 9 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 td 1H J 9 24 | 75 75 dd 2H J 6 22 | 43 43 m 1H | 43 42 m 1H | 41 41 d 1H J 71 | 25 25 d 1H J 63 | 14 14 s 8H | 14 13 dd 3H J 15 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)c1ccc(C(=O)CBr)o1
ir: 1 7 8 8 14 6 6 4 10 67 11 4 6 6 11 4 1 4 5 3 2 6 10 2 3 8 5 3 10 26 7 2 1 4 4 0 1 4 7 0 13 67 30 4 6 13 8 14 4 6 4 2 2 4 3 0 3 4 5 2 27 14 6 2 3 4 2 2 4 4 5 1 4 5 3 2 4 8 23 3 5 3 2 3 4 4 4 4 7 7 4 6 20 13 2 4 4 5 3 4 7 26 4 8 6 3 0 3 4 3 2 5 18 13 7 10 9 13 18 53 40 23 26 9 16 3 4 5 21 12 5 10 7 8 19 17 4 1 1 3 3 2 2 4 3 37 19 27 100 23 4 6 12 16 10 8 4 1 6 6 4 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 1 3 3 1 0 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 1 1 3 2 0 2 4 2 0 2 3 2 0 2 4 2 0 2 3 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 4 3 1 2 6 5 12 5 5 3 1 2 7 6 11 21 5 8 14 7 30 45 29 16 5 5 2 3 3 2 1 3 3 2 1 2 3 1 1 3 3 1 1 3 2 1 1 2 3 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 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 74 74 d 1H J 57 | 73 73 d 1H J 57 | 44 44 s 2H | 32 32 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-n2c(-c3ccccc3)nc3cc(O)c(OCCCCCC(=O)OC(C)C)cc32)cc1
ir: 4 10 12 3 13 20 6 67 72 46 30 16 16 33 6 9 4 8 10 13 6 11 14 5 6 6 6 12 7 15 6 13 11 8 5 2 13 18 10 36 37 13 59 10 11 9 7 2 3 6 7 12 3 8 3 21 10 22 7 3 4 11 13 8 4 12 8 16 93 48 9 5 10 4 6 9 12 29 39 12 13 33 31 8 11 7 2 34 13 7 6 35 6 6 2 5 12 13 30 7 10 32 3 5 6 3 3 23 26 12 15 8 6 5 7 9 9 7 8 14 12 15 4 8 10 17 15 14 6 10 13 47 4 7 13 13 8 3 4 10 43 7 19 46 74 17 13 5 35 10 7 6 16 15 13 7 4 2 2 3 3 3 3 5 3 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 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 2 1 3 4 2 1 3 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 2 3 2 2 2 5 5 3 3 7 7 7 5 5 5 6 6 9 12 14 25 31 69 99 56 16 11 8 4 10 7 100 48 11 3 2 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 4 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 80 79 m 2H | 79 79 s 1H | 75 75 m 3H | 75 74 s 1H | 74 74 s 1H | 73 73 m 2H | 72 72 ddt 2H J 10 17 80 | 41 40 td 3H J 27 60 | 24 24 d 3H J 10 | 24 23 t 2H J 87 | 18 18 tt 2H J 61 73 | 17 15 m 2H | 15 14 pd 2H J 11 73 | 12 12 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCOCCOCCN
ir: 3 1 1 1 3 5 4 2 2 2 2 2 1 4 5 6 10 2 7 3 0 1 1 2 3 1 1 1 1 0 1 1 1 1 1 1 1 1 0 1 1 1 3 3 3 2 3 2 2 3 2 5 5 8 6 7 3 3 11 26 45 95 30 22 27 32 18 39 11 47 84 92 78 79 40 34 14 17 16 3 14 18 9 7 3 5 2 1 0 2 2 1 6 4 11 11 3 7 2 1 0 1 1 1 0 1 2 2 1 1 4 6 3 5 3 4 1 5 3 2 6 16 50 30 100 13 8 11 5 5 14 8 43 67 27 12 6 9 3 2 3 1 0 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 0 0 0 0 0 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 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 1 1 0 1 0 1 0 0 1 1 1 1 1 1 3 4 4 4 3 2 1 1 1 2 4 22 7 1 3 1 2 2 1 2 1 2 2 2 1 5 9 22 9 25 19 70 29 11 15 13 64 47 10 6 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 37 36 m 5H | 37 36 s 5H | 36 35 m 2H | 35 34 t 2H J 40 | 34 34 s 2H | 29 28 tt 2H J 39 70 | 17 16 t 2H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2nc([S@](=O)Cc3nccc(N4CCOCC4)c3Cl)[nH]c2n1
ir: 5 3 2 4 5 5 2 2 9 26 12 5 6 5 5 12 9 4 11 5 8 2 2 2 1 4 1 1 1 1 1 2 5 16 12 3 11 7 7 5 14 100 6 7 5 1 10 12 7 3 22 11 7 24 8 1 1 2 2 1 1 2 3 2 2 5 3 4 1 1 2 3 19 74 8 3 17 15 10 3 2 0 1 2 1 2 9 18 5 2 4 39 4 5 2 5 3 18 3 3 2 2 5 8 6 6 3 1 0 41 3 2 4 2 2 3 9 16 4 3 2 1 3 3 3 3 5 12 4 4 2 1 2 1 1 1 3 23 3 6 10 3 2 1 0 4 9 3 3 13 10 82 50 13 3 3 3 3 27 20 38 2 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 3 2 3 2 2 4 6 10 19 20 42 27 3 2 5 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 4 4 4 7 59 32 3 1 1 1 1 1 2 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 84 84 d 1H J 53 | 79 79 d 1H J 79 | 69 69 d 1H J 79 | 66 66 d 1H J 51 | 46 46 s 2H | 40 39 s 3H | 38 37 m 5H | 34 33 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC(CC(C)C)c1ccc(O)cc1OC
ir: 9 6 6 7 11 8 5 6 4 9 5 6 5 6 7 6 9 7 7 7 7 6 8 11 5 5 7 6 4 3 3 4 4 5 4 4 4 6 9 5 7 5 4 5 4 4 4 4 4 3 3 4 4 10 38 7 5 3 8 7 5 4 5 13 16 20 34 29 19 4 5 6 4 8 8 9 11 14 9 100 91 18 24 17 9 6 7 6 6 8 10 13 11 6 4 5 8 10 9 8 7 4 5 5 7 7 6 6 9 20 12 12 6 4 4 4 4 5 11 6 9 11 7 7 6 10 7 8 7 7 9 7 5 4 5 5 6 5 5 5 6 4 9 34 46 10 6 5 5 0 68 6 5 8 18 4 4 4 3 2 3 4 25 8 4 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 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 5 4 4 5 5 4 5 4 4 9 7 8 5 7 10 7 9 8 43 10 20 31 24 7 5 3 7 4 6 73 26 4 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 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 71 70 d 1H J 6 | 70 70 s 2H | 65 65 dd 1H J 22 90 | 64 64 d 1H J 22 | 38 38 s 2H | 36 35 s 2H | 34 33 m 1H | 29 28 dd 1H J 78 164 | 26 26 dd 1H J 78 164 | 19 18 m 1H | 17 16 m 2H | 10 9 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1ccc(-c2ncc(C(=O)O)c(O)n2)cc1
ir: 1 2 1 2 2 2 4 3 2 1 3 3 4 2 3 4 8 4 5 4 11 9 17 15 25 14 9 25 66 34 25 27 30 22 9 4 7 10 7 10 20 11 18 8 7 8 4 10 10 14 9 57 55 10 9 3 5 4 3 1 3 3 2 2 2 2 1 1 2 2 3 12 5 5 2 6 9 15 12 7 47 30 8 55 39 5 2 2 5 2 1 2 2 3 8 2 1 2 3 7 11 4 38 24 21 13 3 1 2 1 1 2 3 7 12 2 2 2 1 2 2 2 7 4 4 9 13 4 2 3 40 5 4 2 1 1 1 1 2 4 19 3 3 23 43 3 6 26 17 8 16 12 47 61 46 5 4 3 41 7 2 3 2 9 10 5 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 14 22 8 4 16 31 12 1 2 3 2 7 100 12 2 4 1 1 1 1 1 4 3 15 24 36 61 18 7 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 80 80 m 2H | 79 79 s 1H | 77 76 m 2H | 62 62 t 1H J 38 | 33 32 qd 2H J 37 61 | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccc(Cl)cc4c23)cc1)c1ccccc1
ir: 1 2 2 4 2 2 13 8 4 2 3 3 44 12 4 2 2 1 5 2 2 4 7 8 5 6 3 7 9 5 3 11 11 26 54 47 29 99 9 3 4 1 3 3 2 1 4 2 8 7 3 8 44 6 9 5 6 77 4 3 1 1 2 1 1 3 4 4 4 17 5 1 4 8 5 3 3 2 2 2 1 2 7 1 1 1 1 3 3 3 1 2 6 2 1 3 2 2 1 2 2 2 1 13 25 5 3 1 1 1 3 18 10 12 17 2 2 2 3 1 0 2 2 3 1 5 9 4 1 1 1 2 18 6 5 2 2 12 2 5 8 57 20 9 30 8 5 8 7 15 23 16 12 5 11 6 3 3 3 36 3 11 92 3 19 1 1 8 5 3 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 1 1 1 1 0 1 1 0 1 0 1 2 1 1 1 3 3 27 61 24 22 7 5 4 3 1 1 2 3 1 2 2 2 4 3 1 1 3 5 10 21 33 67 100 55 8 3 2 3 1 1 2 1 1 2 1 1 1 1 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 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; 1HNMR: 91 91 s 1H | 83 83 d 1H J 44 | 82 82 d 1H J 83 | 80 79 m 2H | 79 79 d 1H J 25 | 78 77 m 2H | 76 76 s 1H | 75 75 m 2H | 75 74 m 2H | 70 70 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(Nc2cc(Br)ccn2)nc1)N1CCOCC1
ir: 1 1 1 5 3 3 2 1 1 1 1 1 1 1 0 3 8 3 2 3 4 1 3 7 6 5 6 11 0 4 5 6 3 9 5 15 6 14 23 16 6 4 3 3 6 3 2 1 1 1 1 1 4 22 13 9 2 1 1 1 1 1 1 0 1 1 16 4 2 1 3 2 1 5 1 1 1 1 1 0 1 1 2 3 1 1 1 9 2 2 0 12 2 3 2 1 0 1 1 1 8 1 1 1 0 1 3 1 1 0 1 1 2 2 2 1 1 1 2 6 3 3 4 6 2 1 1 1 1 1 1 1 1 1 4 2 1 3 4 14 3 0 1 3 5 9 52 51 2 2 6 7 10 5 5 2 1 3 2 1 13 0 100 25 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 0 0 1 2 1 3 3 3 21 15 6 4 3 1 1 1 0 3 1 1 0 0 1 0 0 1 1 1 1 1 3 3 6 29 36 10 6 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 89 s 1H | 87 86 d 1H J 19 | 83 83 d 1H J 40 | 80 79 dd 1H J 18 82 | 72 72 d 1H J 22 | 71 70 m 2H | 37 36 m 4H | 36 36 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H](C)[C@H](N)C(=O)N(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(C)C(=O)c1ccccc1
ir: 3 3 4 3 1 2 5 5 0 4 5 3 2 3 5 3 1 4 5 3 1 3 4 3 3 3 2 2 6 5 13 7 6 8 17 19 23 14 24 6 12 22 8 4 4 4 11 12 10 9 4 1 2 3 2 1 7 18 28 9 3 7 5 13 6 18 57 31 37 21 15 9 13 33 10 4 7 12 7 11 10 14 5 3 7 16 7 17 7 10 2 4 13 13 5 5 4 5 4 3 5 5 5 8 12 7 9 19 11 11 6 7 6 4 10 7 7 8 7 7 5 3 7 7 6 23 6 25 17 23 35 29 27 17 20 17 10 7 8 7 10 12 57 32 20 28 12 4 7 10 36 4 7 2 2 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 2 4 4 5 4 2 3 6 3 6 17 14 28 100 30 18 6 7 4 4 2 2 4 4 4 7 13 11 11 11 10 9 10 10 5 35 19 7 2 3 2 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 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 79 dq 2H J 17 83 | 76 75 m 1H | 75 74 m 2H | 73 72 m 5H | 47 46 m 2H | 43 42 q 1H J 74 | 38 38 ddt 1H J 17 39 57 | 38 37 m 2H | 37 36 tdq 1H J 15 60 73 | 31 31 m 1H | 29 29 m 1H | 22 21 dddd 1H J 39 51 71 122 | 20 18 m 3H | 18 17 ddtdd 1H J 17 34 53 71 125 | 15 14 dqd 1H J 57 78 135 | 13 13 d 3H J 75 | 12 11 m 1H | 10 9 dd 3H J 15 73 | 9 8 td 3H J 15 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNS(=O)(=O)c1ccc(C(=O)NN)cc1
ir: 4 4 4 4 4 3 3 4 4 3 2 3 6 4 4 8 8 3 2 3 3 2 2 3 3 3 3 3 3 3 7 10 8 3 4 5 5 3 4 17 10 13 7 7 5 4 4 4 4 4 5 7 6 14 15 10 6 5 4 6 7 3 13 16 16 26 12 7 6 4 6 8 4 3 3 3 3 16 8 4 3 3 4 13 25 7 7 5 12 20 7 3 3 4 3 3 3 3 3 8 6 4 4 4 6 10 18 38 23 16 14 4 3 4 5 3 2 3 4 6 4 4 4 5 2 5 4 3 6 6 4 2 0 20 42 29 8 2 2 3 3 4 6 8 9 4 4 11 4 3 8 6 3 3 3 3 4 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 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 3 3 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 3 3 3 3 3 5 9 10 9 4 3 3 3 3 3 3 3 3 3 4 4 6 42 18 8 7 10 6 100 94 10 17 14 10 8 5 3 4 3 3 2 2 3 3 2 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 88 88 t 1H J 42 | 81 80 m 2H | 79 79 m 2H | 54 53 q 1H J 67 | 47 47 d 2H J 42 | 27 27 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2c1ccc1nc3cc(Cl)cc(C(=O)NCCN(C)C)c3nc12
ir: 9 7 12 6 7 7 11 9 5 9 9 6 11 11 8 5 9 7 7 6 5 6 9 5 8 8 12 20 8 7 8 8 6 8 11 6 8 28 55 18 7 16 7 0 16 11 10 5 6 7 8 1 65 6 7 15 45 51 9 8 5 6 6 21 6 5 21 18 50 24 7 6 7 15 9 6 6 6 14 25 10 6 6 5 6 6 7 25 15 6 9 22 15 6 13 14 13 8 5 16 6 5 5 5 7 7 13 17 6 8 8 6 5 8 7 9 8 7 9 13 14 18 9 10 21 10 22 10 5 5 6 9 20 21 17 6 6 4 6 6 13 23 72 4 6 18 48 100 38 32 42 44 14 35 54 7 5 9 7 13 6 4 5 7 5 4 5 6 5 4 4 5 5 4 5 6 5 4 5 5 5 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 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 5 4 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 12 13 7 19 59 52 39 15 10 7 6 5 5 5 5 5 5 5 5 5 5 7 10 5 6 15 16 16 16 26 12 39 27 7 8 5 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 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 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 82 82 m 2H | 82 81 m 3H | 78 78 t 1H J 47 | 74 73 t 1H J 83 | 70 70 m 1H | 39 39 s 3H | 36 35 td 2H J 46 60 | 26 25 t 2H J 59 | 23 22 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(I)c(Cl)c1
ir: 2 3 2 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 5 2 2 1 1 1 1 1 1 1 1 1 1 1 2 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 11 3 1 1 1 1 5 1 1 1 1 1 1 1 7 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 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 4 2 1 3 1 1 1 1 3 4 1 1 1 1 1 1 1 1 1 0 1 3 1 0 1 2 0 0 2 3 100 2 4 16 5 2 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 5 19 5 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 d 1H J 22 | 78 78 d 1H J 80 | 77 77 dd 1H J 21 80 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(=O)NCc1cccc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
ir: 10 10 9 15 11 10 11 14 11 14 13 8 8 10 9 10 8 9 9 13 11 12 10 11 9 14 19 13 14 15 19 22 35 64 17 38 15 17 28 13 11 9 10 11 10 8 29 35 19 19 18 13 15 24 30 12 13 16 14 13 11 10 8 8 10 11 19 32 24 10 13 9 9 11 35 19 13 11 9 8 8 10 8 8 8 7 9 13 44 12 8 8 8 10 11 12 14 16 16 16 12 8 9 12 12 9 9 9 8 7 8 8 8 9 8 8 9 14 12 9 18 13 11 12 12 10 22 12 20 9 10 12 9 8 9 9 9 11 9 19 18 16 28 37 31 32 32 26 23 40 15 15 23 17 12 0 49 9 15 29 37 25 10 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 7 8 9 11 10 8 8 9 8 8 11 15 17 19 31 100 52 29 20 11 12 10 8 8 9 8 7 8 7 8 8 8 9 9 8 7 9 11 11 19 32 13 14 9 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 75 74 tq 1H J 10 18 | 74 72 m 3H | 72 72 t 1H J 81 | 70 69 t 1H J 55 | 69 68 m 2H | 62 62 q 1H J 13 | 53 53 dd 2H J 8 36 | 52 51 t 2H J 9 | 44 43 dt 2H J 9 55 | 40 39 s 2H | 34 33 s 2H | 24 23 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Cc1ccccc1OCc1cc(Cl)cc(CCCO)c1
ir: 12 2 3 3 3 3 3 5 3 7 6 1 2 1 1 1 1 0 1 1 1 1 1 1 1 2 3 5 4 3 3 5 3 1 1 1 1 1 6 5 2 2 3 8 4 1 1 1 1 1 2 2 1 2 3 4 2 1 1 1 2 3 3 2 5 10 9 6 4 8 6 5 2 1 2 4 1 1 1 1 1 2 2 2 6 4 12 26 13 21 4 6 17 11 13 10 3 3 3 2 0 1 3 3 2 4 10 4 1 1 7 2 1 1 2 2 2 2 2 5 18 5 5 3 6 4 12 8 8 4 7 7 1 1 2 1 2 13 3 1 2 11 19 7 12 16 4 3 17 5 1 0 0 1 1 1 0 1 4 2 6 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 1 2 3 2 2 2 4 3 1 2 1 2 1 4 12 18 10 26 100 21 8 6 4 2 6 5 10 5 2 2 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 73 73 m 2H | 73 72 td 1H J 18 78 | 72 71 td 1H J 12 76 | 71 70 tt 1H J 9 21 | 70 69 tq 1H J 10 22 | 69 69 dd 1H J 13 79 | 51 51 d 2H J 9 | 38 37 q 2H J 58 | 36 36 d 2H J 9 | 27 26 m 3H | 19 18 tt 2H J 60 83 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1nnc(N2CCNCC2)s1
ir: 0 7 11 12 8 7 6 4 2 2 4 3 1 5 3 2 1 3 5 8 4 2 2 2 2 2 3 1 1 2 3 2 2 3 4 2 2 3 2 2 2 4 3 4 14 6 4 2 7 10 43 82 100 61 13 3 29 22 10 7 4 7 11 16 12 3 3 7 21 16 5 2 4 4 2 1 2 3 2 1 2 2 2 2 3 4 5 2 2 3 2 6 7 3 22 71 31 27 22 13 8 8 4 3 9 16 24 12 30 68 51 17 23 27 43 30 35 26 21 11 9 4 5 5 4 4 2 7 23 13 19 14 11 3 4 4 4 2 2 5 8 20 24 5 2 2 2 3 4 2 1 3 2 2 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 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 4 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 5 6 4 3 4 2 2 2 3 3 3 8 6 2 1 2 4 2 2 2 3 2 2 2 2 2 2 3 3 5 11 6 4 67 71 91 12 4 4 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 37 36 m 4H | 31 29 dtd 4H J 9 34 44 | 21 21 p 1H J 32
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCC(CCCO)CC1
ir: 27 15 16 19 24 28 11 22 10 26 19 38 21 24 11 10 6 8 11 8 6 3 2 4 4 2 2 5 5 3 3 4 4 1 2 5 4 2 3 5 4 2 2 5 3 1 3 5 4 2 3 7 4 2 4 12 5 5 5 7 6 10 5 7 7 4 9 11 10 4 5 12 8 9 10 8 4 9 9 8 8 4 10 12 11 27 74 100 52 34 84 59 25 12 10 10 15 7 11 8 2 5 10 9 6 16 29 19 10 7 8 12 17 27 19 14 6 17 8 18 27 34 38 10 8 11 10 5 3 13 9 10 4 13 16 14 12 7 14 6 4 6 4 4 3 4 3 2 3 27 28 36 9 7 4 0 2 5 3 0 2 5 3 0 3 5 3 1 2 4 2 0 2 4 2 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 3 1 3 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 5 4 5 8 9 12 11 14 10 6 6 10 13 10 9 20 31 18 18 14 10 8 14 33 10 41 75 100 44 56 22 13 14 5 8 7 6 4 6 5 6 5 6 7 5 3 6 4 4 3 7 4 4 3 3 3 1 2 4 3 1 2 3 2 1 2 4 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 41 40 q 2H J 65 | 37 36 ddd 2H J 58 85 121 | 36 35 q 2H J 60 | 34 33 ddd 2H J 59 86 123 | 27 27 t 1H J 56 | 19 18 ddt 2H J 58 86 126 | 17 16 ddt 2H J 57 86 126 | 16 15 m 3H | 14 13 tdd 2H J 12 67 86 | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(COc1ccc(OCc2ccccc2)cc1)OCC
ir: 2 1 1 2 3 4 3 5 3 4 5 6 5 3 1 2 2 2 2 3 1 3 1 1 1 0 0 2 5 6 5 7 3 3 3 2 2 4 10 16 23 8 5 2 2 2 2 1 2 3 2 1 3 13 51 29 18 8 4 3 3 5 5 4 13 11 21 11 8 36 5 5 6 3 5 8 16 4 10 12 8 4 3 1 1 1 3 6 10 4 2 1 1 1 1 1 2 3 4 1 1 1 1 1 1 3 3 2 0 0 1 2 2 1 3 1 3 2 5 3 4 3 2 2 3 2 2 4 6 6 2 1 2 4 4 9 2 3 2 1 1 2 9 8 6 3 5 14 17 4 6 9 19 5 2 1 1 1 0 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 4 1 1 1 2 1 1 1 2 2 2 3 11 11 18 43 100 68 31 8 3 2 2 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 ddt 2H J 9 15 66 | 74 73 m 2H | 73 73 m 1H | 70 70 m 2H | 68 68 m 2H | 51 50 t 2H J 9 | 48 48 t 1H J 27 | 41 41 d 2H J 26 | 37 36 dq 2H J 63 113 | 36 35 dq 2H J 63 113 | 12 12 t 6H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCn2c1cc(OCc1cccc(F)c1F)nc2=O
ir: 1 2 2 2 2 1 3 3 2 3 6 6 3 3 4 4 2 3 4 2 1 2 3 1 1 2 2 1 1 2 2 1 2 6 2 2 3 4 3 2 6 6 11 24 22 11 19 24 9 4 5 2 2 3 2 1 2 3 2 1 2 2 2 2 2 5 2 5 6 4 10 6 16 11 6 2 3 3 2 2 3 7 4 5 4 2 3 4 3 6 18 8 7 5 4 4 3 3 1 3 4 4 5 3 2 2 1 2 2 2 4 5 4 5 2 3 4 3 8 3 4 16 6 5 5 6 13 6 7 3 2 3 3 3 3 5 6 3 4 3 46 3 3 2 2 2 2 2 1 2 2 1 1 26 100 14 6 1 2 6 7 13 47 6 3 0 1 3 2 0 1 3 2 0 1 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 1 1 3 2 4 2 3 3 2 2 3 2 3 24 5 10 15 29 7 4 5 3 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 72 72 m 1H | 71 70 m 2H | 53 53 m 3H | 40 39 ddd 1H J 40 55 112 | 38 38 ddd 1H J 40 55 114 | 33 33 t 2H J 55 | 29 29 s 2H | 19 18 qdd 2H J 26 39 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cc(F)c(Cn3ncc4cc(C(C)(C)C)cc(F)c4c3=O)cc2CO)ccn1
ir: 3 4 6 6 7 10 7 3 4 6 5 4 5 6 5 6 4 4 27 18 2 5 5 3 5 13 8 3 4 7 6 8 13 11 14 1 4 4 2 2 11 5 4 13 3 3 3 3 7 10 8 4 2 2 4 2 2 2 3 4 4 4 10 11 7 12 21 78 46 13 14 5 5 12 10 4 7 3 3 4 5 7 15 11 18 36 100 37 27 24 6 8 9 10 3 3 7 11 3 2 3 3 1 2 3 3 6 9 6 4 6 4 4 3 0 6 16 15 9 9 7 6 3 7 11 14 5 7 11 5 3 5 8 3 5 4 6 35 5 11 6 5 4 4 6 12 8 8 6 4 2 5 52 11 5 13 5 1 10 50 11 5 5 7 17 14 3 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 3 2 3 3 2 3 3 3 3 4 4 4 1 5 6 7 3 24 21 14 84 38 21 13 10 5 5 34 72 57 24 14 2 8 5 4 2 2 3 2 2 4 2 2 2 3 3 2 2 2 3 2 2 3 2 1 3 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 81 m 2H | 77 77 d 1H J 22 | 74 74 dt 1H J 9 43 | 74 73 m 2H | 72 71 m 2H | 54 54 dd 2H J 9 35 | 48 48 dd 2H J 8 58 | 40 39 s 3H | 34 33 t 1H J 57 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncnc2c1c(I)nn2-c1cc[n+]([O-])cc1
ir: 1 3 4 6 1 1 2 3 2 2 2 1 1 1 2 4 3 4 5 1 3 4 2 8 3 4 8 5 6 5 5 4 7 4 3 2 3 7 4 5 5 3 2 4 15 23 5 4 3 3 55 15 6 3 2 1 2 3 2 0 1 2 2 4 13 16 11 3 5 6 3 1 5 1 3 10 2 2 4 5 1 1 0 0 1 1 0 1 1 1 0 0 2 3 4 4 2 2 1 1 1 1 3 5 3 2 7 10 11 4 7 2 1 3 5 7 1 1 0 0 0 0 0 0 1 0 1 1 0 2 2 1 2 2 1 1 1 0 0 1 1 1 1 30 19 2 1 1 20 5 7 13 4 1 1 12 100 38 2 7 5 0 1 1 1 0 1 1 6 5 1 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 1 1 1 0 1 1 0 0 0 1 1 0 0 1 1 1 4 11 12 7 23 80 17 8 3 1 1 1 0 1 1 1 1 0 1 6 8 14 3 2 0 1 1 2 21 4 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 69 68 s 2H | 44 44 m 2H | 39 38 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)NC1CCc2c(c3cc(C#N)ccc3n2Cc2cccc(F)c2)C1
ir: 0 1 1 1 0 1 0 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 8 3 1 1 0 1 2 9 3 1 2 2 1 2 8 5 11 30 4 3 2 3 5 10 13 3 1 1 1 1 1 3 3 1 0 2 1 0 1 1 4 1 1 3 6 6 3 1 3 1 1 2 3 1 1 1 1 1 1 0 0 2 1 1 0 16 0 1 1 0 0 0 1 1 1 2 1 1 1 2 2 0 1 2 3 2 3 2 2 1 1 1 0 1 1 1 2 3 4 8 3 1 4 1 1 2 2 1 0 1 1 1 0 0 1 1 3 5 7 6 2 1 3 5 10 5 20 100 11 6 1 7 2 1 0 0 1 4 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 1 0 1 0 1 0 1 2 1 1 1 1 1 2 2 2 6 1 16 33 9 5 3 1 1 2 2 1 1 1 1 0 0 1 0 1 1 1 2 2 3 3 6 32 21 4 3 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 22 | 76 75 dd 1H J 22 66 | 75 74 d 1H J 68 | 73 73 ddd 1H J 50 67 77 | 72 71 ddq 1H J 10 20 68 | 71 70 ddddd 2H J 11 22 77 101 112 | 62 62 d 1H J 81 | 61 60 q 1H J 46 | 55 54 t 2H J 8 | 40 39 m 1H | 33 32 dd 1H J 49 157 | 29 28 m 2H | 28 27 m 4H | 21 20 dddd 1H J 43 59 86 130 | 19 18 dddd 1H J 44 60 86 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(NC(=O)N(c2c3ccccc3nn2-c2ccccc2)C2CCCCC2)cc1
ir: 3 3 2 1 3 1 0 1 3 1 0 2 4 7 8 2 4 2 2 3 8 16 30 7 2 1 1 2 1 1 2 2 2 2 1 3 3 1 1 1 1 1 6 12 9 2 2 2 3 2 1 1 2 2 3 4 4 3 2 2 1 1 1 2 1 1 1 2 1 2 2 2 2 1 2 2 3 3 4 7 2 1 2 1 1 1 2 3 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 3 3 2 2 1 1 1 2 2 1 2 9 7 6 2 2 1 1 2 3 2 2 2 2 2 1 1 2 1 1 1 2 3 1 3 2 3 1 3 2 4 10 5 18 2 1 2 5 2 2 8 21 14 5 1 1 1 1 2 1 5 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 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 2 1 1 2 3 3 2 9 31 16 4 2 2 1 1 2 2 27 100 6 1 1 1 1 1 1 1 1 3 2 4 3 7 9 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 0; 1HNMR: 82 82 s 1H | 81 81 m 1H | 80 79 m 2H | 78 78 m 2H | 76 76 m 2H | 76 75 m 3H | 75 75 td 1H J 13 69 | 74 74 tt 1H J 13 72 | 74 73 ddd 1H J 15 68 82 | 39 39 p 1H J 55 | 21 19 m 2H | 18 16 m 4H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)Oc1ccc(O)c(F)c1C
ir: 9 10 1 2 3 2 2 5 2 4 3 4 4 19 4 6 6 2 2 3 2 3 4 3 3 3 1 2 1 1 2 2 1 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 2 1 2 3 10 31 18 4 5 2 2 2 4 3 3 4 2 7 4 2 2 2 2 2 2 3 5 8 7 3 1 3 3 4 17 58 73 9 3 3 3 3 4 2 3 2 4 5 22 12 2 2 2 2 1 1 4 2 1 1 2 3 9 7 1 6 9 4 4 6 5 5 2 3 2 3 4 4 5 16 4 1 1 6 1 1 1 1 1 1 2 2 52 4 4 46 2 6 2 1 1 1 4 2 1 1 1 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 2 2 2 1 3 2 4 7 21 18 3 5 19 35 4 3 3 2 4 14 100 18 6 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 67 dd 1H J 48 95 | 67 66 d 1H J 97 | 59 59 d 1H J 46 | 42 42 q 2H J 61 | 23 22 d 3H J 48 | 16 15 s 5H | 13 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCSc2ccccc21
ir: 1 2 3 1 1 2 4 3 1 2 6 2 5 13 6 2 2 4 2 2 3 4 3 1 1 2 1 1 1 1 2 1 1 1 6 8 2 3 2 0 7 14 47 48 4 3 2 3 4 1 1 3 2 1 1 2 1 1 2 4 4 20 10 1 5 5 4 5 18 8 7 10 7 4 8 27 17 9 5 4 14 18 6 3 2 10 15 20 9 11 3 2 3 4 11 11 4 2 2 3 2 2 1 2 3 6 38 51 13 4 1 3 4 10 2 7 9 8 9 7 2 2 2 3 1 2 2 3 2 4 4 12 7 2 4 9 27 11 4 3 7 39 37 1 2 5 7 25 32 3 1 2 1 1 2 2 1 1 5 7 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 1 1 1 1 2 2 1 6 7 4 3 4 4 4 3 3 2 31 24 13 12 100 39 8 4 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 72 m 2H | 70 69 m 2H | 35 34 t 2H J 59 | 30 30 s 2H | 29 29 t 2H J 65 | 19 18 p 2H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNCC(O)CNC(=O)c1ccc2[nH]c(N3CCC(Cc4ccccc4)CC3)cc2c1
ir: 22 12 4 16 21 16 27 33 45 28 10 10 39 19 8 14 4 9 7 12 14 13 15 10 13 12 24 19 11 21 11 4 7 10 8 2 7 20 26 48 85 41 31 31 33 19 39 58 23 22 21 19 9 13 5 6 7 7 9 4 11 8 8 8 7 6 10 16 22 16 15 18 18 9 8 19 19 10 8 4 4 4 1 3 11 10 15 28 53 52 14 8 7 3 4 6 15 15 13 8 8 9 10 41 29 14 16 16 42 36 32 34 20 18 22 10 4 14 15 8 15 14 15 13 11 9 14 12 11 7 5 7 3 4 7 19 21 4 6 7 18 23 28 81 32 27 19 14 25 4 3 12 11 8 7 8 5 1 4 26 23 2 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 0 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 2 3 4 4 4 4 6 3 3 3 9 6 22 21 18 22 54 23 34 22 3 6 7 17 26 14 6 4 4 3 8 3 5 9 9 29 100 28 18 19 28 51 69 52 11 9 10 2 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 87 86 dd 1H J 15 23 | 82 81 s 1H | 78 77 dd 1H J 16 74 | 75 74 d 1H J 73 | 73 72 m 2H | 73 72 m 1H | 72 71 m 3H | 64 63 d 1H J 24 | 42 41 d 1H J 53 | 40 40 dp 1H J 44 53 | 37 36 ddd 2H J 54 81 117 | 36 35 tt 1H J 48 64 | 35 34 m 3H | 33 32 ddd 1H J 44 68 139 | 29 28 ddd 1H J 44 63 139 | 28 26 m 5H | 22 21 ddt 2H J 56 82 124 | 20 19 m 1H | 19 18 ddt 2H J 55 82 125 | 15 14 m 2H | 9 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)C
ir: 2 4 3 3 1 2 3 2 1 2 2 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 3 7 9 5 9 5 1 1 1 2 1 1 1 9 10 0 4 8 24 6 19 16 8 19 10 2 3 5 6 21 13 9 3 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 3 4 5 3 2 2 1 1 2 2 2 2 2 2 2 2 3 2 3 4 4 7 5 8 11 18 41 54 66 38 30 42 29 16 8 6 20 21 32 19 32 59 39 12 3 2 2 2 2 2 1 1 2 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 1 1 1 1 1 2 3 4 6 9 9 17 18 8 6 3 8 5 4 8 9 19 37 55 100 68 39 12 7 3 2 3 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 12 12 q 2H J 84 | 9 8 s 8H | 8 8 t 4H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1c(N)c(C#N)c(-c2ccccc2)c2c1CCC2
ir: 44 43 26 54 75 17 40 30 100 21 8 12 10 7 8 14 9 8 5 9 13 8 6 8 8 7 7 9 11 10 10 14 15 8 8 9 9 9 13 17 37 16 14 14 16 12 10 11 16 14 11 10 10 7 7 10 9 10 10 13 11 6 8 10 7 5 8 11 15 12 8 9 6 7 8 10 9 12 8 8 6 6 8 8 7 7 11 19 23 14 14 7 7 6 7 7 6 6 7 7 6 6 7 7 7 7 7 7 6 7 8 8 11 16 11 8 7 7 10 9 10 12 11 7 6 8 8 6 6 8 8 7 6 8 11 10 7 7 7 7 7 7 17 53 5 9 9 6 7 14 15 31 36 16 7 9 14 21 40 30 92 34 8 10 7 7 7 7 7 7 7 6 7 7 6 7 7 6 7 7 6 9 42 0 7 9 6 5 7 8 6 5 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 5 6 7 7 5 6 7 6 5 6 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 7 7 7 6 7 10 9 7 7 8 7 7 8 9 12 19 11 58 19 10 11 8 9 6 7 8 7 6 7 7 6 5 7 8 6 25 19 7 7 6 7 7 6 6 7 8 9 52 81 13 7 7 6 6 7 7 7 6 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6; 1HNMR: 75 74 m 4H | 74 73 m 1H | 45 45 s 2H | 32 32 m 2H | 31 30 m 2H | 23 22 pd 2H J 18 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1cccc(-c2nc(N3CCOCC3)sc2-c2ccnc(Cl)n2)c1F)c1ccoc1
ir: 72 11 6 6 8 5 1 2 4 5 2 6 5 11 7 11 11 14 21 11 10 12 7 12 16 12 17 8 19 11 11 8 15 9 13 73 3 14 15 10 16 4 7 8 9 18 3 4 13 20 39 45 22 6 5 2 4 5 10 4 3 14 4 9 6 10 7 26 20 20 9 5 12 18 9 30 8 3 3 2 3 5 7 8 12 10 9 18 12 9 11 14 7 11 8 8 6 6 19 17 32 10 20 5 3 2 2 4 8 22 12 9 74 16 14 9 5 15 20 15 71 21 5 6 6 7 3 4 2 21 39 27 7 23 10 4 4 41 23 12 20 27 5 1 2 2 4 25 100 14 7 3 5 3 3 9 46 9 8 3 3 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 2 2 1 2 2 3 3 2 13 5 7 21 42 5 8 5 3 4 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 5 17 11 97 20 8 6 1 1 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 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: 85 84 d 1H J 40 | 80 80 dd 1H J 9 16 | 76 76 d 1H J 40 | 76 75 ddd 1H J 13 38 90 | 74 74 dd 1H J 16 24 | 74 73 t 1H J 92 | 72 72 ddd 1H J 13 40 95 | 71 70 dd 1H J 8 25 | 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.
O=C(O)c1ccc(N2CCOCC2)cc1Cl
ir: 2 2 2 3 2 2 3 3 2 3 3 3 2 3 4 4 4 4 12 11 10 16 9 6 5 5 1 3 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 4 3 6 2 1 2 3 2 3 2 2 2 2 3 6 4 2 4 3 4 7 5 6 7 3 7 6 3 5 3 4 3 3 8 3 2 2 2 2 2 2 2 3 3 2 3 4 3 2 2 2 2 3 7 3 2 2 3 2 2 2 2 2 2 2 2 3 2 4 2 3 2 3 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 3 4 4 11 6 2 8 2 2 2 2 2 2 2 2 7 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 5 2 4 11 7 3 2 3 2 0 3 7 3 100 8 0 3 3 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; 1HNMR: 78 77 d 1H J 80 | 69 69 d 1H J 21 | 68 67 dd 1H J 22 81 | 39 38 m 4H | 34 34 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2C[C@H](S(=O)(=O)c3ccccc3C(F)(F)F)C[C@@H]2C(=O)O)n(C2CCCCC2)n1
ir: 1 3 5 5 3 2 3 5 13 10 7 6 7 10 24 21 7 9 9 14 15 26 44 2 2 3 8 8 1 2 2 2 1 2 2 1 1 3 2 2 2 5 100 23 4 2 1 1 1 2 2 2 2 2 2 4 1 3 5 9 4 4 2 2 6 13 26 3 4 2 3 4 16 10 15 7 5 2 9 15 12 8 4 1 5 18 3 11 11 32 2 2 4 2 7 5 4 5 20 5 30 15 21 23 15 8 4 14 18 14 3 6 12 3 1 2 1 2 2 5 5 3 4 3 3 7 2 3 2 4 4 4 3 5 2 2 4 4 4 5 3 4 6 51 1 1 2 3 2 6 9 2 2 1 1 2 1 1 2 8 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 3 6 2 2 3 5 4 3 7 18 4 6 23 20 11 7 3 2 2 2 2 5 18 1 0 1 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 80 80 dd 1H J 13 79 | 78 77 dp 1H J 13 106 | 76 76 ddd 1H J 14 65 105 | 75 74 ddd 1H J 14 66 79 | 54 54 s 1H | 45 45 p 1H J 39 | 44 44 dd 1H J 58 117 | 43 43 ddt 1H J 15 51 68 | 42 42 ddd 1H J 17 39 116 | 41 40 m 1H | 26 25 m 1H | 24 23 ddd 1H J 73 83 133 | 22 22 s 2H | 21 20 dddd 2H J 39 53 78 140 | 19 17 m 4H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)OC[C@H](C(=O)O)O1
ir: 2 1 0 2 3 2 0 7 5 6 8 8 23 23 44 25 46 34 41 100 44 95 23 23 18 57 8 3 2 3 3 1 1 1 2 1 2 3 1 1 1 2 2 2 3 3 2 1 2 2 1 1 1 1 1 1 3 9 6 2 2 2 2 2 2 5 3 3 3 4 4 4 8 9 18 21 41 37 44 49 48 14 16 12 15 9 4 6 4 4 2 2 3 3 3 3 6 14 4 5 6 6 4 5 9 5 5 2 2 1 1 1 2 1 2 2 2 1 2 2 2 2 2 6 9 5 6 3 9 7 1 1 2 1 1 2 1 1 1 5 5 16 31 6 21 54 2 3 7 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 3 2 5 6 8 4 10 1 0 1 1 1 1 1 1 1 6 8 5 2 3 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 95 95 s 1H | 46 46 dd 1H J 25 43 | 42 41 dd 1H J 24 115 | 40 39 dd 1H J 43 116 | 14 14 s 3H | 14 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Oc2ccc(Br)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
ir: 8 3 7 8 13 14 5 9 7 18 13 15 9 13 9 10 6 3 1 2 2 1 2 5 3 1 1 1 2 2 3 6 4 3 2 8 31 99 87 34 23 11 21 23 5 5 5 7 3 2 1 1 2 5 16 11 11 6 3 1 2 2 2 3 10 27 18 15 10 1 2 2 2 3 3 8 3 4 6 11 14 7 63 27 5 4 4 5 2 2 1 1 2 2 2 5 15 8 10 10 3 2 2 3 2 2 2 2 8 7 3 14 14 13 7 3 6 8 5 7 9 11 33 9 3 4 10 6 10 9 19 37 7 4 4 7 8 4 6 2 1 12 2 2 2 1 4 25 39 100 48 63 8 4 5 6 32 4 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 2 2 3 5 4 4 4 5 6 6 2 3 22 24 8 18 30 16 9 4 3 1 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 85 s 1H | 73 72 m 2H | 71 70 dd 1H J 48 83 | 51 50 hept 1H J 60 | 49 49 p 1H J 49 | 37 36 ddd 2H J 60 86 123 | 34 33 ddd 2H J 60 87 125 | 24 22 m 5H | 21 20 dddd 2H J 49 59 86 134 | 13 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(C(=O)O)O1
ir: 1 2 3 3 2 3 3 3 4 4 5 4 15 5 8 8 7 5 12 24 8 92 100 40 27 12 6 4 3 4 3 2 2 3 2 1 2 3 3 1 2 3 2 3 2 2 2 2 2 2 2 2 3 6 5 2 2 2 2 4 3 7 3 2 3 3 5 5 2 3 3 4 6 8 5 10 6 7 12 9 7 4 2 4 4 4 5 9 7 6 3 2 2 3 2 4 5 5 2 2 3 3 3 6 9 4 4 4 4 3 4 10 12 8 4 3 3 2 2 3 3 3 2 3 3 2 3 3 5 4 2 3 2 2 2 2 2 1 2 2 3 4 7 24 55 11 5 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 3 3 3 3 3 7 5 3 7 18 6 2 1 2 2 2 2 2 1 3 5 32 89 20 0 4 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 45 45 td 1H J 9 35 | 45 44 ddd 1H J 8 30 40 | 37 37 s 3H | 24 23 m 2H | 22 21 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=CCC(C2COC(C)(C)C2)C1(C)C
ir: 10 5 3 13 11 6 7 2 1 3 4 2 2 4 10 7 5 10 5 13 4 8 9 7 7 8 3 2 1 2 2 1 2 4 2 1 1 3 8 12 3 4 2 2 3 6 6 2 2 2 2 1 6 8 11 14 18 13 15 18 9 9 26 26 8 6 5 6 16 7 4 4 10 17 9 3 3 3 3 1 3 2 2 1 3 2 1 2 3 3 3 5 5 3 4 3 9 5 7 8 13 50 43 11 14 37 23 10 5 11 15 9 4 6 3 6 14 15 33 31 21 20 20 9 10 7 9 11 34 35 11 25 11 5 3 4 6 3 1 3 3 1 1 3 2 0 1 2 2 1 1 2 2 2 11 13 3 1 1 3 2 0 1 2 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 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 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 3 2 2 8 10 7 5 6 6 6 14 15 6 9 9 14 26 79 85 12 100 18 6 5 3 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 53 52 tqd 1H J 18 37 57 | 39 38 dd 1H J 34 109 | 36 35 dd 1H J 34 109 | 24 23 m 1H | 22 21 m 1H | 20 19 m 2H | 17 16 m 5H | 13 13 s 2H | 12 12 s 2H | 12 11 d 3H J 14 | 11 11 d 3H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCc2ccccc2N1C(=O)OCc1ccccc1
ir: 5 2 4 4 10 9 9 8 5 4 1 8 6 2 3 1 1 1 0 4 21 3 0 1 1 0 1 2 7 8 8 6 6 0 5 2 3 6 31 8 14 6 14 30 3 22 8 3 2 3 2 10 5 2 1 1 2 2 2 3 1 1 1 1 1 1 1 7 10 4 3 10 17 4 1 1 2 2 2 2 1 0 1 1 2 2 2 1 6 6 2 3 3 0 1 1 1 5 11 4 1 4 1 1 2 0 1 0 0 0 1 1 3 1 2 1 1 2 6 4 2 4 1 1 2 2 2 1 3 1 1 6 45 9 7 5 5 7 4 2 2 3 10 9 7 1 16 5 1 6 25 5 5 56 6 12 3 1 1 2 8 34 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 2 3 5 1 1 1 1 0 1 7 8 4 15 100 17 7 4 2 1 2 1 1 2 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 14 75 | 74 73 m 6H | 72 71 ddt 1H J 8 18 82 | 71 70 td 1H J 15 79 | 52 52 s 2H | 30 29 m 2H | 28 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1ccc(C(=O)N(C)OC)cc1
ir: 15 12 3 9 13 5 0 6 11 7 4 12 12 4 0 6 12 4 1 7 8 3 14 13 9 2 6 8 10 2 24 15 25 7 7 8 8 14 45 29 100 8 10 14 8 1 5 9 6 0 6 11 6 5 15 22 28 8 21 17 6 4 7 16 6 1 7 9 6 11 8 11 4 1 8 8 4 1 7 8 3 2 8 10 4 2 11 10 3 4 8 9 4 5 23 11 1 3 8 6 2 9 11 7 2 4 9 6 1 5 10 8 1 9 15 7 5 13 11 12 15 19 38 23 31 38 31 9 4 10 15 22 8 8 8 3 1 7 8 2 2 8 10 13 28 22 19 8 19 79 57 12 20 12 8 4 5 8 6 1 4 10 9 2 4 9 5 1 4 9 5 0 5 9 4 0 5 9 4 1 5 8 4 1 5 8 3 1 6 7 3 2 6 7 3 2 6 7 2 2 7 7 2 3 7 6 2 3 7 6 1 3 7 6 1 4 8 5 1 4 8 5 1 4 8 5 0 4 9 4 0 5 8 4 1 5 8 4 1 5 8 4 1 6 7 3 2 6 7 3 2 6 7 3 2 6 7 2 3 7 6 2 3 7 6 2 3 7 6 5 6 10 6 2 4 11 8 4 7 9 9 7 14 27 23 36 38 29 31 11 12 13 6 9 11 12 5 4 6 7 4 2 6 7 3 2 6 7 3 2 6 6 3 3 7 6 3 3 7 6 2 3 7 6 2 3 7 5 2 4 7 5 2 4 7 5 1 4 8 5 1 4 8 4 1 5 8 4 1 5 7 4 2 5 7 4 2 5 7 3 2 5 7 3 2 6 6 3 3 6 6 3 3 6 6 3 3 6 6 2 3 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 4 1; 1HNMR: 77 76 m 2H | 73 73 dq 2H J 9 81 | 36 35 s 3H | 31 31 s 3H | 27 26 tt 2H J 9 63 | 17 16 qt 2H J 63 76 | 10 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(-c2ccc(CCc3ccncc3)cc2)c2cccnc2n(O)c1=O
ir: 10 3 6 3 4 4 7 9 7 5 3 9 6 8 7 4 7 17 16 4 2 2 2 3 4 6 1 2 3 4 2 5 9 3 8 4 9 31 7 3 22 9 5 4 5 7 62 32 21 9 3 3 4 10 7 6 3 3 6 2 7 6 3 26 3 3 4 4 1 12 3 4 17 37 10 4 1 1 4 2 2 4 6 2 1 1 4 6 17 23 14 8 16 38 40 8 15 8 5 4 2 3 2 2 9 24 5 2 2 1 8 6 6 7 3 2 6 11 8 2 2 3 8 5 3 4 3 1 1 2 2 1 1 2 79 8 1 3 3 1 41 14 2 4 3 3 5 8 45 41 1 100 6 4 4 3 4 24 41 20 28 28 3 12 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 2 1 1 2 2 2 2 2 2 1 4 14 14 7 25 46 54 15 5 3 3 0 5 41 13 2 1 2 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 87 86 dd 1H J 21 47 | 85 85 m 2H | 81 80 dd 1H J 21 81 | 78 77 m 2H | 74 74 dd 1H J 48 82 | 73 72 dt 2H J 9 84 | 71 71 dq 2H J 9 38 | 43 42 q 2H J 71 | 29 28 m 4H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC1=CCCCC1)CC1=CCCCC1
ir: 7 5 28 23 11 8 10 4 9 6 10 17 14 4 5 11 38 11 2 26 10 13 53 25 15 5 2 4 5 2 3 3 3 4 10 10 3 2 2 6 4 3 3 3 3 8 9 11 7 15 16 8 13 10 9 11 10 5 4 8 7 3 5 8 11 15 8 7 6 4 12 12 11 8 4 4 1 1 2 3 1 1 3 3 2 2 7 21 18 42 12 18 5 8 20 4 10 4 3 4 0 2 4 3 1 2 6 3 0 10 30 14 5 22 49 92 48 34 27 24 27 12 22 10 13 15 8 15 17 20 8 7 3 10 15 22 15 6 7 3 10 50 46 21 9 8 3 3 2 3 2 2 2 3 4 3 9 29 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 3 2 1 1 2 3 2 2 2 2 2 2 4 2 2 3 4 3 5 4 4 5 16 11 51 22 15 8 4 7 7 9 79 100 50 82 18 16 4 5 7 3 2 3 4 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 57 57 ddq 2H J 11 31 56 | 31 31 q 4H J 11 | 22 22 ddtd 4H J 11 21 51 61 | 20 19 dtq 4H J 12 34 70 | 16 15 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCC[C@H](C)[C@@H](C)CN
ir: 1 1 1 1 0 1 1 2 1 1 0 1 0 1 1 1 1 2 1 1 1 0 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 4 7 3 3 4 5 4 19 19 1 12 15 23 9 10 4 7 4 4 5 6 5 6 8 10 7 13 0 9 15 34 15 9 12 7 11 9 15 21 8 5 11 9 23 8 6 2 1 1 1 0 0 1 1 1 2 1 1 1 4 2 2 1 1 4 1 2 4 3 3 3 4 2 2 4 2 2 2 7 5 5 10 8 9 6 8 5 4 6 4 5 14 19 22 46 45 40 19 12 13 6 8 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 0 1 1 1 1 1 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 0 1 1 0 0 0 0 0 0 1 1 1 2 2 1 1 2 1 1 3 2 4 3 4 4 8 9 15 6 5 3 2 2 1 1 1 1 0 3 4 5 13 14 26 45 29 9 4 5 5 4 70 100 39 7 6 2 2 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 51 51 tdq 1H J 13 27 65 | 28 27 dtd 1H J 49 65 114 | 26 25 dtd 1H J 48 65 114 | 21 20 m 1H | 20 19 m 1H | 17 16 hept 3H J 12 | 16 16 hept 3H J 13 | 16 15 m 1H | 15 13 m 1H | 14 13 s 1H | 14 13 t 2H J 65 | 12 11 m 1H | 9 9 dd 3H J 15 69 | 9 8 dd 3H J 15 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
ir: 11 9 5 6 3 7 20 9 9 12 12 7 3 2 2 2 2 2 3 6 10 6 7 8 12 10 7 6 11 4 21 4 13 14 7 6 6 4 6 10 32 35 93 31 7 10 3 0 2 5 4 1 2 1 2 1 3 8 2 3 2 2 1 1 1 2 3 4 9 6 2 1 5 4 2 4 4 2 5 2 7 1 1 0 1 2 3 6 10 21 5 4 1 1 1 1 3 12 3 4 4 1 0 1 1 1 1 2 9 9 9 11 11 4 1 2 2 6 5 4 8 8 11 10 10 10 7 7 5 13 29 6 3 2 2 9 3 6 2 2 3 5 10 42 17 21 20 40 4 11 54 41 1 3 5 2 1 1 1 0 4 2 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 3 6 4 2 2 3 6 6 3 8 28 11 19 25 100 6 6 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 5 5 4 33 37 20 14 7 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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; 1HNMR: 79 78 m 1H | 74 73 m 5H | 73 73 m 1H | 73 72 m 2H | 69 69 t 1H J 51 | 53 52 s 2H | 49 49 dd 1H J 51 70 | 33 32 ddd 1H J 8 51 148 | 32 31 m 2H | 31 30 ddd 1H J 9 70 148 | 16 15 m 2H | 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.
CCOC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1
ir: 3 3 8 6 6 8 16 23 16 9 7 4 5 2 2 2 1 1 4 1 1 1 0 0 0 0 2 2 2 3 0 1 1 3 1 1 0 1 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 7 4 1 1 1 1 1 2 3 2 4 4 6 2 2 3 45 6 1 0 1 1 1 1 1 3 8 21 8 13 11 6 11 2 4 4 4 2 1 1 2 1 1 2 3 3 8 6 7 5 7 9 3 5 5 7 7 5 12 4 2 2 3 2 10 2 1 1 4 14 6 4 2 2 2 2 1 0 2 16 52 8 4 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 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 2 2 2 3 3 3 2 2 3 2 4 3 17 10 4 3 1 1 1 1 2 3 23 100 9 4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 58 58 s 1H | 51 51 p 1H J 48 | 42 41 q 2H J 66 | 23 22 dt 4H J 86 116 | 18 18 dd 2H J 47 129 | 16 15 m 3H | 16 15 m 3H | 13 12 m 12H | 12 11 d 12H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(CNC23CC4CC(CC(C4)C2)C3)cc1/C=C/C(=O)O
ir: 1 1 2 1 1 1 2 2 2 4 5 18 8 3 1 5 2 4 6 6 47 100 27 29 5 6 1 4 2 1 1 2 2 1 3 4 6 6 11 16 13 6 3 10 5 4 4 1 2 2 1 1 1 1 1 2 2 3 5 5 3 2 5 6 6 3 1 2 1 1 3 2 5 3 5 8 20 67 33 68 20 11 15 2 3 7 9 2 3 2 5 1 3 10 9 3 1 1 2 2 1 1 3 2 2 1 5 5 3 3 4 3 7 4 4 17 9 12 5 5 2 2 1 3 3 8 4 7 19 8 9 4 2 7 7 11 14 16 12 5 1 1 1 1 5 8 7 1 1 1 1 1 1 1 1 0 6 3 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 4 2 2 3 2 2 2 3 6 21 12 4 2 8 6 5 4 4 3 2 1 11 30 27 2 1 1 2 2 5 10 34 17 28 4 2 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 161 | 70 70 dt 1H J 10 19 | 65 65 dt 1H J 9 17 | 64 63 d 1H J 161 | 38 38 dt 2H J 9 42 | 37 37 s 3H | 28 27 t 1H J 41 | 21 20 hept 3H J 53 | 18 17 m 9H | 16 15 dt 3H J 54 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1cccc(O)c1
ir: 2 13 7 5 4 5 4 11 16 7 5 5 6 5 11 27 6 4 4 5 3 2 1 2 4 2 2 2 2 1 2 30 22 3 3 11 3 2 2 2 2 4 2 2 2 3 4 0 6 12 2 5 4 1 11 4 5 3 3 3 2 3 3 14 33 13 18 42 18 3 5 7 3 1 5 4 8 7 8 12 21 19 9 18 91 25 11 27 8 36 11 11 19 16 12 7 2 10 22 27 9 8 5 3 1 3 5 22 6 3 19 3 1 2 3 2 2 2 3 4 22 4 6 2 5 4 6 19 3 9 9 3 2 3 9 2 2 2 2 3 29 3 4 1 6 10 7 2 1 25 3 2 5 9 18 2 2 3 2 1 3 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 3 3 2 2 2 3 3 1 2 2 3 2 5 5 13 11 15 100 29 5 3 5 3 2 9 33 5 4 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 81 81 s 1H | 75 75 ddd 1H J 12 21 86 | 74 74 t 1H J 83 | 73 72 ddq 1H J 10 29 121 | 72 71 t 1H J 21 | 70 69 m 2H | 69 68 dd 1H J 46 83 | 38 36 m 4H | 36 35 m 2H | 35 34 ddd 1H J 43 69 121 | 13 12 d 3H J 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
ir: 2 4 1 6 3 1 5 21 6 3 17 7 4 10 9 10 7 5 7 36 25 48 25 9 27 10 6 5 3 3 1 10 26 4 2 2 2 2 1 3 4 1 3 5 7 2 5 32 3 1 3 4 1 1 1 2 5 3 1 2 2 4 12 3 5 1 8 15 7 3 9 7 6 2 7 5 5 19 22 51 22 20 3 9 10 35 15 100 35 14 2 5 6 19 2 3 2 8 10 4 22 4 2 1 1 2 2 2 2 2 4 5 4 44 7 4 0 2 2 4 1 2 4 9 2 3 6 14 5 2 2 3 1 2 1 1 1 1 2 2 18 4 6 34 4 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 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 2 1 1 1 1 1 1 2 2 2 2 1 2 2 1 1 4 19 4 4 22 8 3 1 1 2 1 1 1 3 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 s 1H | 81 81 t 1H J 21 | 77 77 m 2H | 77 76 dd 1H J 84 100 | 37 37 dd 1H J 57 83 | 36 35 m 1H | 35 34 m 1H | 22 21 m 1H | 19 18 m 1H | 18 17 m 1H | 18 17 m 1H | 17 16 m 1H | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N1C(=O)C(=O)N(c2ccc(C#N)cc2)C1=S)C(C)(C)C
ir: 3 4 5 3 55 9 4 4 2 9 3 6 2 2 1 2 2 5 3 2 2 2 4 3 4 42 5 4 5 8 23 7 7 5 31 54 25 22 4 3 6 3 2 2 2 2 2 2 3 3 6 12 6 4 4 13 60 10 4 4 22 7 9 3 3 2 6 2 3 15 14 6 3 2 3 4 7 3 2 5 4 3 2 2 2 3 6 4 4 2 2 2 4 5 8 25 5 6 8 4 3 4 4 3 6 3 2 2 2 3 3 3 10 7 10 10 7 5 6 6 6 8 9 5 4 6 4 9 5 6 7 17 9 19 6 2 13 2 2 3 3 2 1 4 3 4 9 100 56 29 11 4 8 11 15 0 2 3 2 1 1 15 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 0 2 4 21 4 1 1 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 1 3 3 2 2 2 2 2 2 2 3 3 5 6 15 20 9 28 31 9 14 6 3 6 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 79 78 m 2H | 77 76 m 2H | 47 47 ddddt 1H J 15 29 44 59 106 | 13 13 d 3H J 92 | 10 10 d 9H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CC#CCCCC#N)c1ccco1
ir: 1 2 2 3 5 4 3 6 9 3 5 3 6 2 3 1 1 1 2 1 1 2 2 2 5 5 6 1 2 8 3 1 2 4 2 6 33 33 27 10 9 6 6 3 2 2 2 2 1 3 3 4 5 4 3 4 4 3 1 2 7 5 10 5 8 7 10 18 14 7 5 7 5 2 2 2 3 3 5 10 9 4 5 8 3 2 1 2 1 1 3 3 1 1 1 2 2 2 1 2 1 1 0 1 1 1 3 4 3 6 9 20 7 3 2 4 3 13 11 12 9 7 8 4 7 9 14 10 5 7 3 2 1 2 2 2 1 1 1 3 6 29 2 2 2 1 2 2 6 11 17 6 31 5 2 4 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 4 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 0 0 0 1 1 0 1 0 1 1 1 1 1 1 0 1 1 1 1 1 2 2 3 5 7 12 4 4 2 3 5 3 6 20 18 23 7 11 18 100 63 27 8 5 2 2 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 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 0 0 0 1; 1HNMR: 75 74 t 1H J 16 | 65 64 m 1H | 64 63 dd 1H J 15 49 | 45 45 dddd 1H J 12 22 48 61 | 32 31 d 3H J 16 | 30 29 ddt 1H J 26 49 128 | 27 27 ddt 1H J 26 49 128 | 25 25 t 2H J 56 | 24 23 m 2H | 20 19 p 2H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1COc1ccc(NC(=O)OC(C)(C)C)c(N)c1
ir: 10 19 20 74 8 14 10 19 21 21 9 15 7 10 20 11 8 7 8 7 5 8 18 8 14 18 18 24 18 23 46 47 26 27 16 10 15 7 26 5 6 3 26 17 4 6 3 2 2 4 4 5 14 21 17 11 14 9 4 3 3 3 4 2 4 11 6 10 10 9 8 14 4 7 4 7 8 14 8 5 6 5 1 2 4 3 2 3 5 8 14 5 4 5 3 3 4 5 4 6 8 7 3 9 12 3 2 3 6 9 6 9 21 20 6 5 6 7 3 8 11 6 4 4 4 4 2 6 4 9 20 9 6 2 2 4 15 18 6 4 6 2 16 10 24 40 12 17 37 24 44 35 34 5 6 10 28 62 21 13 3 3 3 15 9 1 2 3 1 0 1 3 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 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 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 0 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 4 2 3 3 2 1 2 3 2 2 5 6 8 26 28 5 29 48 41 18 3 2 2 3 2 1 2 2 1 1 2 2 2 2 3 24 31 12 3 18 29 39 36 13 8 4 6 41 100 22 8 4 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 78 dd 1H J 18 76 | 75 74 m 4H | 74 74 ddt 1H J 9 20 77 | 73 73 s 1H | 68 67 dd 1H J 22 88 | 65 64 d 1H J 22 | 53 53 d 2H J 9 | 46 45 s 2H | 39 39 s 3H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCCCO)c1ccc(C=O)cc1
ir: 6 4 8 10 5 7 4 4 5 7 1 3 5 3 2 5 6 6 3 5 5 10 9 6 5 3 2 3 4 2 1 3 3 2 3 4 13 5 5 9 5 3 1 4 2 2 3 7 5 3 15 15 38 100 71 11 7 6 3 2 5 3 7 5 7 4 12 6 5 16 30 7 5 10 11 13 8 6 5 6 6 3 6 13 17 20 20 52 44 79 82 32 20 23 23 17 14 9 11 20 9 9 6 7 27 34 17 11 8 9 9 4 2 3 7 5 1 8 8 11 18 15 10 5 9 6 7 3 5 6 4 2 2 2 4 2 2 4 7 3 4 6 13 24 71 28 7 1 2 9 18 9 16 26 6 7 2 4 2 1 2 2 2 20 40 5 3 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 4 12 17 8 5 0 4 7 3 2 3 7 3 2 6 15 21 16 62 22 32 10 11 11 8 5 39 61 18 11 4 2 3 4 3 2 2 3 2 2 2 2 3 2 1 2 2 2 2 2 2 3 2 2 2 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 99 99 s 1H | 78 77 m 2H | 68 68 m 2H | 36 35 q 2H J 58 | 33 32 t 2H J 56 | 29 29 s 4H | 17 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(OC)CNCC(C(=O)Nc2ccc(Cl)cc2)C1
ir: 2 14 8 2 2 2 3 2 2 3 5 4 2 2 9 9 2 3 4 2 2 1 1 1 0 2 2 1 2 3 4 5 7 9 12 6 5 4 13 11 6 9 16 19 27 20 10 5 7 6 14 13 15 43 24 12 13 0 6 2 15 7 9 7 29 4 7 12 5 14 0 1 2 3 2 1 5 1 2 1 0 1 0 0 2 1 2 3 4 1 2 2 6 4 2 4 7 3 1 2 3 2 1 2 15 25 5 6 5 6 8 5 6 9 3 60 47 34 17 6 2 5 3 3 0 14 35 34 11 3 5 3 3 2 2 3 2 2 1 1 1 1 5 8 4 5 5 22 18 29 48 7 11 22 19 8 5 1 1 1 1 2 29 4 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 2 5 2 3 3 2 4 3 4 5 6 28 18 11 13 11 2 3 5 5 2 3 3 4 3 3 3 4 1 4 2 4 18 100 71 11 17 14 46 42 11 6 1 2 1 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 76 75 m 2H | 74 73 m 2H | 33 33 s 5H | 33 32 m 2H | 32 31 ddd 1H J 38 51 132 | 30 29 m 2H | 28 27 p 1H J 49 | 24 23 dd 1H J 62 157 | 21 21 dd 1H J 61 157
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1C1CC1
ir: 4 3 1 4 4 3 2 3 4 4 3 3 3 2 2 3 4 2 3 8 5 2 3 4 10 3 2 3 4 6 2 8 3 3 4 3 3 9 12 8 10 8 3 8 5 2 4 13 51 14 29 31 11 7 4 8 9 5 7 47 32 5 6 5 27 9 4 6 17 5 3 2 3 3 3 6 3 3 2 3 3 3 3 2 3 3 5 7 3 3 5 9 3 3 3 4 11 3 3 3 3 3 3 4 5 2 3 3 2 2 3 3 3 3 4 3 3 3 4 6 4 8 3 3 4 4 11 17 8 12 5 7 4 13 2 3 9 17 3 3 7 4 2 4 4 0 50 3 25 7 10 6 4 10 12 7 87 3 3 3 3 21 3 4 3 2 2 3 4 3 3 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 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 3 3 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 3 4 3 3 2 3 6 4 3 3 4 3 19 9 10 12 6 8 7 11 49 17 11 6 5 3 3 3 4 3 4 3 3 3 4 3 3 4 6 4 9 25 100 23 13 4 3 3 3 2 3 3 3 3 3 3 3 2 3 3 2 2 2 3 3 3 2 2 3 3 2 2 2 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 3 2 2 2 2 2 2 2 3 2 2; 1HNMR: 97 97 s 1H | 86 86 dd 1H J 14 77 | 76 75 dd 1H J 42 86 | 74 73 ddd 1H J 13 86 231 | 25 25 s 2H | 19 19 p 1H J 55 | 11 10 m 2H | 10 10 s 8H | 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)NC1=NC2(c3cc(NC(=O)c4ccc(Cl)cn4)ccc3Cl)CC2CCS1
ir: 3 2 4 3 3 2 4 2 5 2 1 2 3 3 3 3 3 1 2 1 3 8 10 6 2 4 6 8 5 3 4 3 12 3 4 15 9 4 4 2 3 3 5 11 7 5 2 2 4 3 2 0 3 3 22 6 2 0 1 2 1 0 2 2 1 1 2 1 2 7 5 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 1 6 1 1 6 1 1 1 1 3 2 1 3 4 1 1 2 3 1 2 3 3 4 3 0 1 1 1 1 1 2 1 8 5 1 1 2 2 1 0 3 4 5 20 27 12 2 3 26 7 1 1 3 3 0 2 18 2 1 2 7 19 36 31 12 5 4 3 8 3 1 2 2 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 6 3 7 3 10 4 28 4 3 3 3 1 1 1 1 1 0 1 0 1 2 1 0 1 1 3 2 4 14 100 26 12 4 6 2 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: 94 94 s 1H | 87 87 d 1H J 19 | 80 79 d 1H J 83 | 77 77 dd 1H J 19 83 | 76 76 d 1H J 21 | 76 75 dd 1H J 20 73 | 75 74 m 2H | 31 30 dt 1H J 41 134 | 30 29 dt 1H J 41 134 | 25 24 t 1H J 67 | 24 23 tt 1H J 54 64 | 22 22 t 1H J 66 | 21 20 m 1H | 18 17 ddt 1H J 42 53 125 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2c3c(c(O)c(C(=O)O)c2=O)Cc2cc4c(cc2-3)cc(C=O)n4C)c(OC)c1
ir: 3 5 4 2 1 3 3 3 3 3 6 4 3 4 16 15 51 28 3 24 5 25 55 30 52 8 9 14 8 5 7 10 8 10 4 3 5 2 4 3 2 2 4 5 10 1 2 3 4 3 6 48 50 1 11 11 4 4 5 6 9 3 3 16 3 1 9 17 10 7 7 4 8 14 11 12 7 13 5 13 32 8 17 4 4 4 4 5 4 6 26 19 2 3 3 7 14 16 25 10 7 8 4 5 5 4 10 3 6 6 4 2 3 4 2 2 2 3 2 2 2 2 2 2 4 4 2 3 4 7 2 2 2 2 3 3 8 5 3 2 2 2 11 2 3 21 4 2 8 3 4 40 4 37 18 9 4 1 2 3 9 100 12 0 1 4 2 0 1 3 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 2 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 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 2 4 2 1 1 2 2 2 2 2 2 2 2 2 3 11 2 12 30 21 10 6 12 48 13 6 5 19 37 3 4 3 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 s 1H | 79 79 d 1H J 23 | 74 73 d 1H J 22 | 73 73 t 1H J 9 | 72 71 dt 1H J 9 86 | 66 65 dd 1H J 23 87 | 65 64 d 1H J 22 | 52 52 d 2H J 7 | 40 40 d 2H J 7 | 38 38 d 7H J 40 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Oc2ccnc(Oc3cccc(Cl)c3C)n2)c(C)cc1N
ir: 8 8 11 12 9 12 3 3 6 4 7 2 3 2 1 2 4 1 3 5 3 3 3 8 7 4 1 6 3 3 3 6 3 2 8 45 61 40 15 5 5 2 3 3 7 10 18 38 9 8 3 1 2 1 3 2 2 1 2 2 1 2 5 3 4 4 8 8 5 8 9 10 6 13 10 5 5 5 4 3 3 4 7 18 7 2 2 2 1 1 3 7 4 2 4 13 1 1 2 2 1 8 3 3 1 1 2 2 2 3 7 4 0 2 3 1 0 3 5 2 3 11 11 3 3 1 2 1 0 2 2 1 2 6 19 39 14 6 11 18 6 3 8 31 7 12 9 9 42 67 3 7 7 8 20 67 99 45 41 11 7 2 2 25 4 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 3 1 2 4 4 5 7 8 8 22 36 6 7 8 3 3 2 1 1 1 1 1 1 1 2 1 2 13 8 2 1 1 1 0 1 2 1 3 11 84 100 18 6 6 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 83 83 d 1H J 49 | 74 74 d 1H J 7 | 72 72 t 1H J 81 | 71 70 dd 1H J 12 81 | 69 69 dd 1H J 12 81 | 65 65 s 1H | 62 62 d 1H J 48 | 39 39 s 2H | 22 22 d 6H J 71 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
ir: 4 7 5 4 4 4 8 2 0 3 3 6 11 4 5 12 4 2 2 2 1 6 3 2 1 2 3 1 1 2 3 2 3 5 9 3 2 3 3 9 5 4 3 3 2 3 3 4 12 5 3 3 10 13 19 7 6 3 4 2 2 4 10 4 3 3 3 1 3 2 3 2 2 4 3 3 5 9 7 11 22 37 11 16 24 29 18 35 27 13 8 5 6 10 5 5 3 8 11 15 10 4 1 2 3 2 3 3 2 3 3 7 8 4 7 15 8 26 21 15 10 8 11 8 8 5 5 15 7 3 1 2 2 2 1 2 2 2 1 2 10 7 3 6 7 16 30 11 7 16 6 5 8 3 3 8 5 31 7 2 4 8 13 3 2 0 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 2 2 2 2 3 3 2 2 5 8 11 30 44 16 7 4 2 4 2 1 2 2 2 1 2 2 2 1 4 9 100 13 7 12 24 28 19 24 12 6 5 4 2 1 2 3 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 91 90 t 1H J 58 | 80 79 dq 1H J 10 71 | 79 79 t 1H J 22 | 78 78 m 2H | 75 74 m 3H | 74 73 m 2H | 72 72 s 2H | 69 69 dq 1H J 15 71 | 46 45 dt 2H J 9 58 | 24 24 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C(=O)OCCOC(=O)c2cn(C)nc2C(F)F)c(C(F)F)n1
ir: 4 7 5 3 6 10 5 1 2 3 3 11 2 12 7 11 6 10 8 5 3 2 2 3 2 5 4 1 12 7 14 79 31 32 8 12 4 2 2 3 1 1 4 11 6 2 12 6 3 1 2 3 4 2 2 2 3 4 7 4 2 11 9 3 5 9 8 26 12 2 8 11 11 19 7 6 9 3 5 9 10 5 3 2 1 1 2 2 0 1 2 2 7 8 18 29 39 6 2 1 2 1 2 2 1 1 2 2 0 2 2 4 1 12 9 14 7 7 12 10 15 4 1 5 6 15 7 17 13 5 1 1 2 2 2 4 1 2 2 2 7 19 6 40 10 11 100 7 2 3 5 43 2 3 1 1 3 2 5 4 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 3 1 1 1 3 2 3 3 3 4 3 3 4 4 9 4 4 2 2 1 25 6 12 4 2 2 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 79 78 s 2H | 74 74 s 0H | 73 73 s 1H | 72 72 s 0H | 46 46 s 3H | 39 38 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc([C@H]2CCC(=O)C2)cc1
ir: 13 9 2 7 12 11 3 22 13 8 12 17 11 5 3 7 11 7 10 15 8 4 1 7 8 2 2 7 7 2 2 7 6 2 4 8 6 1 2 7 8 6 5 9 6 2 8 14 6 2 5 9 7 8 22 100 29 29 25 17 12 14 20 18 11 7 9 12 9 17 15 14 7 6 9 9 5 5 11 11 9 2 7 8 4 5 14 14 3 8 22 19 15 47 41 18 9 7 14 11 2 8 13 9 3 5 9 5 1 6 13 15 15 20 15 7 3 9 11 10 4 26 9 18 10 9 11 6 4 7 7 5 5 7 9 4 2 7 9 4 3 8 10 13 86 69 15 8 12 17 59 44 14 17 13 5 4 8 6 1 3 7 6 11 9 8 5 0 4 9 4 0 4 8 4 0 4 7 4 1 5 7 3 1 5 7 3 1 5 7 3 1 5 6 2 2 6 6 2 2 6 6 2 2 6 5 2 2 6 5 1 3 7 5 1 3 7 5 1 4 7 5 1 4 8 4 0 4 8 4 1 4 7 4 1 4 7 4 1 5 7 3 1 5 6 3 2 5 6 3 2 5 6 2 2 5 6 3 3 6 6 2 3 7 5 2 3 7 6 2 4 7 5 2 6 14 24 9 7 8 7 10 8 14 39 34 25 36 43 7 7 10 8 3 6 8 4 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 6 3 1 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 1 4 6 4 1; 1HNMR: 70 70 m 2H | 67 67 m 2H | 34 33 m 1H | 29 29 s 5H | 28 27 m 1H | 27 26 dddd 1H J 18 52 71 143 | 25 24 m 2H | 22 21 dddd 1H J 43 53 70 134 | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@H]1NC(=O)N(c2ccc(Oc3cccc4onc(C(C)C)c34)nc2)C1=O
ir: 5 6 8 9 7 26 16 12 3 8 17 8 9 6 9 3 4 4 7 2 1 4 11 4 3 5 6 1 5 3 5 2 4 8 7 25 15 31 6 9 3 8 8 14 59 33 12 10 17 26 7 4 4 12 12 9 12 7 2 8 4 5 2 0 4 5 4 1 4 12 9 5 6 7 11 3 4 4 2 1 3 4 2 4 5 3 2 2 8 9 5 3 6 4 4 2 4 4 13 4 5 4 2 8 6 6 10 25 43 15 10 10 5 5 4 12 14 10 9 11 6 5 2 6 6 11 5 3 5 3 4 4 23 8 5 6 12 22 13 13 34 12 9 6 5 1 2 14 23 100 79 44 10 11 3 8 8 45 91 68 15 4 5 3 3 1 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 4 3 1 2 6 3 1 2 4 5 7 6 10 7 5 16 16 13 89 26 13 7 6 4 4 2 2 3 4 2 2 3 3 3 3 3 5 2 4 6 14 16 15 23 18 5 2 6 6 5 4 3 2 1 2 3 3 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 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 84 84 d 1H J 19 | 79 78 dd 1H J 19 83 | 75 75 m 1H | 75 74 d 1H J 62 | 74 73 m 2H | 68 68 d 1H J 83 | 43 42 tdt 1H J 15 49 64 | 33 32 hept 1H J 65 | 20 19 m 1H | 18 17 dqd 1H J 49 75 132 | 14 13 d 5H J 65 | 10 9 td 3H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CCOc1cc(Nc2ncccn2)ccc1C
ir: 1 1 1 1 4 2 1 1 2 3 2 8 11 16 18 6 2 4 3 4 6 4 8 3 5 9 7 1 2 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 5 8 7 38 21 19 7 5 5 2 4 15 23 17 31 21 5 2 3 2 4 4 7 6 5 4 3 2 2 3 1 1 1 1 1 1 1 1 2 3 3 12 5 3 3 3 5 8 2 1 2 2 2 3 29 1 1 1 1 1 1 1 1 1 3 2 8 5 2 2 4 2 1 1 5 3 7 1 1 1 1 1 2 1 2 4 2 4 4 30 8 8 3 5 19 22 11 7 8 11 65 73 52 12 6 3 3 1 1 4 3 64 11 2 0 1 1 1 1 1 1 1 1 1 1 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 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 2 4 2 3 5 4 13 19 12 36 6 3 2 3 1 1 1 1 1 1 1 1 1 1 1 2 2 1 0 3 6 8 12 25 100 68 20 4 2 3 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 87 87 s 1H | 85 84 d 2H J 44 | 73 72 dd 1H J 22 77 | 71 71 dq 1H J 10 78 | 67 67 d 1H J 21 | 67 66 t 1H J 43 | 54 53 dtq 1H J 16 33 50 | 46 45 ddq 2H J 11 20 50 | 22 22 d 3H J 11 | 18 17 dh 3H J 12 24 | 17 17 hept 3H J 12
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1sc2nc(SC)nc(Cl)c2c1N
ir: 1 1 1 1 1 2 3 2 1 3 2 8 9 4 1 1 1 2 2 7 9 2 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 3 2 30 20 1 2 1 1 1 1 1 1 1 0 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 2 2 1 1 1 1 1 1 6 2 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 3 3 1 2 8 2 1 1 1 1 2 1 0 1 4 1 7 1 1 0 0 4 1 0 0 1 22 1 1 1 1 0 0 3 1 46 1 0 1 2 27 1 1 2 5 34 26 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 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 8 1 1 1 1 1 1 2 1 1 1 1 1 1 0 0 1 1 1 1 1 3 13 1 1 1 0 0 1 1 0 1 2 4 100 7 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 67 67 s 2H | 43 43 q 2H J 64 | 26 26 s 3H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCC(=O)N1c2ccccc2NC(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1C
ir: 2 3 2 2 1 3 1 2 4 4 5 7 8 17 14 2 3 2 2 5 2 3 9 2 3 2 2 4 2 4 3 3 4 5 3 3 9 30 7 11 4 3 1 14 9 4 3 2 1 2 2 1 1 1 1 1 1 2 1 0 1 2 2 1 1 3 5 1 1 2 2 1 1 3 1 2 2 1 2 1 1 1 1 1 2 2 2 2 1 1 1 1 1 2 1 2 1 2 1 1 2 1 3 2 2 2 1 1 1 2 1 1 3 3 3 2 3 4 3 3 1 6 7 9 7 5 8 9 4 9 11 15 6 7 5 2 2 3 3 2 2 1 2 5 6 14 100 40 7 1 3 17 14 17 1 4 5 1 1 1 1 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 2 2 1 1 2 0 2 1 2 3 3 2 3 10 7 9 8 10 7 3 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 2 1 2 2 4 4 34 29 7 4 3 1 1 1 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 s 1H | 80 80 d 1H J 97 | 74 73 dd 1H J 16 78 | 73 72 m 2H | 72 71 dd 1H J 15 83 | 50 49 dd 1H J 64 97 | 46 45 m 2H | 38 37 t 2H J 61 | 33 33 s 3H | 29 29 d 3H J 14 | 27 26 q 2H J 62 | 15 14 s 8H | 14 13 d 3H J 79 | 13 13 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC(C(=O)OCC)n1ccc2cc(-c3ccccc3C#N)ccc21
ir: 11 6 2 8 6 3 1 5 6 7 1 1 3 2 5 4 3 4 1 3 1 1 3 1 2 46 3 9 8 39 31 12 48 24 4 7 21 18 4 6 22 91 10 50 60 3 4 2 1 2 3 3 2 7 42 4 1 3 5 2 2 0 2 4 3 3 4 11 17 18 6 7 11 39 26 16 12 20 5 2 1 0 2 6 0 1 2 1 1 3 5 3 2 2 2 2 1 4 2 6 3 3 5 22 20 23 8 16 21 15 12 8 7 10 8 5 11 8 14 10 11 21 10 4 3 3 3 6 22 4 2 3 3 2 0 2 37 19 5 60 9 9 6 3 9 69 17 32 6 8 17 8 13 4 17 9 3 6 1 0 0 1 1 0 4 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 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 1 1 1 1 1 1 1 2 1 6 5 4 6 6 8 4 3 2 4 7 3 9 18 35 31 20 96 100 36 19 61 16 5 3 2 2 2 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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: 79 79 t 1H J 21 | 79 78 dd 1H J 21 72 | 78 77 dd 1H J 15 63 | 77 77 dd 1H J 14 76 | 76 76 d 1H J 71 | 76 75 td 1H J 15 75 | 75 75 ddd 1H J 14 63 74 | 73 72 dd 1H J 8 52 | 67 66 dd 1H J 23 53 | 48 47 m 1H | 43 41 m 2H | 21 20 dtd 1H J 55 71 127 | 19 18 dtd 1H J 55 72 127 | 16 15 m 1H | 14 12 m 11H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)CCOC(=O)Nc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1
ir: 5 9 20 8 6 10 4 4 4 4 3 4 4 27 8 12 3 4 6 9 23 5 3 3 3 8 8 3 3 9 28 11 4 35 17 13 5 4 6 4 8 7 16 4 66 42 10 5 6 6 4 3 4 10 83 3 5 10 5 13 4 6 4 5 5 6 14 11 14 41 8 15 19 23 10 10 12 13 4 6 4 4 5 4 3 7 7 54 19 16 2 3 4 3 3 3 4 6 2 18 21 21 21 26 33 37 8 14 7 4 3 3 6 5 48 5 6 6 11 15 23 16 6 8 6 3 2 4 5 12 4 6 6 3 7 15 6 6 3 5 10 67 10 17 14 8 6 6 87 15 23 19 8 32 13 5 8 8 5 12 6 0 12 4 7 27 34 5 4 2 4 3 3 2 3 4 2 2 3 3 3 2 3 3 2 2 3 3 3 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 3 3 2 2 3 3 2 2 3 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 3 3 3 3 3 2 4 4 3 5 5 5 8 3 7 3 2 4 8 10 25 92 21 21 31 61 29 60 3 5 4 5 3 4 6 3 3 4 4 3 4 4 6 5 6 4 5 20 45 100 11 6 6 5 4 2 3 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 87 87 s 1H | 79 78 d 1H J 24 | 76 76 d 1H J 82 | 76 74 m 6H | 74 74 m 1H | 65 64 s 1H | 46 45 t 2H J 84 | 35 34 t 2H J 84 | 31 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CN1C(=O)NC2(C(=O)Nc3ccccc32)C1=O
ir: 1 1 3 5 4 20 25 10 12 7 13 9 12 16 6 7 25 16 13 12 41 39 20 10 14 12 6 2 2 5 5 4 3 15 31 14 8 4 13 53 39 7 17 11 5 7 4 5 7 8 6 4 3 2 2 3 2 2 2 1 1 1 1 2 1 1 1 1 1 3 3 2 3 4 4 5 4 10 15 26 15 3 3 6 3 4 3 3 2 2 2 1 1 1 9 10 1 1 1 1 2 2 2 4 4 2 1 1 1 1 1 1 2 2 3 6 5 21 18 8 6 6 22 25 12 1 1 18 22 3 2 4 16 10 3 3 2 2 6 2 2 3 5 5 7 4 8 3 4 10 11 7 4 2 8 24 9 7 100 33 55 7 2 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 4 4 20 6 1 2 1 1 1 1 1 4 6 2 2 2 2 1 0 1 1 1 2 3 7 16 44 30 6 6 5 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 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; 1HNMR: 100 100 s 1H | 95 95 s 1H | 76 76 dd 1H J 16 81 | 74 73 ddd 1H J 14 73 83 | 72 72 td 1H J 13 72 | 71 70 dd 1H J 15 72 | 69 69 s 1H | 46 45 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=S)(CCCNS(=O)CNC(=O)ON=C(C)SC)OCC
ir: 8 3 3 8 14 8 4 4 2 2 4 2 8 11 9 19 8 1 1 2 2 1 3 4 10 65 25 19 9 5 3 8 10 4 13 33 22 34 12 9 21 14 19 8 12 14 27 18 41 9 4 3 13 17 9 3 10 2 7 43 21 4 2 4 2 2 8 20 16 2 9 5 3 14 11 15 19 72 3 3 1 0 2 2 1 1 1 1 0 0 1 1 2 2 6 2 1 1 3 3 0 1 1 1 1 3 5 3 21 22 11 18 67 27 23 14 6 37 21 26 11 15 16 7 10 8 5 9 23 5 6 3 3 7 5 4 3 3 4 37 5 5 42 45 7 3 3 2 0 35 3 3 2 1 1 0 1 1 2 3 1 1 1 1 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 2 1 2 2 3 2 2 3 5 7 13 7 7 4 3 2 3 24 35 36 10 3 1 5 1 2 2 1 1 2 2 2 1 1 1 2 2 2 4 7 11 28 100 11 15 10 85 36 3 2 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 76 76 t 1H J 60 | 43 41 m 6H | 35 35 t 1H J 47 | 32 31 td 2H J 47 62 | 25 24 s 2H | 23 23 s 2H | 21 20 tt 2H J 62 73 | 14 13 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1c(OCc2ccccc2C(=O)O)ccc(C(C)=O)c1O
ir: 2 1 1 1 1 3 2 3 4 5 7 4 4 1 5 6 6 6 11 5 9 28 49 43 20 7 2 4 7 5 19 14 9 16 24 19 13 2 4 3 3 10 86 98 22 0 2 3 2 0 1 2 1 2 3 5 5 2 3 3 1 0 1 2 2 1 3 8 2 5 5 2 1 2 4 23 54 41 5 20 24 16 4 5 3 1 2 3 2 3 7 11 32 10 26 3 1 2 2 3 3 2 2 2 1 7 19 20 8 16 17 4 1 1 2 3 1 2 6 4 4 6 5 5 5 8 4 1 0 1 1 1 1 1 2 2 5 27 10 5 2 4 15 10 6 5 6 10 11 6 3 8 4 2 2 23 13 2 2 2 3 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 0 0 0 1 1 1 1 1 1 3 1 1 1 2 2 2 3 10 9 8 13 49 21 15 100 62 40 4 1 1 4 24 13 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 1H J 16 81 | 77 76 d 1H J 82 | 76 75 m 1H | 74 74 ddt 1H J 8 18 79 | 74 73 ddd 1H J 17 72 81 | 66 66 d 1H J 82 | 53 53 d 2H J 9 | 29 28 t 2H J 64 | 26 26 s 3H | 17 16 qt 2H J 64 74 | 11 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CN[C@H](C)c2ccc(F)cc2)cc1
ir: 15 18 13 7 8 7 3 12 9 7 3 9 2 36 20 23 22 6 3 3 3 3 2 3 3 12 9 4 7 9 10 37 8 15 10 4 6 7 6 4 4 8 17 8 29 12 21 10 10 9 12 9 15 79 81 42 37 35 35 23 5 4 5 7 3 1 6 5 7 8 22 6 8 0 5 11 4 4 15 16 3 1 3 3 1 1 4 24 6 1 3 10 1 2 6 14 9 4 5 20 11 4 2 3 10 50 68 18 4 12 14 24 4 28 17 61 22 11 15 8 3 13 7 12 13 22 24 9 18 15 9 13 19 28 77 14 2 4 4 2 4 9 16 50 19 11 13 28 11 18 7 26 12 4 4 3 3 4 2 2 2 5 4 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 3 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 3 1 2 3 2 1 1 3 3 3 3 3 2 1 3 4 3 1 3 5 4 2 4 6 13 15 55 76 27 13 16 3 6 4 4 5 4 2 3 3 2 2 5 5 3 8 17 100 54 11 4 5 7 4 3 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 2 2 2 1 2 2 2 1; 1HNMR: 80 79 m 2H | 74 73 dq 2H J 9 81 | 73 72 m 2H | 70 70 m 2H | 44 43 ddt 1H J 54 60 69 | 41 40 ddt 1H J 9 58 138 | 39 38 m 1H | 39 39 s 3H | 26 25 dt 1H J 59 70 | 15 15 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H](CO)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
ir: 6 8 10 7 4 7 4 10 8 9 6 3 6 8 17 12 7 7 12 13 6 8 9 7 11 3 9 23 58 38 28 8 5 9 5 9 5 5 13 25 45 10 2 3 2 1 5 3 2 2 3 2 2 1 3 4 3 2 2 4 2 1 4 3 2 5 11 7 5 2 4 3 4 3 5 5 3 5 10 8 4 6 3 6 5 3 10 21 29 24 38 12 8 23 26 57 20 12 8 8 3 2 6 4 2 7 5 5 2 4 4 10 3 14 4 5 5 4 9 8 7 10 8 4 3 5 6 3 1 2 2 2 1 5 10 11 7 3 3 1 2 7 4 12 19 10 9 6 4 23 3 4 2 2 2 1 1 2 1 1 1 3 2 2 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 1 1 1 2 1 1 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 2 2 2 2 3 2 2 2 3 4 2 3 6 5 3 4 7 6 14 12 8 13 11 10 13 12 17 11 10 39 21 46 100 78 22 11 3 5 3 2 3 2 1 3 4 3 3 7 27 22 13 5 3 3 2 2 3 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 74 73 m 5H | 56 55 d 1H J 88 | 51 51 s 2H | 39 38 qd 1H J 50 73 | 37 36 m 2H | 35 34 ddd 1H J 49 58 110 | 31 31 d 1H J 49 | 19 18 t 1H J 49 | 18 17 m 3H | 17 16 m 1H | 17 15 m 1H | 16 15 m 2H | 15 15 m 1H | 15 14 m 4H | 14 14 m 1H | 14 13 m 1H | 14 13 m 1H | 13 13 m 1H | 12 11 ddt 2H J 59 86 130 | 9 8 ddd 6H J 16 60 246
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2cc(Nc3nc(Cl)nc(Cl)n3)ccn2)CC1
ir: 1 1 2 1 2 2 2 4 6 2 1 1 2 3 3 6 5 9 9 3 5 6 3 2 1 1 1 1 1 1 1 1 1 1 4 4 3 2 1 1 1 1 1 4 3 3 2 0 2 3 6 15 22 20 8 8 2 1 2 2 1 0 1 2 2 7 16 7 1 0 1 2 3 2 3 1 0 0 1 1 0 0 1 1 0 0 1 1 2 1 2 1 1 0 1 1 0 1 1 1 1 4 6 7 2 4 1 1 1 1 1 1 4 5 1 1 0 1 1 1 0 0 1 1 2 2 1 1 0 1 1 1 1 1 0 2 2 5 14 2 2 0 2 5 100 75 4 10 12 17 29 6 5 6 4 0 2 1 2 1 4 6 7 78 4 3 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 3 4 0 1 1 0 0 1 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 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 0 0 0 1 0 0 0 1 1 2 3 1 1 1 2 4 5 4 3 2 3 1 2 1 1 1 1 1 1 0 1 1 1 1 2 2 2 1 2 9 17 17 25 4 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 92 92 s 1H | 84 83 d 1H J 33 | 73 73 dd 1H J 22 33 | 71 70 d 1H J 22 | 20 19 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C(C#N)NS(=O)C(C)(C)C)COC1
ir: 0 0 0 1 1 1 0 0 0 0 0 0 0 0 1 0 0 2 1 0 0 1 1 1 1 2 1 2 2 1 1 0 1 2 3 3 2 3 8 8 3 1 1 1 1 1 1 1 4 7 1 1 1 1 1 1 1 1 0 2 1 4 1 1 1 3 4 2 9 1 5 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 2 0 0 1 1 0 0 1 1 0 0 0 1 1 1 2 2 1 2 8 13 3 4 14 4 4 2 1 0 1 1 1 2 1 1 1 0 1 1 0 1 2 5 3 3 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 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 1 1 1 0 0 0 0 0 2 0 0 0 1 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 100 6 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 44 43 dq 1H J 15 69 | 41 40 d 2H J 103 | 38 38 d 2H J 101 | 28 27 d 1H J 71 | 12 12 s 8H | 11 10 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1ccc(N)cc1C(F)(F)F
ir: 5 4 5 2 3 3 2 2 3 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 3 3 5 12 3 2 2 2 6 4 3 2 2 2 2 2 3 3 3 3 4 6 9 5 3 3 2 2 3 5 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 7 8 2 2 2 2 4 5 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 3 4 2 2 2 3 5 7 7 5 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 6 3 14 5 3 2 2 2 2 3 9 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 3 3 2 2 2 2 2 2 2 3 2 2 4 4 7 4 4 9 7 2 5 26 21 2 3 3 1 1 7 100 16 5 0 1 3 2 1 1 3 2 1 2 3 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; 1HNMR: 70 70 dt 1H J 9 79 | 70 70 dq 1H J 9 20 | 66 66 dd 1H J 22 79 | 50 50 s 2H | 40 39 td 2H J 9 60 | 17 16 t 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=C(N2CCCC(C(N)=O)C2)OCC1=O
ir: 5 1 2 3 3 3 5 5 7 4 7 3 5 5 5 8 5 8 9 2 27 8 3 7 2 3 9 4 3 5 6 5 19 21 8 19 8 5 5 4 6 16 5 4 2 2 3 3 2 3 10 3 2 1 2 2 2 3 3 2 3 2 7 1 16 3 2 7 2 1 3 2 2 1 2 2 7 2 6 5 5 4 3 1 1 2 2 14 3 3 2 2 1 4 1 2 1 2 6 5 4 2 1 2 4 4 3 3 5 3 2 38 2 5 5 2 4 2 3 3 2 2 5 5 5 3 7 3 2 2 2 2 1 2 3 2 3 1 2 1 1 2 8 3 33 1 2 2 2 2 24 12 5 0 1 6 5 100 66 8 3 7 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 4 3 2 2 2 3 4 1 16 4 2 2 1 0 1 1 1 1 1 1 1 0 1 2 1 1 2 5 4 9 1 1 2 1 1 1 1 2 1 2 3 12 14 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 64 63 s 2H | 48 47 s 2H | 43 43 q 2H J 71 | 39 39 dd 1H J 47 116 | 37 36 dd 1H J 46 115 | 36 35 ddd 2H J 11 46 58 | 26 26 tt 1H J 46 59 | 20 18 m 2H | 18 16 m 2H | 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.
O=S(c1ccccc1)c1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1Cl
ir: 2 2 1 1 1 1 1 5 2 3 1 1 2 3 1 1 1 3 2 1 1 1 2 1 1 1 1 2 2 6 4 3 2 1 2 5 17 4 2 35 44 3 2 1 3 2 7 18 2 2 1 1 2 6 8 66 6 5 1 1 1 2 1 2 2 42 4 7 5 8 4 1 1 1 1 1 1 3 4 3 2 1 3 5 2 1 2 1 1 3 2 2 0 1 1 2 1 1 9 100 4 1 0 1 1 1 0 1 1 1 0 1 2 11 16 3 5 2 1 3 1 4 2 2 2 1 0 1 1 2 15 1 1 1 7 3 1 1 1 2 2 17 22 14 3 2 2 2 7 2 2 15 5 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 5 4 4 2 40 33 22 6 3 4 1 6 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 12 8 3 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 96 95 q 1H J 26 | 78 77 m 2H | 76 76 m 2H | 76 75 m 2H | 75 74 m 1H | 74 74 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(-c2cc(=O)c3cc(O)ccc3[nH]2)c(F)c1
ir: 0 1 1 1 2 1 2 1 0 0 1 0 1 1 1 3 4 2 2 5 11 11 23 5 1 1 1 3 1 2 1 0 1 1 2 3 3 3 2 2 0 2 13 6 1 1 0 0 0 1 1 1 0 6 14 10 3 1 0 1 1 0 0 0 1 4 15 1 6 1 2 2 3 1 0 1 2 22 25 2 2 2 16 19 5 4 1 1 3 1 1 0 0 0 0 1 2 0 16 0 1 1 0 2 8 1 0 1 1 1 0 0 0 0 1 0 11 1 0 0 1 1 1 3 2 1 1 0 1 0 0 0 0 5 0 0 0 0 1 1 8 6 2 3 8 3 3 1 0 1 1 8 3 2 12 6 2 0 0 1 1 6 1 1 1 8 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 2 5 13 12 12 3 1 1 1 7 100 56 15 3 0 0 1 0 0 1 1 1 0 1 1 1 7 8 9 12 2 3 3 1 1 0 0 1 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 87 s 1H | 87 86 s 1H | 79 78 m 2H | 78 78 dd 1H J 49 81 | 75 75 d 1H J 30 | 73 73 d 1H J 87 | 69 68 dd 1H J 29 88 | 66 65 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Oc2cccc(N)c2)cc1
ir: 18 24 22 12 15 6 8 6 8 11 0 5 3 2 2 4 4 4 3 3 3 2 3 2 3 2 2 3 2 3 2 3 3 2 3 3 2 3 2 3 3 2 2 2 3 3 7 14 8 3 2 4 5 13 12 3 2 2 2 3 3 3 2 2 2 3 3 6 7 15 5 2 2 2 1 2 2 2 2 3 4 4 5 5 2 2 5 3 2 2 1 1 2 3 2 1 4 3 4 2 3 1 1 1 2 6 4 2 2 2 1 1 2 5 2 1 1 1 1 2 2 1 1 2 2 3 3 3 2 1 1 1 1 1 1 1 1 1 1 3 3 4 1 2 2 2 6 26 19 3 4 5 19 17 17 9 23 13 23 3 3 8 24 11 3 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 2 1 2 1 1 2 1 1 1 1 2 2 2 2 2 2 3 4 6 9 5 35 32 13 10 3 4 4 3 3 1 2 2 2 1 1 2 2 2 4 46 53 7 2 2 2 1 2 3 1 6 54 100 95 19 2 2 3 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 3 5 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; 1HNMR: 72 71 dq 2H J 7 76 | 71 70 t 1H J 80 | 69 69 m 2H | 63 63 ddd 1H J 11 20 77 | 63 62 ddd 1H J 12 21 81 | 62 62 t 1H J 21 | 40 39 s 2H | 23 23 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2cc(Nc3cc(C)[nH]n3)nc(O)c2cc1C(=O)N(C)C
ir: 3 2 2 2 3 2 2 2 3 3 5 4 5 3 2 2 2 3 5 2 4 2 3 2 2 3 3 9 7 18 6 5 4 2 5 3 3 2 2 2 3 2 2 3 3 3 9 11 11 13 5 3 2 1 2 2 2 2 2 2 2 4 5 3 2 2 2 2 2 2 3 5 5 8 5 3 3 3 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 3 5 6 7 2 2 2 4 2 2 2 1 1 2 2 2 2 2 2 3 3 2 8 3 2 3 6 3 3 2 2 2 2 5 4 3 2 2 3 3 3 2 2 4 3 13 4 3 3 6 3 4 2 2 2 5 17 3 2 2 4 0 100 0 2 3 2 1 1 2 4 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 2 2 3 3 3 16 7 5 2 2 2 2 2 2 2 3 13 2 2 2 2 2 2 3 2 2 2 4 4 6 9 8 6 6 4 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 85 85 s 1H | 76 76 d 1H J 23 | 72 72 s 1H | 72 71 d 1H J 23 | 58 58 s 1H | 39 39 s 3H | 30 30 s 6H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)c1ccc(CCl)cc1
ir: 4 4 4 6 4 4 4 4 5 4 3 4 4 3 3 4 5 4 2 13 22 64 8 4 6 10 22 7 5 4 5 4 4 3 16 12 4 5 5 3 4 5 7 5 4 6 5 5 4 4 4 4 4 3 5 12 26 15 9 2 4 6 6 0 26 2 3 4 4 5 7 4 4 4 3 3 4 4 3 3 3 3 3 4 4 4 6 21 16 5 3 4 4 4 4 4 9 24 7 4 5 3 4 4 4 5 6 7 55 70 1 6 5 4 3 4 5 4 3 5 10 6 6 6 6 16 2 5 5 3 3 5 5 5 5 6 6 32 59 6 4 3 3 4 4 3 4 4 15 22 26 6 5 10 3 4 4 3 4 4 4 3 6 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 4 6 5 4 3 4 8 6 6 17 34 53 100 8 7 8 13 9 6 5 6 4 4 4 4 4 3 4 4 3 4 5 3 3 4 3 3 4 4 3 4 3 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 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; 1HNMR: 80 80 m 2H | 75 75 dt 2H J 9 84 | 46 46 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1)N1CCNCC1
ir: 5 5 4 14 23 14 11 7 4 2 7 4 22 22 24 22 21 10 13 13 9 13 7 6 2 5 13 11 11 6 10 6 15 4 3 17 49 14 21 25 10 10 7 12 13 13 14 46 23 6 14 49 51 100 88 34 77 57 11 16 13 7 3 0 8 12 17 76 49 22 26 6 8 4 3 0 2 4 2 2 3 3 2 4 5 12 15 16 21 6 6 6 16 12 5 25 20 25 44 28 32 31 35 3 26 75 17 11 21 10 33 11 12 22 35 83 71 29 10 6 7 6 12 10 18 12 8 19 24 26 41 29 7 8 5 7 29 32 20 12 4 2 2 4 10 6 6 48 11 28 63 16 76 8 6 11 31 11 8 5 6 4 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 1 2 2 2 1 2 9 19 8 36 97 100 43 21 4 5 5 2 0 1 2 2 2 3 5 2 4 3 5 51 59 9 5 3 1 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 83 83 dd 1H J 21 84 | 81 80 m 2H | 80 80 d 1H J 84 | 77 76 dq 1H J 21 72 | 73 72 m 2H | 72 72 dd 1H J 24 82 | 37 36 m 4H | 30 30 m 4H | 24 23 p 1H J 34
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(C#N)c2n(c1-c1cccnc1)CCCC2
ir: 27 14 6 16 29 13 0 14 26 19 2 15 24 12 1 20 32 7 6 24 22 10 9 23 21 8 8 21 19 17 39 52 52 65 13 24 21 6 38 29 29 7 11 23 16 4 9 24 14 0 12 26 19 30 19 28 20 7 19 55 13 1 40 34 20 5 18 29 86 54 32 22 10 3 17 24 17 25 34 26 9 5 18 21 8 6 19 18 5 6 19 17 4 8 20 16 4 12 22 15 2 9 23 15 1 10 23 15 1 21 35 55 87 19 29 16 9 20 30 18 21 35 28 18 5 17 21 12 5 16 22 10 7 17 21 9 7 33 34 13 7 22 23 7 8 19 18 6 9 25 26 18 21 74 61 6 9 21 15 4 16 40 19 3 10 22 13 2 12 22 12 1 12 22 11 2 13 21 11 3 14 22 97 16 15 21 9 3 15 20 8 5 16 18 7 6 16 18 7 6 17 17 7 8 18 16 5 8 18 15 5 9 19 14 4 10 20 14 3 10 21 13 3 11 21 12 2 12 22 12 2 12 21 11 3 13 20 10 4 14 20 10 4 14 19 9 5 15 18 8 6 16 17 8 7 16 17 7 7 17 16 7 9 18 16 6 9 19 15 6 10 19 18 6 14 22 19 7 14 22 16 9 19 33 28 15 30 100 77 23 20 26 13 6 17 20 11 6 14 18 10 6 15 18 9 6 15 17 8 7 16 16 8 8 16 16 7 8 17 15 7 9 17 15 6 9 18 14 6 10 18 13 5 10 19 13 5 11 19 12 4 12 20 12 4 12 19 11 5 13 19 10 5 13 18 10 6 14 17 9 6 14 17 9 7 15 16 8 8 15 16 8 8 16 15 7 9 16 15 7 9 17 14 6 10 17 13 6 10 18 13 5 11 18 12 5 11 19 12 5; 1HNMR: 87 86 m 2H | 80 79 dt 1H J 17 68 | 75 74 dd 1H J 48 69 | 39 38 m 2H | 27 27 m 2H | 23 22 s 2H | 18 17 tq 4H J 19 38
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(Cn1cnc(Cl)c1Cl)c1ccc(Cl)cc1Cl
ir: 3 2 3 4 5 10 6 3 4 2 2 5 2 1 1 1 1 6 35 17 1 1 1 1 1 1 1 1 1 1 1 1 1 4 26 5 4 3 16 14 26 34 28 6 1 3 2 2 2 2 3 1 2 4 9 19 5 6 3 20 11 8 3 2 1 2 7 35 5 6 3 2 3 3 2 4 1 2 3 2 1 4 7 4 9 4 1 1 3 4 18 6 6 9 17 36 26 24 24 26 24 10 28 52 81 28 10 8 40 27 17 14 7 21 5 6 4 10 4 43 70 36 15 6 4 3 4 3 7 6 5 5 3 2 3 1 2 1 2 1 2 5 7 13 5 2 2 2 14 7 2 6 5 2 1 1 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 9 8 6 3 2 16 13 5 13 14 25 15 12 20 79 37 23 30 61 100 24 15 10 3 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 t 1H J 8 | 74 74 d 1H J 20 | 73 72 dd 1H J 21 88 | 72 72 dd 1H J 7 86 | 44 43 ddd 1H J 8 64 143 | 42 41 ddd 1H J 8 64 143 | 33 32 m 1H | 20 19 dtd 1H J 68 78 128 | 17 16 dtd 1H J 69 78 128 | 15 12 m 4H | 9 8 t 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c3c(nn2c(C)c1Cl)CN(C(=O)c1ccc(F)cc1OCC(C)N(C)C)C3
ir: 7 5 4 4 30 11 18 6 8 13 20 8 74 21 2 6 9 7 2 4 3 3 14 3 5 66 7 6 4 37 2 5 3 29 42 59 9 9 15 22 16 17 7 3 4 2 3 2 3 1 2 3 4 11 48 11 5 4 16 10 7 6 5 2 9 9 7 85 9 9 17 5 5 6 6 4 4 3 6 28 11 8 4 4 3 1 10 7 25 18 15 12 24 24 7 11 7 2 0 3 1 1 3 7 1 5 4 2 12 20 15 12 29 4 4 6 2 9 14 10 10 4 7 10 7 13 8 8 24 16 9 48 94 21 9 3 3 2 7 11 7 22 3 30 3 6 10 1 11 17 69 21 28 75 4 10 14 10 2 4 2 57 58 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 3 12 5 2 2 3 8 5 4 3 1 5 5 12 11 52 36 36 100 34 11 3 4 4 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 78 77 dd 1H J 49 86 | 71 70 ddd 1H J 22 86 106 | 68 68 dd 1H J 22 122 | 50 50 s 2H | 49 48 d 1H J 135 | 48 48 d 1H J 137 | 42 42 dd 1H J 60 104 | 40 39 dd 1H J 60 104 | 31 31 dddd 1H J 17 32 64 128 | 26 26 s 3H | 25 25 s 3H | 23 23 d 6H J 14 | 12 11 d 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1c2ccccc2[C@H](Nc2ccc(C#N)cc2)[C@@H](C)[C@@H]1C1CC1
ir: 2 2 1 2 12 13 3 2 1 1 13 12 4 1 1 3 3 2 3 2 1 3 2 7 1 4 1 2 3 2 1 2 1 1 1 1 2 6 4 1 1 2 4 11 4 1 1 2 1 1 1 2 1 0 4 20 24 10 2 1 3 4 1 0 2 3 1 1 1 4 2 2 1 2 6 2 3 3 5 3 1 1 0 1 1 1 1 3 4 2 1 1 1 1 0 0 1 1 4 2 5 2 2 2 2 8 2 1 1 4 2 1 1 2 2 2 2 2 1 1 2 2 1 1 2 1 3 3 1 4 7 2 3 1 1 1 2 5 11 5 4 1 0 1 2 1 3 17 100 14 11 5 5 5 2 2 1 0 0 1 2 1 5 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 2 12 3 3 3 2 10 16 23 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 2 6 13 30 23 2 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 75 m 2H | 74 74 m 1H | 73 73 dd 1H J 16 80 | 73 72 td 1H J 14 79 | 72 71 ddd 1H J 16 77 86 | 69 69 m 2H | 52 51 d 1H J 90 | 50 50 m 1H | 42 41 ddd 1H J 26 66 82 | 23 23 s 2H | 23 22 h 1H J 78 | 20 19 dp 1H J 57 66 | 13 12 m 2H | 11 10 m 2H | 10 10 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
ir: 5 2 3 2 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 2 2 1 2 1 2 3 1 4 6 6 5 8 1 2 1 2 2 4 12 2 1 1 3 2 2 2 1 3 0 0 0 0 1 1 1 1 1 0 1 1 1 2 2 1 4 2 5 5 4 1 1 1 2 2 2 3 1 1 3 3 1 1 1 2 5 12 2 5 1 1 1 1 1 1 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 3 3 4 2 2 2 1 2 2 3 2 3 1 1 1 19 1 1 0 1 1 2 5 40 14 11 3 4 1 16 3 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 1 1 0 0 0 1 1 1 1 1 1 2 2 2 5 4 3 26 11 3 1 2 1 1 7 100 7 2 0 0 1 1 0 0 1 1 0 0 1 1 4 8 5 9 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 11H | 54 54 t 1H J 69 | 48 48 dt 1H J 8 118 | 47 47 m 1H | 47 46 m 1H | 46 46 m 1H | 44 43 m 1H | 42 41 tq 1H J 16 61 | 41 40 tq 1H J 17 66 | 40 39 m 1H | 39 38 dddd 1H J 17 44 60 120 | 37 37 t 1H J 59 | 37 35 m 2H | 34 34 dddd 1H J 18 41 70 135 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.