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CCOC(=O)CC(c1ccc(Cl)cc1C)c1c[nH]c2c(CSC)cccc12
ir: 2 1 2 2 4 4 3 2 0 5 8 3 2 2 3 5 2 12 3 3 2 4 5 3 5 5 6 9 43 8 3 2 2 4 5 1 22 3 4 15 32 9 6 2 6 4 1 2 17 16 3 1 2 1 11 26 6 4 4 0 1 1 2 3 4 7 3 3 3 3 6 6 6 4 3 19 1 1 1 2 1 2 2 1 3 2 7 4 1 1 2 2 7 2 5 4 5 20 19 16 39 17 10 7 5 10 2 3 4 3 5 3 5 6 16 9 11 10 5 6 6 12 13 8 4 8 4 5 10 7 3 13 4 7 3 5 2 1 0 3 9 9 63 28 100 12 6 2 1 6 2 5 5 36 3 2 2 6 6 5 1 1 0 1 1 0 0 1 1 0 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 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 3 1 1 1 3 2 1 1 2 4 3 4 3 6 0 5 7 5 25 33 19 26 90 50 14 22 23 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 13 14 20 25 8 4 2 2 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 84 d 1H J 73 | 78 77 dd 1H J 16 81 | 73 71 m 6H | 51 50 m 1H | 42 41 q 2H J 65 | 40 40 d 2H J 7 | 32 31 dd 1H J 77 167 | 30 29 dd 1H J 79 167 | 24 23 s 3H | 21 21 s 3H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=NO)c1cc(-c2cccc(OC(F)(F)F)c2)ccn1
ir: 8 7 16 24 13 16 13 10 15 11 6 14 16 25 40 21 27 17 16 17 10 10 11 5 9 8 7 8 6 5 12 9 2 3 15 15 7 6 4 5 2 3 4 6 5 11 10 5 12 3 3 4 2 1 2 2 4 2 2 2 2 3 6 11 7 4 15 27 12 2 3 5 1 10 4 38 9 6 7 8 6 8 11 5 1 5 8 41 8 4 2 2 1 6 2 3 3 9 35 82 17 24 7 2 3 3 0 1 3 3 1 1 2 1 0 1 5 2 3 2 2 3 1 1 2 1 0 2 3 5 6 6 15 39 4 1 1 2 2 4 34 6 3 4 6 50 3 7 11 51 6 10 15 34 26 18 2 5 3 18 3 5 2 4 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 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 2 1 2 2 1 2 1 3 7 9 27 17 6 4 2 3 0 5 57 16 4 1 0 1 2 1 1 2 6 41 2 1 1 1 1 0 1 1 2 0 5 100 11 4 2 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 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; 1HNMR: 88 88 d 1H J 47 | 77 77 d 1H J 22 | 74 73 m 5H | 72 72 m 1H | 53 53 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O[C@@H]1CCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1
ir: 10 11 11 4 11 8 14 16 16 16 10 7 4 6 6 4 2 3 3 2 2 4 6 4 4 2 3 5 3 8 7 10 9 8 5 4 6 11 11 21 100 27 11 7 6 12 5 3 2 4 4 0 2 5 3 2 4 11 4 0 5 4 2 4 9 6 5 7 10 2 3 3 8 10 5 4 14 8 1 3 5 7 6 7 19 20 11 14 11 18 14 6 10 12 14 8 6 9 5 4 10 4 2 2 4 3 1 2 3 3 1 2 4 4 4 6 5 4 1 2 5 3 3 4 5 3 3 3 4 3 2 6 15 8 20 20 14 4 2 3 2 2 12 30 7 4 4 3 2 1 1 6 6 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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 4 2 1 3 4 3 6 12 8 13 3 29 19 7 5 3 5 15 8 4 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 72 m 4H | 73 73 s 7H | 41 40 tdp 1H J 19 37 54 | 38 37 d 2H J 124 | 36 36 d 2H J 124 | 32 31 d 1H J 53 | 29 28 dtt 1H J 17 35 52 | 19 17 m 3H | 17 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)cc(C2NC3(CCN(C)C3=O)CC2S(=O)(=O)c2ccccc2)n1
ir: 6 8 7 6 5 5 14 7 8 12 17 19 37 11 12 7 6 7 7 13 9 7 6 6 6 10 7 4 5 12 94 35 42 21 13 8 11 11 16 18 60 19 7 6 8 9 7 10 9 4 6 10 7 6 7 8 8 7 6 13 8 8 19 8 16 18 58 24 13 11 6 10 11 9 9 16 8 8 10 5 7 7 15 9 38 37 9 7 14 7 16 12 4 5 7 7 10 9 10 17 12 7 8 8 16 8 19 12 6 70 31 21 14 10 11 6 12 13 14 16 30 14 14 8 7 15 18 10 10 12 17 8 25 14 11 22 7 9 6 4 4 10 38 9 21 7 10 0 28 13 2 8 9 6 7 7 6 9 35 7 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 5 4 4 4 4 4 4 4 4 5 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 6 9 8 6 6 9 6 7 10 11 20 9 18 87 23 33 10 6 6 7 6 5 8 6 5 6 4 4 7 9 10 11 65 100 58 9 5 4 6 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 79 78 m 2H | 77 76 m 1H | 76 75 m 2H | 75 74 dd 1H J 7 22 | 71 70 d 1H J 20 | 53 52 ddd 1H J 7 68 97 | 42 41 dt 1H J 79 97 | 38 37 d 1H J 68 | 35 34 m 2H | 29 29 s 2H | 27 27 dd 1H J 79 143 | 25 24 m 1H | 25 24 s 3H | 22 21 ddd 1H J 26 44 128 | 20 19 ddd 1H J 27 43 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1CS[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C
ir: 1 5 7 8 6 7 10 5 2 8 13 3 1 6 8 3 3 10 12 15 6 7 6 3 5 8 13 7 16 21 17 5 3 7 6 1 3 7 14 9 38 11 18 25 12 15 13 3 13 42 27 13 8 11 6 6 12 11 6 2 6 6 6 2 8 11 6 6 8 10 7 6 5 8 5 4 10 9 49 7 9 8 4 3 6 6 5 17 28 17 11 16 10 9 7 7 17 10 2 5 11 7 7 10 11 6 3 8 22 16 13 13 16 6 4 8 15 4 3 10 9 7 7 12 12 10 16 14 7 7 16 13 9 6 5 8 13 21 5 5 6 9 10 30 57 72 20 10 21 16 5 8 28 42 9 13 5 2 5 9 6 0 6 91 44 3 3 5 3 1 3 6 3 1 3 6 3 0 4 6 3 1 4 5 3 1 4 5 3 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 4 1 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 6 7 4 5 7 9 6 8 14 11 6 16 13 30 58 78 100 74 67 34 8 6 4 5 6 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5; 1HNMR: 77 76 ddq 1H J 9 18 101 | 72 71 m 4H | 62 61 dd 1H J 13 101 | 61 60 q 1H J 9 | 38 37 dd 1H J 8 148 | 37 36 dd 1H J 7 150 | 33 32 ddt 1H J 12 32 51 | 27 26 d 1H J 165 | 26 25 dddd 1H J 9 48 73 141 | 25 24 m 2H | 23 23 d 3H J 6 | 22 22 ddd 1H J 17 25 101 | 20 19 m 3H | 17 16 m 2H | 15 13 m 6H | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(NCc1ccccc1)c1ccccc1
ir: 1 1 1 1 1 1 5 3 2 4 5 3 6 1 2 2 1 2 2 2 2 2 1 2 2 2 1 3 3 12 7 16 8 10 12 9 4 8 5 55 53 40 22 11 13 14 4 6 3 2 2 1 1 2 2 1 3 1 3 2 4 10 16 5 11 16 7 9 12 6 6 14 4 4 3 2 3 5 2 3 1 2 2 1 2 2 1 2 5 17 5 3 2 1 2 1 2 3 4 3 2 2 1 2 1 1 2 2 4 11 1 23 30 13 8 7 4 5 3 4 5 3 4 3 6 5 3 3 3 3 4 7 18 9 0 46 10 8 9 15 8 9 7 28 7 5 5 2 2 1 1 4 11 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 20 8 4 4 9 21 24 100 32 17 5 8 5 3 3 4 4 2 2 2 1 2 1 2 3 2 8 18 9 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; 1HNMR: 74 73 m 7H | 73 72 m 1H | 72 72 dq 2H J 9 76 | 60 59 ddd 1H J 77 108 161 | 52 51 m 2H | 42 41 tt 1H J 25 75 | 40 39 ddt 1H J 10 61 138 | 39 38 ddt 1H J 10 62 138 | 21 20 dt 1H J 62 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1cccc2c1CCC(N)(C(=O)O)C2
ir: 7 6 7 7 8 6 6 7 8 9 8 7 6 11 9 7 9 12 9 9 10 14 32 14 8 11 7 8 9 6 6 6 6 6 7 7 7 6 6 6 6 6 6 6 7 7 10 7 9 8 7 8 10 7 7 7 7 5 6 7 7 5 9 42 37 18 16 12 10 6 6 9 9 7 8 7 9 29 23 16 34 9 8 9 7 7 8 8 6 10 18 21 20 8 7 7 8 8 6 6 7 7 9 7 7 6 6 6 6 6 6 6 6 6 7 7 9 9 9 7 8 9 8 7 8 7 12 13 14 12 11 17 31 22 14 7 6 8 7 7 8 7 8 5 16 10 6 6 6 6 6 6 6 5 5 6 6 10 8 6 5 6 5 5 6 6 5 5 5 5 5 5 6 6 6 6 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 5 5 6 6 5 5 5 6 5 5 6 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 6 6 6 5 6 6 7 6 7 8 7 7 6 7 6 6 6 7 11 9 9 13 12 7 7 8 7 6 7 5 84 90 19 11 11 18 22 12 7 7 10 12 0 85 100 3 8 7 4 4 7 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 6 5 6 6 5 5 6 6 6 6 6 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 71 71 t 1H J 74 | 70 70 dq 1H J 10 71 | 68 67 dd 1H J 13 77 | 43 43 s 2H | 32 32 dd 1H J 8 155 | 30 28 m 4H | 29 28 s 5H | 25 24 ddd 1H J 57 82 141 | 22 21 ddd 1H J 57 82 145
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cn3ccc(C)cc3n2)cc1
ir: 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 3 4 3 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 1 1 3 11 19 4 6 29 28 3 2 1 0 2 1 1 1 2 6 4 2 2 5 1 1 1 0 1 1 3 12 6 2 1 0 0 0 0 0 0 1 2 2 1 1 1 0 0 1 0 0 0 1 7 4 1 10 1 0 1 0 0 0 0 0 0 0 0 0 0 1 5 2 1 2 1 0 0 0 0 2 1 1 0 0 1 6 1 0 0 2 37 1 1 0 1 1 1 2 2 1 5 50 4 3 1 3 3 2 4 2 1 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 2 1 1 2 10 9 100 26 12 43 15 7 3 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 d 1H J 71 | 82 82 s 1H | 79 78 m 2H | 73 72 p 1H J 14 | 69 69 m 2H | 67 67 dp 1H J 11 73 | 38 38 s 3H | 24 23 t 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(N=NC(C)(C)NC(=O)N(N)c1ccccc1)NC(=O)N(N)c1ccccc1
ir: 4 4 4 2 3 1 1 0 0 1 1 0 0 0 1 2 1 0 1 0 0 0 0 0 1 1 1 2 1 5 6 8 6 19 5 2 2 1 1 14 28 40 100 46 15 5 8 1 1 1 1 1 1 1 1 2 3 5 25 21 5 1 6 21 18 14 8 9 15 11 5 4 2 2 1 4 4 3 3 2 1 2 1 4 4 5 20 9 6 2 1 1 1 2 1 1 2 1 1 1 3 3 9 5 2 2 1 0 1 0 0 0 1 4 2 1 1 1 0 5 6 7 8 3 2 2 1 3 7 5 10 2 4 8 23 62 7 10 5 3 2 2 6 12 6 4 18 12 10 4 7 17 19 5 3 0 1 0 0 1 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 1 1 2 7 6 9 5 25 14 7 3 4 1 1 1 1 2 4 3 2 5 3 6 20 13 4 1 2 5 25 29 10 7 8 8 5 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 s 2H | 75 74 m 5H | 74 74 m 5H | 73 73 ddt 2H J 15 68 84 | 46 46 s 4H | 16 16 s 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1c(C)c(Sc2ccc(S(=O)(=O)N3CCNCC3)cc2)n2cc(C#N)c(Cl)cc12
ir: 2 4 11 8 15 8 2 19 7 6 6 4 4 9 39 4 6 3 19 8 1 5 2 3 8 4 3 2 3 13 9 4 13 23 12 4 3 3 9 6 5 2 4 4 5 12 5 1 3 4 12 17 60 100 36 28 15 7 3 6 10 62 14 29 16 11 10 18 3 9 4 8 44 32 15 7 2 2 10 26 38 4 8 51 36 12 7 7 8 6 49 30 5 9 6 9 4 7 95 26 16 6 10 4 3 5 1 5 9 19 30 20 6 10 13 17 11 12 7 14 11 10 13 52 18 9 3 7 24 25 4 4 2 3 1 2 2 0 0 2 4 3 1 15 21 60 19 11 16 9 4 4 6 10 6 3 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 2 0 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 2 3 2 1 3 3 5 2 3 4 1 1 3 8 20 19 10 26 50 33 11 24 36 5 2 2 3 1 1 2 2 1 3 5 2 2 3 21 15 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 93 93 s 1H | 78 78 m 2H | 77 77 s 1H | 76 75 m 2H | 42 41 q 2H J 66 | 39 38 s 2H | 32 31 m 4H | 29 29 m 4H | 23 23 s 3H | 22 22 p 1H J 34 | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cccc(OC2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1
ir: 10 3 4 2 2 3 4 5 11 2 4 2 3 3 4 3 13 8 5 5 13 7 3 2 1 2 1 5 4 9 9 8 14 33 30 36 10 6 5 9 26 100 12 14 47 67 25 6 22 15 11 3 2 3 4 2 4 4 1 2 4 2 1 0 2 3 4 11 18 9 8 3 3 5 15 17 10 3 9 2 2 2 1 1 5 21 4 2 3 2 6 1 2 1 0 1 1 2 1 5 25 4 1 2 1 4 4 3 4 3 9 4 2 5 1 4 9 20 28 40 24 6 3 8 11 21 15 19 26 21 51 25 7 7 15 8 18 4 2 11 16 4 69 35 6 9 26 3 16 5 19 21 20 24 19 3 4 2 1 11 2 0 1 2 5 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 6 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 3 5 2 4 2 2 2 3 4 2 12 21 12 26 83 57 25 18 5 4 4 1 1 1 1 1 1 1 1 1 1 2 4 5 5 3 14 19 61 78 95 26 16 16 14 5 1 2 2 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 85 84 t 1H J 60 | 77 76 m 2H | 76 75 ddd 1H J 11 21 64 | 74 73 m 5H | 70 69 m 1H | 70 70 s 1H | 45 45 p 1H J 45 | 41 40 d 2H J 60 | 38 37 ddd 2H J 60 87 123 | 34 33 ddd 2H J 60 88 123 | 23 22 dddd 2H J 45 60 88 131 | 20 19 dddd 2H J 46 60 88 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1cc(N2CCCc3ccccc3C2)nc2ccccc12
ir: 2 6 4 2 2 1 3 1 2 2 1 1 1 1 2 7 1 1 1 1 1 1 3 4 1 14 4 4 2 1 1 1 1 1 1 1 2 1 2 4 5 3 36 63 9 2 2 4 3 7 4 1 4 1 1 1 1 1 1 2 3 9 4 3 5 6 8 2 9 14 1 1 1 2 4 6 5 1 1 1 1 1 2 2 4 3 1 2 4 24 2 1 1 4 2 1 2 4 3 3 4 4 1 1 3 5 3 11 7 4 4 2 1 7 2 6 5 4 3 2 6 4 3 7 6 2 3 1 2 3 1 2 2 3 3 17 9 15 8 9 4 5 5 14 17 14 6 3 5 11 23 4 2 1 1 1 5 2 1 2 2 28 5 3 2 8 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 2 2 3 3 2 1 1 1 1 2 11 10 6 43 100 33 20 6 1 2 1 1 0 1 1 0 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 1H | 79 78 dd 1H J 14 74 | 76 76 td 1H J 13 71 | 74 74 ddd 1H J 13 68 83 | 72 71 m 2H | 71 70 m 1H | 70 70 ddt 1H J 9 18 77 | 68 67 d 1H J 10 | 46 46 d 2H J 10 | 37 36 s 2H | 36 35 t 2H J 73 | 31 30 td 2H J 9 84 | 28 27 td 2H J 9 87 | 27 27 t 2H J 84 | 21 20 tt 2H J 72 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C=Cc1cccc(S(=O)(=O)NCc2cccc3ccccc23)c1)NO
ir: 9 7 5 8 5 2 1 8 3 4 4 14 14 6 7 5 9 23 8 5 3 1 3 4 3 1 2 3 2 4 13 11 5 5 2 3 3 4 4 7 8 12 10 15 13 38 23 9 34 36 19 7 8 6 5 4 2 4 4 8 13 23 3 2 5 10 9 16 20 22 8 6 2 2 5 4 7 12 3 12 5 4 2 5 6 37 18 24 9 5 8 39 9 11 13 10 90 6 15 11 15 37 37 100 36 40 15 25 6 3 2 4 3 2 1 1 2 1 0 2 4 2 1 4 6 8 1 2 5 6 3 3 3 1 1 1 4 6 3 9 31 3 1 2 5 70 7 6 28 5 6 22 10 1 4 2 4 5 2 2 1 2 1 6 2 1 1 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 1 1 0 1 1 0 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 1 2 2 4 3 2 7 20 55 86 55 13 6 5 3 3 6 5 10 5 3 1 1 1 2 1 1 2 2 4 31 30 8 51 5 2 2 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 97 96 d 1H J 37 | 90 89 d 1H J 35 | 83 82 t 1H J 21 | 82 81 m 1H | 79 79 m 1H | 79 78 m 2H | 78 77 ddt 1H J 10 21 79 | 77 76 m 2H | 76 75 m 2H | 74 74 dq 1H J 10 73 | 74 73 m 1H | 68 67 d 1H J 163 | 62 62 t 1H J 73 | 45 44 dd 2H J 8 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCN(C)CC3)ncc1Cl
ir: 2 3 3 3 2 3 1 2 2 2 3 2 1 2 2 4 2 2 3 7 9 5 7 6 13 4 7 6 5 6 3 10 7 3 3 8 10 15 16 9 11 50 41 19 28 20 37 58 7 12 5 0 3 21 7 2 2 3 3 2 4 2 2 1 1 2 2 2 5 4 3 6 2 2 4 3 1 1 3 10 4 2 1 2 6 3 1 2 2 4 3 2 4 2 3 2 2 2 1 4 5 12 7 3 0 23 5 2 2 2 2 3 1 4 0 2 2 2 1 2 3 2 2 4 10 4 3 19 2 2 2 1 2 2 6 12 11 10 1 3 3 5 11 14 23 7 75 35 8 6 5 20 6 9 23 12 100 32 42 6 5 4 13 17 24 4 3 0 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 4 7 18 10 4 4 3 2 1 2 1 1 3 4 2 2 2 1 3 2 4 4 2 5 11 26 51 49 60 26 18 5 2 3 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 1 1 1; 1HNMR: 93 92 s 1H | 88 88 s 1H | 85 85 s 1H | 79 78 m 1H | 74 73 m 3H | 72 71 dt 1H J 9 20 | 71 71 dd 1H J 22 79 | 70 69 dd 1H J 9 78 | 67 66 q 1H J 51 | 29 29 d 3H J 51 | 29 28 m 9H | 24 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1CCN1CCN(c2n[nH]c3ccccc23)CC1
ir: 3 4 6 4 3 3 3 3 3 3 5 4 10 4 3 3 7 10 7 4 3 3 3 3 3 4 9 4 4 3 8 4 4 6 4 7 14 6 6 25 30 5 28 9 4 4 5 3 3 3 4 3 4 3 3 3 3 3 5 4 4 4 7 4 4 3 3 3 3 4 5 3 3 3 3 3 3 3 3 3 7 4 9 3 4 5 4 3 3 3 3 3 3 3 4 4 3 3 3 6 6 4 7 4 4 3 3 3 6 5 18 4 5 4 5 7 4 4 4 4 8 7 4 5 7 11 5 4 3 3 5 4 13 13 5 7 5 8 13 14 4 3 3 3 3 3 3 10 5 2 2 5 5 0 100 3 5 6 4 6 3 3 5 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 6 6 11 37 9 5 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 6 14 6 6 3 3 3 3 3 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2; 1HNMR: 79 78 m 3H | 77 77 dd 2H J 31 51 | 77 76 dd 1H J 14 88 | 75 74 ddd 1H J 13 73 87 | 73 73 ddd 1H J 14 72 86 | 40 39 t 2H J 38 | 37 36 m 4H | 29 29 t 2H J 38 | 28 28 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncn2c3cccc(I)c3c(=O)n(C)c12
ir: 1 4 5 10 7 15 29 25 13 12 8 3 2 4 4 6 5 3 1 1 2 1 1 1 1 1 1 2 16 30 7 8 7 2 3 2 8 2 6 1 2 4 2 1 1 3 2 49 55 14 5 0 1 2 1 0 1 3 1 6 2 1 1 2 1 2 1 1 1 2 1 3 5 5 5 13 13 3 2 3 4 10 9 1 2 2 2 8 4 2 0 0 1 2 1 9 7 2 0 3 2 1 0 4 5 3 0 100 77 5 5 4 1 4 11 5 8 12 9 17 4 4 3 3 1 2 2 6 5 4 3 1 1 1 2 1 8 15 21 11 6 5 2 8 6 2 1 1 1 1 1 2 1 0 2 3 14 2 1 6 42 8 13 6 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 2 1 1 1 1 1 1 2 1 2 2 5 13 15 10 19 39 8 5 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 s 1H | 79 78 dd 1H J 11 71 | 77 77 dd 1H J 11 64 | 75 74 dd 1H J 64 71 | 43 43 q 2H J 64 | 37 37 s 2H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1nn(C(C)C)c(Sc2cc(Cl)cc(Cl)c2)c1C(O)c1ccncc1
ir: 3 2 1 4 7 2 1 2 0 5 6 2 1 3 4 3 2 1 1 0 0 1 3 2 4 2 1 1 1 1 9 4 2 1 1 3 1 1 0 1 0 0 0 1 2 0 0 0 0 1 1 1 1 0 1 1 1 1 0 1 0 0 2 2 2 5 8 3 3 2 2 2 5 10 5 2 3 1 3 1 1 1 3 5 4 36 17 4 5 1 13 6 2 1 2 3 5 0 1 2 0 2 2 1 1 1 0 4 1 1 1 15 3 4 2 1 1 1 2 2 1 5 9 5 3 4 1 4 3 2 3 1 0 1 1 3 2 0 0 0 0 0 3 0 0 0 0 2 1 1 0 0 3 0 1 0 5 6 2 1 5 7 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 1 1 0 1 0 0 0 0 0 1 1 1 1 0 0 0 0 1 0 1 2 2 2 2 3 7 5 2 17 15 9 1 2 2 1 6 100 14 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 74 73 m 2H | 72 71 t 1H J 22 | 70 70 d 2H J 22 | 64 63 m 1H | 48 47 hept 1H J 43 | 44 43 q 2H J 64 | 32 31 d 1H J 53 | 15 15 dd 6H J 27 43 | 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.
CS(=O)(=O)c1ccc(-c2nccs2)c(C(=O)N2CCN(c3ccc(C#N)c(F)c3)CC2)c1
ir: 20 8 4 4 3 6 3 4 3 17 34 16 7 15 25 6 3 1 1 1 3 2 2 12 13 8 13 3 2 2 4 1 1 3 23 26 9 11 13 3 3 2 6 2 7 4 4 2 2 5 2 2 3 0 10 31 6 14 4 4 3 3 13 12 6 27 27 10 12 16 6 8 6 1 3 6 2 2 3 2 1 1 2 6 3 7 33 30 33 30 100 9 36 20 22 16 11 7 17 9 4 11 5 3 2 3 26 11 3 4 3 7 12 5 5 4 4 8 10 3 7 16 26 46 20 9 4 21 10 5 4 3 5 6 1 2 2 1 1 3 3 6 2 2 1 1 1 1 1 3 22 8 3 10 2 2 1 1 2 13 1 1 9 3 2 1 9 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 7 2 2 2 2 4 5 9 4 6 4 2 2 4 22 95 5 28 52 33 16 4 1 3 4 1 1 1 2 1 0 1 2 1 0 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 d 1H J 22 | 81 81 d 1H J 89 | 80 79 dd 1H J 21 89 | 77 77 d 1H J 44 | 75 75 dd 1H J 48 75 | 74 73 d 1H J 44 | 68 67 dd 1H J 21 121 | 67 67 dd 1H J 22 75 | 37 36 m 4H | 34 33 m 4H | 32 32 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)O[C@@H]1CC2=CC=C3[C@@H]4CC[C@H](C(C)C(=O)OC)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](OC(=O)OC)C1
ir: 2 19 9 10 20 17 7 11 14 11 16 3 2 3 19 4 4 1 1 4 1 1 2 2 1 1 1 2 3 3 2 2 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 2 1 3 1 3 1 1 2 1 1 0 1 2 2 0 5 4 10 2 4 8 3 2 6 9 2 5 9 2 2 1 2 5 3 1 2 1 1 0 1 1 1 5 3 1 1 1 2 4 1 1 2 4 3 7 8 2 1 4 8 21 10 14 15 11 7 11 27 25 26 11 9 8 10 2 9 6 6 3 4 5 4 2 3 5 3 2 3 4 4 2 3 3 3 2 1 3 3 0 100 43 3 2 3 1 1 2 2 14 0 1 1 0 7 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 3 1 1 2 5 4 4 5 5 6 5 3 7 15 51 9 5 2 3 1 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 0 0 0 0 0 0 0 0 0; 1HNMR: 63 62 dp 1H J 9 77 | 57 56 dtt 1H J 9 19 77 | 52 52 ddd 1H J 37 54 81 | 50 49 dddt 1H J 40 49 68 78 | 37 37 s 2H | 28 27 ddt 1H J 9 40 154 | 26 25 ddt 1H J 10 68 154 | 25 23 m 2H | 22 21 m 3H | 21 21 s 6H | 20 19 m 2H | 19 18 m 2H | 18 17 ddddd 1H J 18 49 67 84 133 | 16 15 m 2H | 15 14 m 2H | 12 11 m 6H | 8 8 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
ir: 3 5 3 6 5 1 4 4 1 2 3 3 3 6 6 3 4 2 2 4 2 2 2 2 2 3 6 3 5 3 12 35 14 13 21 21 5 2 4 36 51 14 14 13 17 9 2 2 4 1 3 4 2 11 42 27 7 17 10 1 2 1 2 3 5 3 2 10 32 46 7 6 2 1 2 4 8 8 9 8 1 2 5 6 10 8 32 30 23 13 13 3 8 4 2 3 2 2 1 3 2 4 4 2 1 1 1 1 3 5 5 3 3 2 2 5 0 2 2 5 4 2 3 3 2 3 10 4 1 2 2 2 1 3 18 16 4 2 3 0 0 10 33 74 14 17 8 16 3 25 14 10 27 3 1 2 1 1 1 3 1 1 1 2 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 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 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 2 3 5 2 2 3 1 2 1 5 13 14 23 36 100 63 8 15 5 3 3 6 14 7 5 2 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 74 m 2H | 74 74 m 2H | 74 73 m 1H | 74 73 m 2H | 73 72 m 3H | 70 69 m 2H | 69 68 m 2H | 41 40 t 2H J 47 | 38 37 m 4H | 33 32 t 1H J 62 | 32 32 t 2H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)Cn1cc(-c2ccc3c(c2)OCCc2sc(-c4nccn4C4CNC4)nc2-3)cn1
ir: 1 2 1 1 4 2 4 4 1 2 2 4 0 1 1 1 1 3 1 1 1 6 5 1 1 1 2 1 0 1 1 1 1 1 1 8 3 1 1 1 1 1 1 2 4 2 7 0 1 3 13 7 3 2 5 14 2 2 2 2 7 7 2 2 7 5 5 1 6 7 1 1 1 1 2 3 7 7 12 5 2 1 2 1 2 3 2 2 3 9 19 3 5 5 2 6 2 2 1 3 2 4 1 19 9 35 13 5 6 6 1 1 2 2 2 2 2 1 1 2 1 1 2 1 1 1 1 2 1 2 3 2 3 4 3 2 1 1 0 2 5 24 2 1 0 2 16 4 1 0 1 1 1 1 3 3 1 0 1 1 0 0 0 1 0 12 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 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 2 2 1 3 2 1 1 3 1 4 6 0 6 5 10 8 9 10 4 3 12 100 9 7 2 4 1 1 1 1 1 1 3 30 16 4 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 78 77 d 1H J 86 | 76 76 q 1H J 7 | 75 74 dd 1H J 16 86 | 74 73 d 1H J 42 | 73 73 d 1H J 17 | 72 71 m 1H | 48 48 p 1H J 18 | 44 44 t 2H J 62 | 40 39 d 2H J 7 | 33 32 ddd 2H J 17 29 108 | 32 31 m 3H | 31 30 ddd 2H J 16 29 108 | 25 25 p 1H J 29 | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-n2cccn2)c1
ir: 22 7 4 6 7 8 8 37 94 41 9 6 5 3 2 4 5 4 3 4 7 6 18 11 6 4 3 6 6 4 6 33 41 16 3 5 5 5 4 15 14 9 7 5 5 5 6 49 35 0 3 7 5 3 4 6 4 1 4 8 6 4 6 6 7 4 6 20 47 17 5 6 4 3 6 8 5 4 15 12 9 6 6 6 6 2 5 5 2 3 11 13 16 5 5 4 4 7 7 5 3 5 6 5 3 4 5 4 2 4 6 8 20 9 5 6 7 24 21 11 6 7 9 10 16 14 28 15 9 6 11 11 11 9 10 3 2 7 13 57 67 52 100 18 16 14 39 9 16 23 39 10 6 9 7 4 4 4 5 3 3 4 4 3 4 4 4 2 4 4 3 2 3 5 3 2 4 5 3 3 4 5 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 5 4 2 3 5 3 2 3 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 4 5 4 2 3 5 4 5 5 6 5 3 7 7 13 18 29 64 55 36 42 61 20 9 4 5 4 4 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 3 3 3 4 3 3 3 4 3 2 3 4 3 2 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 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 84 84 t 1H J 22 | 80 80 d 1H J 25 | 79 79 ddd 1H J 11 21 73 | 78 77 m 2H | 76 76 t 1H J 74 | 65 65 m 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N3CCC(O)CC3)c2)cc1
ir: 4 19 13 5 5 7 5 13 26 15 15 6 19 27 18 3 4 3 2 2 3 3 4 8 9 14 6 8 15 46 13 5 16 5 2 2 1 1 1 1 2 3 2 2 3 3 4 2 6 3 2 2 1 20 10 3 2 3 2 2 3 3 8 10 11 9 13 3 7 5 6 7 7 1 3 3 1 1 1 1 2 8 7 3 8 29 17 5 12 49 54 6 4 12 100 23 18 3 10 5 9 12 2 4 5 5 7 9 4 3 8 6 8 8 6 9 16 13 8 16 14 14 5 9 6 19 10 10 16 9 8 7 6 2 2 3 2 3 3 1 1 3 7 4 3 3 2 20 3 4 8 10 1 2 1 1 1 1 1 1 3 9 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 4 6 3 5 7 7 4 6 3 5 4 5 6 7 26 31 15 26 30 8 8 15 3 1 1 3 4 2 2 1 1 1 1 1 2 1 0 1 1 1 7 4 2 8 5 3 2 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 80 79 d 1H J 16 | 78 78 m 2H | 73 73 dt 1H J 9 18 | 72 72 dt 2H J 12 87 | 59 59 d 1H J 90 | 46 45 dt 1H J 62 90 | 39 38 h 1H J 49 | 37 36 ddd 2H J 63 91 121 | 34 33 ddd 2H J 62 90 121 | 32 32 d 1H J 49 | 32 31 ddd 1H J 9 62 145 | 29 28 ddd 1H J 9 62 145 | 24 24 d 3H J 9 | 22 21 dddd 2H J 51 64 92 130 | 19 18 dddd 2H J 50 63 92 130 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H]([C@H](C#N)c2cc(Cl)cc(Cl)c2)C[C@H]1CC
ir: 2 11 26 25 18 25 16 16 1 7 15 10 2 6 12 5 8 12 12 5 8 7 7 7 3 11 7 2 5 10 7 8 12 6 6 4 5 8 12 3 5 8 5 1 3 7 5 2 4 8 7 7 5 19 21 49 19 19 7 1 12 12 5 6 18 33 14 16 14 20 6 8 9 9 4 7 13 8 6 2 8 7 3 3 7 6 5 5 8 8 4 38 43 33 23 9 12 14 13 14 14 18 9 15 10 6 2 6 10 9 18 14 36 63 29 26 36 10 8 14 10 18 15 23 16 9 25 13 14 20 64 14 10 12 6 7 11 4 2 5 7 3 2 5 6 60 54 8 7 4 27 18 17 100 17 32 10 5 15 13 19 5 4 13 6 1 3 7 4 0 3 7 3 0 4 7 4 1 4 12 4 1 4 6 3 1 4 6 2 1 4 5 2 1 5 5 2 2 5 5 2 2 5 5 1 2 5 4 1 2 5 4 1 2 6 4 1 3 6 4 1 3 6 4 1 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 2 5 5 3 2 5 5 2 3 5 5 2 3 6 5 2 3 7 8 3 5 8 7 4 8 13 12 5 10 12 11 2 43 68 54 82 33 28 19 10 20 10 6 3 5 6 3 2 5 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 76 75 dtt 2H J 12 27 86 | 73 73 m 3H | 72 72 t 1H J 22 | 48 47 m 1H | 44 43 m 1H | 42 42 q 2H J 65 | 35 34 m 1H | 23 22 ddd 1H J 51 62 123 | 20 19 ddd 1H J 79 90 122 | 18 17 dp 1H J 71 119 | 16 15 dp 1H J 71 119 | 13 12 t 3H J 66 | 9 8 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCO[C@@H](Cc1ccc(OCc2cc(OC)ccn2)cc1)C(=O)N(C)OC
ir: 4 5 5 7 8 7 6 5 6 6 7 6 7 6 6 8 5 12 9 13 6 8 9 5 4 5 7 5 6 5 6 10 14 17 9 17 7 6 9 7 5 5 5 5 5 5 6 5 7 5 5 4 6 5 12 34 24 8 6 3 6 7 7 12 20 21 13 16 17 14 6 6 5 9 10 21 6 8 6 5 4 6 5 6 4 4 5 11 8 6 6 4 4 4 5 5 7 6 9 5 4 4 4 4 4 6 6 10 7 5 4 5 4 5 5 5 4 5 6 5 6 5 7 5 5 7 9 8 13 7 5 10 5 5 5 4 4 5 10 7 4 5 6 3 3 8 10 55 100 0 2 8 18 5 4 7 5 3 4 14 27 32 9 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 6 4 5 6 6 5 6 5 7 6 6 14 12 15 26 59 13 9 8 4 5 5 4 4 4 5 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 82 81 d 1H J 48 | 71 71 dt 2H J 9 89 | 68 68 m 2H | 68 68 dd 1H J 10 22 | 67 67 dd 1H J 22 48 | 52 51 d 2H J 9 | 45 44 t 1H J 61 | 38 37 m 4H | 37 36 dq 1H J 64 115 | 35 35 s 3H | 31 31 ddt 1H J 9 62 139 | 30 30 s 3H | 29 28 ddt 1H J 9 61 139 | 12 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)n1c(N2CCC(Cc3ccccc3)CC2)cc2cc(C(N)=O)ccc21
ir: 8 2 1 5 2 2 4 2 3 2 7 4 3 8 10 11 13 4 26 3 8 11 10 2 2 1 1 2 2 3 10 9 8 7 4 5 4 4 11 47 36 8 9 9 10 10 10 7 3 28 2 1 1 1 2 11 4 1 1 1 1 1 1 5 1 1 1 3 11 7 3 2 5 6 5 5 7 4 3 2 1 1 2 3 3 2 15 11 8 8 2 1 1 2 2 3 3 4 10 2 1 4 1 17 11 2 3 2 1 1 3 1 1 1 4 3 1 4 2 3 1 2 1 2 1 1 4 4 6 1 1 2 1 7 4 24 2 1 1 2 5 18 21 16 17 52 5 1 2 5 1 7 3 2 9 2 5 21 44 10 7 11 4 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 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 3 1 2 2 3 13 3 3 3 13 8 17 42 16 9 4 3 5 8 4 4 1 2 1 1 1 1 1 1 2 3 1 0 1 1 0 1 1 4 0 0 5 100 90 4 0 0 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 86 dd 1H J 16 23 | 79 79 d 1H J 80 | 78 78 dd 1H J 16 80 | 74 74 s 2H | 73 72 m 3H | 72 71 m 2H | 67 66 m 1H | 64 63 d 1H J 24 | 61 61 dd 1H J 18 163 | 60 59 dd 1H J 18 108 | 37 36 m 2H | 35 34 m 2H | 27 26 dt 2H J 9 70 | 20 19 m 3H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(n1)c1cc(Cl)ccc1n1c3cc(CC(C)C)c(CC(C)C)cc3nc21
ir: 10 11 10 10 14 13 13 13 13 25 16 13 12 13 11 11 10 10 10 10 15 23 15 10 10 11 10 13 10 11 11 10 10 10 12 12 16 21 13 10 11 11 11 11 11 11 12 11 15 10 66 12 21 36 21 17 14 13 13 12 18 15 15 18 14 25 18 27 24 39 35 14 12 14 12 12 14 16 13 13 24 13 10 11 11 12 17 50 14 12 10 13 14 14 20 12 11 12 14 11 14 14 10 13 20 12 11 14 16 16 13 12 11 11 14 22 14 15 13 14 14 11 14 17 17 13 13 15 15 12 12 13 11 11 13 17 15 16 14 12 13 50 14 15 13 20 12 13 11 11 15 55 17 33 58 15 33 31 12 14 13 3 75 0 10 14 18 10 11 12 10 9 10 11 10 9 10 11 10 9 10 11 10 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 11 10 10 13 12 11 9 11 13 15 13 13 18 24 17 15 22 28 32 75 100 32 28 18 18 16 16 15 13 12 12 11 10 11 11 11 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10; 1HNMR: 84 84 d 1H J 79 | 81 81 d 1H J 79 | 79 79 d 1H J 26 | 76 76 m 1H | 75 75 m 2H | 75 74 dt 1H J 7 78 | 27 26 dd 2H J 8 72 | 26 26 m 5H | 20 18 dp 2H J 70 139 | 9 9 dd 12H J 12 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)c2c(NCCN3CCNCC3)cccc21
ir: 1 1 1 1 1 2 5 1 1 1 1 2 1 2 3 2 1 1 1 1 1 2 2 3 4 4 5 2 3 6 4 2 0 3 7 100 43 3 1 16 5 2 1 2 1 0 4 3 1 1 1 1 2 30 11 4 14 2 4 3 2 0 1 4 6 2 2 12 2 1 1 2 1 1 1 2 1 1 1 3 3 2 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 2 2 1 2 1 1 2 7 2 1 2 14 8 2 3 1 3 8 4 7 27 3 0 3 4 4 1 2 3 2 1 3 6 1 2 2 4 1 2 2 4 4 4 3 1 3 10 2 2 1 5 2 1 5 9 3 2 0 3 2 7 1 1 4 11 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 1 1 1 1 1 5 2 6 37 8 2 1 2 1 0 1 1 1 0 1 1 1 1 1 2 3 4 18 23 4 2 2 9 12 9 5 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 82 82 t 1H J 44 | 80 79 m 2H | 79 79 m 1H | 79 78 m 2H | 75 75 t 1H J 77 | 70 70 dd 1H J 11 79 | 34 34 m 3H | 28 27 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c(C)c(C3CN4CCC3CC4)c2c1
ir: 2 2 1 2 1 1 2 9 4 5 10 3 1 1 1 1 1 2 2 1 1 1 1 1 3 1 6 25 34 1 5 3 1 1 3 3 4 1 0 2 1 0 1 1 2 4 37 6 1 3 7 5 100 26 12 0 2 3 6 2 2 1 2 1 2 7 12 9 18 13 20 6 18 3 2 5 1 2 4 13 17 15 5 4 1 0 0 1 2 2 1 2 1 1 2 1 4 6 12 14 2 2 3 2 4 12 1 9 20 10 14 20 1 4 1 3 6 3 2 3 1 2 1 2 2 1 1 6 4 3 1 1 0 1 0 4 2 1 1 0 0 2 1 0 0 0 1 4 5 2 1 0 1 2 8 22 16 2 1 1 0 1 1 1 2 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 2 1 1 1 1 3 2 3 2 2 2 1 2 9 9 2 8 11 15 8 11 4 3 1 1 1 1 1 1 1 1 0 1 1 0 1 1 2 2 3 2 1 9 13 20 7 2 1 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 s 1H | 72 72 d 1H J 74 | 70 70 dd 1H J 27 73 | 70 69 d 1H J 27 | 39 38 s 2H | 30 30 dd 1H J 33 110 | 30 29 m 3H | 29 28 ddd 2H J 45 71 117 | 28 27 dd 1H J 33 110 | 24 23 s 2H | 20 18 m 3H | 17 16 ddt 2H J 45 71 117
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1C(=O)C(Nc2ccc3oc(C(C)=O)cc3c2)=C(c2ccccc2)S1(=O)=O
ir: 6 4 6 7 2 4 3 3 3 5 20 3 5 12 14 6 5 5 10 13 5 7 4 14 3 15 11 5 8 22 12 52 11 5 21 4 5 11 4 2 5 11 10 3 3 4 3 6 2 6 3 3 3 2 3 7 10 5 4 2 4 3 12 21 6 3 3 5 18 10 15 3 3 3 5 0 6 5 4 17 4 11 3 7 23 4 5 5 16 4 5 19 3 2 3 2 7 3 3 3 5 5 4 3 3 12 5 6 4 9 3 3 3 2 2 2 5 6 5 9 7 10 14 7 10 33 34 16 6 4 14 16 3 3 5 8 2 2 2 10 3 4 15 13 4 30 10 18 5 2 3 13 13 20 6 3 17 2 2 2 2 4 2 2 28 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 4 3 2 3 2 2 3 4 4 9 10 8 21 94 12 22 9 7 4 3 2 3 3 4 2 2 2 2 3 3 3 2 3 2 4 11 17 100 19 11 7 5 4 6 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 84 83 s 1H | 78 77 t 1H J 22 | 77 76 m 2H | 76 75 dq 3H J 15 66 | 75 74 m 1H | 74 74 d 1H J 85 | 74 73 dd 1H J 21 85 | 39 38 t 2H J 74 | 25 24 s 2H | 18 17 ddd 2H J 66 73 140 | 14 13 hept 2H J 68 | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CC(=O)c4ccc(F)cc4)CC3)cc21
ir: 6 4 3 6 4 6 4 6 5 4 7 8 18 6 6 11 16 16 9 7 70 100 48 9 10 8 11 7 10 13 2 11 8 0 5 9 10 6 8 11 5 8 14 8 6 7 17 29 52 39 17 12 11 8 6 16 10 2 4 9 6 0 7 8 6 3 8 16 19 55 6 6 4 1 7 22 51 49 13 15 13 7 8 16 14 12 13 15 14 19 15 18 7 5 7 7 5 12 7 15 40 6 10 10 2 4 9 5 9 7 9 4 2 7 8 5 1 5 8 6 5 14 19 8 22 65 11 6 12 8 10 11 8 15 12 3 3 5 5 5 17 9 12 14 5 11 4 5 13 86 81 9 6 67 27 12 5 7 5 3 9 55 19 3 4 14 12 5 3 5 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 4 2 1 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 2 3 3 1 2 4 3 1 2 4 4 3 2 4 4 1 3 5 3 2 4 6 3 1 5 9 23 12 18 49 55 17 11 10 5 2 4 5 7 8 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1; 1HNMR: 90 89 t 1H J 9 | 80 79 d 1H J 122 | 79 79 m 2H | 73 72 m 2H | 72 71 d 1H J 43 | 46 45 qd 2H J 9 79 | 39 39 s 2H | 34 33 m 4H | 29 28 m 4H | 14 14 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(=O)OCOC(=O)C1CCCCC1
ir: 18 34 26 7 6 25 65 13 21 14 11 6 8 4 2 2 2 1 1 2 1 3 3 1 3 2 2 2 2 2 6 4 3 6 4 3 3 6 7 3 4 2 1 1 1 4 2 2 2 1 2 2 3 6 4 3 3 3 7 14 1 6 4 10 6 8 16 27 19 63 52 38 20 19 9 7 8 3 3 4 1 1 1 0 1 0 1 1 1 1 2 3 3 10 7 54 38 33 63 100 45 16 3 7 4 17 10 21 9 11 19 46 32 41 74 45 24 37 9 10 8 6 5 7 8 5 9 9 5 4 1 3 3 1 3 12 13 4 7 29 46 8 3 38 45 31 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 2 3 3 1 2 2 3 5 3 9 5 9 7 17 7 4 11 8 11 45 40 59 8 2 3 2 1 0 1 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 60 60 s 2H | 25 24 s 3H | 24 23 m 1H | 19 18 m 2H | 16 15 m 4H | 15 14 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCC(=O)CNC(=O)OC(C)(C)C)cc1
ir: 20 10 11 9 3 5 4 4 7 14 9 6 6 7 8 24 7 7 5 5 5 7 6 4 11 6 12 27 23 47 40 21 35 18 12 5 8 9 3 2 3 4 5 2 3 3 2 2 3 4 5 10 12 42 13 34 8 9 5 6 7 8 10 8 5 3 2 3 2 15 3 1 3 2 1 2 2 2 1 1 2 2 1 1 2 2 3 18 6 4 2 2 2 2 2 4 8 5 12 17 4 2 1 2 2 2 2 3 2 4 2 4 4 12 5 5 9 9 15 25 21 11 27 6 15 7 22 16 16 24 16 23 7 2 2 3 3 4 4 16 81 13 11 13 14 40 62 12 100 81 36 16 18 3 3 7 3 1 2 3 2 4 2 3 2 0 1 3 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 4 3 3 4 6 6 2 5 4 2 4 8 10 16 26 43 44 83 33 5 10 5 3 3 3 4 2 4 2 4 3 3 3 2 2 3 1 3 4 13 45 62 44 39 11 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 71 dq 2H J 9 81 | 68 67 m 2H | 59 58 t 1H J 59 | 40 40 d 2H J 59 | 38 38 s 3H | 29 28 ddq 2H J 10 79 97 | 28 27 m 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C[C@]12O
ir: 7 5 4 4 5 4 4 4 5 5 4 5 5 4 4 7 6 6 4 5 5 5 4 4 5 6 3 4 5 5 5 4 4 4 4 5 4 3 4 5 4 3 4 5 5 4 4 4 5 4 4 7 7 5 4 4 4 4 5 6 5 5 6 4 4 4 5 6 4 4 4 5 4 12 8 6 8 7 13 7 5 6 5 5 4 5 10 7 5 6 4 4 4 13 20 5 4 6 7 5 7 5 7 6 4 6 6 7 7 6 7 6 5 5 5 5 4 7 5 5 5 6 10 9 8 7 8 8 5 8 7 5 5 5 5 6 5 5 4 4 4 5 4 6 15 14 6 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 6 5 4 5 6 5 10 9 6 6 4 8 7 6 8 14 7 5 4 5 5 5 3 8 8 5 100 38 0 4 6 3 3 4 5 3 3 4 4 4 3 4 4 3 3 4 4 3 4 5 4 4 5 5 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 56 55 s 1H | 52 51 dt 1H J 10 21 | 50 49 dt 1H J 10 20 | 28 28 d 1H J 172 | 26 26 d 1H J 172 | 25 24 m 2H | 24 23 m 2H | 21 20 m 3H | 19 18 m 2H | 18 15 m 6H | 15 14 m 3H | 9 9 s 2H | 9 9 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(F)cc1)c1cccnc1
ir: 1 1 3 2 2 2 6 3 4 4 7 8 1 2 2 1 0 1 1 1 1 3 5 4 3 5 9 2 1 2 4 3 2 5 9 7 31 100 12 7 3 5 10 13 4 2 3 7 5 4 3 3 4 0 6 34 31 19 4 2 1 0 2 4 2 1 1 3 2 10 8 0 1 1 1 1 2 1 2 4 6 2 1 1 1 1 2 2 1 2 1 1 1 0 0 1 1 1 1 1 1 7 2 5 6 3 1 1 1 2 4 6 3 9 13 2 2 2 1 2 4 3 12 5 3 3 7 3 0 1 1 0 0 1 1 0 0 2 11 42 4 1 7 6 3 5 33 8 3 14 13 10 5 15 10 6 5 2 1 2 7 13 14 2 2 1 1 1 0 0 1 1 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 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 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 1 0 1 1 1 3 1 1 1 2 4 5 11 25 19 2 3 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 5 17 55 25 12 1 1 1 2 0 1 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 93 92 t 1H J 18 | 87 87 ddd 1H J 16 26 45 | 83 82 m 1H | 75 74 dd 1H J 49 79 | 74 74 m 2H | 72 71 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N1
ir: 7 9 12 15 26 12 15 22 17 10 21 10 5 11 13 14 5 9 15 13 12 22 20 9 9 11 16 80 12 10 10 5 8 10 9 9 5 39 13 6 7 9 9 9 14 81 74 0 6 14 8 0 19 22 55 19 12 66 32 36 32 14 8 6 13 12 7 7 18 11 6 3 9 12 6 9 12 8 7 6 11 11 8 9 12 55 10 7 9 9 8 39 12 8 6 18 10 8 4 6 16 100 6 6 10 7 9 7 13 10 12 7 12 7 3 7 9 12 5 8 12 8 5 29 29 12 5 9 10 6 4 10 9 7 6 9 10 5 5 8 9 6 8 15 8 6 6 12 10 5 7 10 38 23 6 16 49 27 17 17 15 7 8 14 21 5 7 11 9 4 7 10 7 3 7 10 7 4 7 9 6 4 7 9 6 4 7 9 6 5 8 9 5 5 8 8 5 5 8 9 5 5 8 8 5 5 9 8 5 6 9 8 4 6 9 7 4 6 9 7 4 6 9 7 4 6 10 7 4 7 9 7 4 7 9 6 4 7 9 6 4 7 9 6 5 8 9 6 5 8 8 6 5 8 8 5 5 8 8 5 6 8 8 5 6 8 7 5 6 10 8 5 7 9 8 6 7 9 8 4 7 13 9 10 11 11 26 74 17 11 9 11 11 10 7 5 8 10 6 5 8 10 7 6 8 9 6 8 13 23 19 12 31 50 20 14 9 9 6 7 9 8 5 6 9 8 5 6 9 7 5 6 9 7 5 6 9 7 4 7 9 7 4 7 9 6 4 7 9 6 5 7 9 6 5 7 9 6 5 7 8 6 5 7 8 6 5 8 8 6 5 8 8 5 6 8 8 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 9 7 5 7 9; 1HNMR: 88 88 dd 1H J 7 14 | 82 81 m 2H | 80 80 s 1H | 58 58 d 1H J 81 | 38 37 ddddd 1H J 15 29 42 57 115 | 17 16 dqd 1H J 43 74 128 | 15 14 dqd 1H J 42 73 128 | 12 11 d 3H J 59 | 10 10 td 3H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cnc2n(c1=O)C(Cc1ccccc1)(C(=O)O)CC2)OCc1ccccc1
ir: 2 1 1 1 0 1 1 2 2 2 2 3 8 2 2 3 1 1 2 11 22 100 12 2 4 4 2 2 3 3 3 2 4 3 2 0 10 3 4 16 24 10 2 0 1 6 21 27 23 10 2 1 1 1 1 13 4 18 10 3 1 1 1 2 1 2 23 4 3 8 3 11 2 0 1 3 2 4 10 8 18 3 2 3 6 5 8 5 6 9 6 2 1 1 3 2 2 4 6 3 2 1 1 1 0 2 1 1 6 1 1 1 0 1 2 3 4 2 5 5 2 1 2 2 3 4 1 1 1 1 1 1 10 4 27 10 2 1 1 0 0 2 5 34 8 16 4 5 3 17 2 2 3 1 1 10 1 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 2 1 0 1 1 1 3 13 5 5 19 14 5 1 14 1 1 2 2 11 74 9 2 0 1 0 1 2 0 0 1 0 1 2 6 17 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 1H | 74 73 m 8H | 73 72 m 3H | 70 70 s 1H | 52 51 s 2H | 34 33 dt 1H J 8 131 | 31 30 m 2H | 30 29 ddd 1H J 37 55 136 | 23 22 ddd 1H J 37 56 121 | 21 20 ddd 1H J 37 55 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(=CO)c1ccccc1CCl
ir: 3 1 3 2 1 2 3 1 1 0 0 0 0 0 0 0 0 0 1 1 5 5 1 0 1 1 2 2 1 1 1 1 2 4 1 5 14 100 40 10 4 4 17 1 8 3 1 1 1 1 1 0 0 1 0 0 0 1 0 7 3 0 0 4 0 1 0 0 5 7 3 2 1 1 1 1 1 0 0 0 0 1 0 0 1 2 1 0 5 2 5 8 5 1 1 1 1 1 0 2 1 2 1 15 24 7 3 3 2 4 1 1 1 0 1 1 1 1 2 1 0 1 0 0 0 1 3 1 1 6 8 0 0 0 0 0 1 2 0 1 0 2 1 0 1 1 3 8 3 1 0 0 0 0 1 1 1 4 1 1 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 1 1 1 1 2 4 3 12 25 14 7 8 35 34 8 2 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 44 | 75 74 m 3H | 73 73 m 2H | 48 48 d 2H J 9 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)n1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2ccccc21
ir: 2 5 1 2 7 5 3 2 3 2 0 2 4 6 3 6 5 1 1 2 3 3 1 2 2 1 0 2 2 1 1 4 3 5 6 6 4 1 1 4 3 1 8 67 9 1 2 6 4 1 9 26 100 27 24 16 9 4 4 3 9 0 2 3 2 1 3 4 3 5 2 3 1 0 4 3 1 1 2 2 2 2 4 4 1 3 5 3 1 3 4 7 3 11 6 4 2 1 4 4 0 3 3 2 0 1 3 1 0 2 3 2 0 2 3 3 1 2 14 6 7 6 4 5 6 2 4 3 11 3 4 3 1 2 3 1 0 2 13 3 3 6 5 3 19 34 21 12 15 40 32 10 5 21 35 15 5 1 2 1 2 7 10 14 3 0 2 2 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 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 2 3 6 9 24 29 19 2 6 14 3 1 3 3 1 1 2 2 1 1 2 2 1 1 4 5 3 11 20 10 12 10 13 8 4 2 4 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 93 92 t 1H J 57 | 85 85 s 1H | 84 84 dd 1H J 16 82 | 76 75 td 1H J 15 81 | 75 75 td 1H J 16 79 | 74 73 dq 2H J 9 79 | 73 72 m 2H | 72 71 dd 1H J 15 79 | 46 45 dt 2H J 9 57 | 28 28 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NC(=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1
ir: 12 8 4 7 9 7 4 6 8 5 3 9 7 5 17 13 7 6 7 11 19 5 3 6 6 4 3 5 5 3 2 6 5 3 5 6 5 5 3 11 5 1 2 6 4 1 3 8 6 2 5 15 17 17 43 48 46 49 10 10 5 5 13 10 7 39 10 6 0 27 4 6 5 3 4 5 6 3 4 5 3 2 5 6 5 7 9 8 2 15 5 4 2 3 6 7 9 7 28 55 14 42 8 4 4 5 4 4 2 4 9 12 4 4 6 12 4 11 11 20 16 33 17 7 12 15 11 6 11 24 31 30 22 7 5 4 2 4 4 3 3 5 4 22 46 17 13 22 21 18 6 2 13 7 5 3 6 9 9 8 10 6 4 1 5 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 2 1 3 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 6 4 5 11 8 2 4 6 4 1 3 8 6 4 11 24 41 19 71 100 37 15 12 9 5 3 5 5 5 6 83 62 8 5 4 5 3 2 5 5 5 9 15 20 6 7 6 6 4 4 5 4 3 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 76 76 m 5H | 75 75 s 1H | 75 74 m 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(CCO)CC1
ir: 2 2 2 1 1 3 4 1 2 5 4 7 5 7 4 6 5 3 3 0 2 2 2 10 4 4 2 3 1 1 4 4 6 5 3 3 2 1 3 4 5 3 2 1 1 1 1 1 7 4 4 9 2 1 1 2 2 2 1 1 1 1 1 2 0 3 2 1 5 1 1 2 3 1 3 2 4 1 2 3 4 3 1 5 2 2 1 9 26 5 5 3 5 1 1 1 1 1 1 3 4 10 4 0 0 1 1 3 1 1 0 1 2 5 2 1 1 0 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 2 0 2 1 0 2 4 1 0 1 5 1 3 1 0 1 3 1 1 2 9 4 5 11 7 3 3 100 2 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 3 3 3 5 10 4 1 1 1 3 15 29 6 3 2 1 1 1 1 0 2 5 1 2 3 3 10 10 22 17 4 2 1 1 11 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 87 s 1H | 77 77 s 2H | 76 76 s 1H | 73 72 ddd 2H J 15 76 124 | 72 71 m 2H | 42 41 q 2H J 63 | 38 38 t 1H J 63 | 37 36 m 2H | 31 30 m 4H | 28 28 m 4H | 26 25 t 2H J 57 | 14 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cn(CC(=O)OC(C)(C)C)c2ccccc12
ir: 15 8 5 4 5 4 8 5 9 21 15 4 1 2 6 7 8 6 7 5 6 3 11 5 6 9 9 8 7 13 12 11 4 3 3 1 3 13 6 8 3 13 100 30 13 4 1 4 5 0 5 6 7 3 2 2 1 1 2 2 3 9 7 5 4 3 11 54 7 4 2 4 12 25 80 12 1 1 1 1 1 0 1 2 2 1 2 9 28 7 6 4 0 7 3 2 2 4 4 3 2 7 9 13 5 7 15 18 1 3 4 2 8 8 9 4 1 13 38 47 12 37 9 13 11 42 54 32 47 73 37 34 5 3 2 3 2 5 20 7 4 3 8 4 17 96 21 80 30 11 4 28 35 11 5 38 6 1 1 1 1 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 3 3 7 7 5 3 2 4 4 5 4 3 4 9 7 20 56 67 52 55 49 93 25 57 86 16 8 3 1 3 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1 1 1; 1HNMR: 82 82 dd 1H J 13 70 | 80 79 s 1H | 76 75 dd 1H J 15 63 | 73 73 ddd 1H J 13 62 76 | 73 72 td 1H J 15 70 | 49 48 d 2H J 9 | 26 26 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.
OCCCc1c(F)cccc1Cl
ir: 4 4 3 4 6 5 4 4 6 3 3 3 4 3 3 4 6 2 3 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 4 4 3 3 4 4 4 4 14 81 100 7 0 4 5 3 1 3 5 4 1 4 4 3 2 3 4 4 2 4 5 3 3 4 5 5 4 8 4 4 4 6 4 5 6 6 10 12 16 26 22 22 34 49 27 10 6 18 12 6 6 5 4 3 4 6 4 1 3 6 6 2 6 5 4 3 4 5 4 1 4 4 3 2 4 4 4 4 5 4 3 2 4 8 6 2 3 3 3 3 5 11 38 6 4 4 3 2 4 3 2 2 3 3 2 2 3 4 22 10 4 3 2 2 4 3 2 3 4 3 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 6 5 4 6 7 10 12 9 19 10 4 10 17 10 4 10 19 23 17 11 33 50 19 10 22 15 13 58 60 61 18 22 18 18 22 11 18 8 8 10 6 7 4 8 11 8 8 7 12 7 7 7 6 5 6 5 4 4 4 4 4 4 3 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 73 72 m 2H | 71 70 ddd 1H J 18 75 101 | 36 36 q 2H J 58 | 35 35 m 1H | 30 29 td 2H J 48 94 | 19 18 tt 2H J 59 93
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC/C=C/C(=O)SCCCCCCCCCC
ir: 11 15 6 18 2 8 3 3 4 3 2 1 2 1 0 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 5 5 5 6 11 7 5 2 5 3 3 3 2 1 1 2 1 1 3 2 2 2 2 2 1 1 2 2 2 2 2 1 1 1 1 1 1 2 1 2 2 1 3 9 36 20 31 5 9 54 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 4 5 4 10 8 6 17 17 10 14 34 13 12 13 8 27 28 24 14 9 8 6 2 17 4 11 11 15 5 16 12 3 4 3 9 44 11 8 3 2 2 1 1 1 1 1 1 1 0 0 1 0 0 0 0 1 1 3 11 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 4 6 7 10 10 10 8 6 8 12 7 15 16 100 56 29 6 5 4 2 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 68 68 dtt 1H J 10 55 150 | 61 60 dt 1H J 12 150 | 30 29 t 2H J 65 | 23 22 tdd 2H J 12 56 81 | 16 15 p 2H J 66 | 14 13 m 4H | 13 12 m 20H | 9 9 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1c(Br)cnc(Cl)c1NC(=O)CC#N
ir: 2 2 2 2 2 2 8 4 4 36 20 16 8 12 17 16 66 78 6 9 6 5 6 8 6 4 2 7 10 7 10 49 70 27 8 4 5 6 29 11 3 6 8 21 10 5 7 6 4 5 4 2 7 4 3 3 12 5 14 5 8 24 4 6 3 3 3 4 8 5 2 4 2 5 3 6 6 4 4 2 1 1 2 2 1 7 3 2 1 1 2 3 1 2 3 3 0 9 31 6 5 2 1 2 12 2 1 1 2 2 2 5 6 4 4 4 15 4 7 14 5 22 13 10 15 11 3 5 23 5 2 3 3 1 4 12 31 10 7 4 5 6 17 64 34 12 54 8 91 15 7 6 1 5 42 3 10 36 3 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 1 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 3 3 2 1 1 2 3 3 3 7 26 4 4 3 1 1 2 2 1 1 2 2 1 1 2 2 2 2 7 3 3 5 5 5 6 24 41 93 46 100 17 11 7 6 5 3 3 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 90 90 s 1H | 84 83 s 1H | 57 56 t 1H J 39 | 38 37 s 2H | 36 35 qd 2H J 39 60 | 14 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(N2CCCC(NC(=O)OC(C)(C)C)C2)c1
ir: 13 15 5 5 9 4 2 5 5 5 3 3 5 2 2 2 2 2 3 3 3 4 4 2 5 3 13 12 82 33 9 10 3 2 2 4 2 12 2 2 2 2 2 1 1 3 5 20 8 2 3 2 2 1 1 3 2 2 5 6 3 6 2 2 3 1 5 1 6 4 6 11 7 1 2 2 1 2 3 4 3 3 2 5 1 1 2 2 1 2 4 4 2 3 4 4 4 3 4 7 2 3 3 3 2 4 4 4 6 13 9 9 11 8 18 6 2 6 8 5 2 4 5 2 2 3 9 6 21 6 16 10 1 5 15 11 2 5 3 6 21 8 5 0 6 100 61 47 25 35 19 4 2 3 3 2 2 1 7 2 2 1 2 7 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 3 1 2 3 3 1 1 4 4 2 4 9 32 5 28 29 44 10 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 4 14 85 30 10 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 ddd 1H J 12 22 80 | 74 74 t 1H J 22 | 74 73 t 1H J 77 | 68 68 ddd 1H J 12 22 75 | 47 47 d 1H J 75 | 39 39 s 2H | 39 38 dtt 1H J 36 51 74 | 37 37 dd 1H J 37 123 | 35 34 m 4H | 19 18 m 2H | 18 17 ddtd 1H J 36 61 86 132 | 16 15 dddd 1H J 52 63 92 131 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C=C(N)C1(c2ccc(Cl)cc2)CCC1
ir: 3 6 5 4 7 6 2 6 5 8 11 8 4 7 6 4 5 9 5 3 9 5 3 2 2 2 3 3 6 3 5 8 21 9 16 6 5 14 5 10 19 7 9 6 7 4 3 6 4 4 6 2 9 29 12 9 9 10 6 3 4 3 2 2 3 1 5 2 7 3 3 4 5 3 7 8 9 11 26 15 9 2 1 3 8 3 12 3 3 2 1 2 2 2 1 1 4 6 3 8 5 4 1 2 5 8 4 2 1 1 1 1 2 2 2 2 10 6 3 1 2 2 2 3 3 2 4 5 3 4 2 1 1 3 4 2 1 2 2 2 1 1 2 1 4 10 15 25 4 9 20 21 26 44 18 11 3 2 9 18 19 7 5 3 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 2 3 5 2 2 3 3 4 10 20 45 23 8 6 5 5 2 0 2 2 1 1 2 2 2 1 1 3 5 13 95 8 2 2 1 1 3 1 1 3 18 45 100 23 4 4 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 83 s 2H | 73 73 m 2H | 73 72 m 2H | 45 44 s 1H | 42 41 q 2H J 60 | 23 22 dt 2H J 74 124 | 21 20 dt 2H J 74 124 | 18 16 pd 2H J 25 75 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(CNc2cccc(C#N)c2)C(C)(C)CCC1
ir: 3 13 8 14 12 60 50 5 12 8 9 11 26 37 11 8 9 5 6 3 2 6 7 5 1 6 3 5 2 3 3 5 5 30 16 24 12 8 4 2 1 4 3 0 2 4 12 27 80 10 8 3 3 5 3 1 2 6 4 2 4 6 4 12 4 6 4 17 10 10 5 5 10 9 4 1 4 4 2 4 9 4 3 3 5 3 1 1 3 4 2 25 4 5 0 2 4 3 0 2 5 3 1 2 6 12 50 5 7 3 2 6 13 11 3 3 9 6 14 8 15 10 5 11 11 17 5 5 8 2 3 8 8 6 6 11 8 4 8 7 23 32 15 26 30 8 5 5 6 2 4 6 14 14 15 15 3 2 3 5 11 9 9 7 6 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 2 29 5 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 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 2 1 3 3 1 1 3 3 1 2 3 3 1 2 4 4 1 2 5 5 3 5 4 3 1 4 4 6 11 31 25 14 98 17 7 8 5 4 5 3 2 4 4 2 1 3 5 2 1 3 5 7 5 8 28 20 58 100 96 41 6 5 4 4 3 4 2 2 3 2 3 2 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 3 3 1 1 2 2 1 2 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; 1HNMR: 74 74 ddd 1H J 13 22 64 | 74 73 dd 1H J 63 70 | 71 71 t 1H J 21 | 68 68 ddd 1H J 12 21 70 | 46 45 t 1H J 49 | 37 37 ddt 2H J 10 20 49 | 20 20 ddt 2H J 10 47 68 | 17 16 t 3H J 10 | 16 15 m 4H | 11 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1ccc(F)cc1)NC1CCNCC1
ir: 2 2 2 2 2 1 1 2 7 15 6 2 3 13 5 2 2 2 1 2 3 5 6 4 9 5 14 10 10 5 3 14 17 15 12 4 3 4 16 13 11 9 9 2 3 5 5 20 11 30 9 62 19 48 14 6 59 32 9 7 4 1 2 2 2 3 32 15 25 11 2 2 1 2 3 2 2 2 3 9 3 1 1 1 1 2 13 3 1 1 3 2 1 5 5 7 6 2 3 3 6 4 2 1 0 1 2 2 1 1 3 5 9 19 55 39 26 36 15 8 2 5 3 5 5 8 4 13 50 23 8 1 1 2 2 1 0 2 2 1 1 5 7 4 21 64 17 16 48 27 3 6 6 0 1 2 2 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 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 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 2 1 2 3 3 3 2 4 4 3 2 3 2 6 5 33 7 17 59 8 6 3 3 2 2 1 1 2 2 1 1 2 5 3 3 6 6 17 100 11 4 21 40 22 14 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 74 73 ddt 2H J 9 35 81 | 71 71 m 2H | 63 62 d 1H J 75 | 37 36 m 2H | 36 35 d 2H J 10 | 30 29 dddd 2H J 24 40 50 141 | 28 28 dddd 2H J 24 40 51 141 | 20 19 dtd 2H J 24 51 139 | 17 16 dtd 2H J 24 51 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCCCC(F)(F)C(C)(C)O
ir: 23 10 12 21 10 8 5 3 4 4 4 7 10 3 7 4 10 7 12 11 4 4 6 3 2 3 4 2 2 3 4 8 4 3 4 3 5 14 22 10 11 2 6 3 3 3 4 3 4 1 3 4 2 3 5 6 6 5 3 3 1 5 10 4 13 5 2 4 5 6 3 3 2 3 4 14 25 30 52 27 65 76 30 14 5 4 8 6 25 54 60 45 20 11 6 7 8 4 4 12 10 20 26 20 10 11 19 15 27 37 24 26 38 55 29 41 21 35 33 48 65 14 12 7 12 10 8 4 4 12 23 19 7 7 2 3 6 5 7 2 3 1 1 2 2 0 1 2 2 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 3 1 1 3 6 1 1 2 2 1 3 8 6 11 16 28 34 27 16 15 11 10 14 15 31 81 100 42 22 8 5 6 4 4 4 9 85 78 65 1 4 4 1 0 2 2 1 0 2 3 2 2 2 2 1 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 35 34 t 1H J 36 | 21 19 tt 2H J 79 143 | 15 14 m 2H | 14 13 m 2H | 13 12 m 30H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H]1CC[C@H](OC2CCCCO2)CC1
ir: 1 1 3 2 2 2 2 1 0 1 1 1 1 2 1 0 1 1 1 0 0 0 0 0 0 1 1 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 2 2 1 5 2 0 1 1 2 1 3 4 1 0 1 3 1 1 2 1 1 1 2 3 4 4 5 4 4 13 10 1 1 1 2 2 5 4 8 17 24 13 4 2 1 2 1 1 1 1 1 1 1 1 1 1 3 1 5 3 4 2 2 2 4 2 3 2 1 2 2 2 1 2 3 2 2 3 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 2 2 3 3 4 3 2 2 1 2 1 2 11 8 3 1 1 2 1 1 2 1 5 55 100 12 5 1 2 0 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 48 47 t 1H J 36 | 40 38 m 2H | 36 35 dt 1H J 57 115 | 35 35 ddd 1H J 35 60 112 | 35 34 dt 1H J 57 113 | 25 24 t 1H J 57 | 19 14 m 15H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2ccc(C=O)cc2c1OCC
ir: 3 3 6 6 7 7 5 6 5 3 2 2 1 2 1 3 2 6 6 8 2 2 1 3 2 2 7 2 1 1 1 2 1 1 1 1 1 3 6 2 1 1 1 1 2 3 3 5 6 4 2 5 5 14 80 3 4 10 4 1 1 2 6 3 2 1 2 3 2 2 3 3 3 3 6 8 2 4 2 2 4 8 4 2 1 2 1 1 1 2 8 40 4 2 1 1 1 3 3 4 3 7 5 2 9 4 1 1 2 6 2 3 3 3 4 3 4 5 3 16 6 2 3 2 6 5 4 3 4 5 2 1 1 1 1 1 1 1 1 1 1 3 5 9 8 6 30 7 2 2 4 4 5 4 27 6 3 4 3 2 20 100 5 2 1 2 2 30 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 2 2 5 8 10 6 14 10 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 1 1 1 1 1 1 1 1; 1HNMR: 91 90 s 1H | 88 88 d 1H J 19 | 81 80 dd 1H J 21 81 | 80 79 d 1H J 80 | 43 42 q 2H J 64 | 42 41 q 2H J 62 | 15 14 dt 7H J 63 212
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cccc3c2OC(CNC(=O)OCc2ccccc2)C3)cc1
ir: 12 12 11 5 5 5 26 3 3 4 3 3 2 1 1 4 12 10 3 6 2 3 6 8 15 32 46 45 28 17 18 16 13 11 7 13 15 7 16 37 94 35 10 3 5 16 7 57 3 4 3 3 3 16 30 12 2 4 2 2 2 2 1 1 9 16 10 12 11 25 10 7 5 3 4 4 3 3 4 2 4 5 2 1 1 1 2 12 9 20 17 17 6 2 3 7 5 6 4 7 9 5 2 2 5 4 2 3 3 2 1 2 2 1 1 3 3 2 3 5 13 13 9 13 12 12 4 14 9 6 3 2 2 6 7 15 10 6 11 30 15 7 16 67 48 37 26 20 43 38 7 7 10 4 3 0 4 7 1 1 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 1 1 1 0 1 1 1 1 1 3 4 5 4 2 2 0 4 6 10 3 16 35 61 100 64 46 5 6 5 3 5 5 3 2 1 1 1 1 1 1 1 0 2 2 4 8 25 45 42 18 8 7 3 3 1 1 1 1 0 0 0 0 0 0 1 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; 1HNMR: 75 75 m 3H | 74 73 m 8H | 73 72 t 1H J 80 | 72 72 m 1H | 56 55 t 1H J 65 | 51 51 s 2H | 49 48 tt 1H J 31 48 | 38 37 ddd 1H J 31 64 134 | 35 34 ddd 1H J 31 64 134 | 33 32 ddd 1H J 7 48 154 | 31 30 ddd 1H J 9 48 154 | 24 24 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C/C(=C\[C@@H]1COC(C)(C)O1)CO
ir: 2 2 2 1 2 2 3 4 3 2 1 4 4 3 3 1 2 1 1 1 1 2 1 1 2 2 5 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 2 1 2 4 2 8 4 7 4 4 2 2 2 1 2 5 5 4 3 2 6 5 6 1 2 2 2 4 3 4 5 10 21 100 35 39 12 4 5 5 3 4 3 4 3 4 5 3 3 8 6 4 3 3 1 1 1 1 1 1 1 1 1 1 5 4 2 4 4 3 1 2 4 5 12 6 7 3 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 2 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 1 1 2 2 3 2 2 3 3 4 10 10 14 9 8 4 2 2 2 2 0 29 41 16 7 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 54 54 dh 1H J 11 49 | 45 44 dddq 1H J 9 20 38 57 | 40 40 ddd 1H J 9 18 110 | 39 37 m 4H | 17 17 t 3H J 12 | 14 14 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2c(ncn2C2CCCCO2)c1Cl
ir: 4 4 1 2 4 6 1 5 3 8 3 3 6 7 2 3 4 4 14 8 4 2 1 2 46 2 1 3 4 1 1 4 13 15 5 6 5 22 5 7 4 1 4 9 3 0 2 4 4 8 3 6 4 12 100 48 5 2 4 5 2 0 3 5 2 1 3 5 15 4 5 16 9 2 7 5 1 1 10 24 4 2 3 3 2 2 3 3 2 3 5 5 3 3 6 3 2 6 4 7 6 10 22 26 2 4 5 9 3 3 3 14 35 3 11 6 1 4 14 10 3 4 9 7 8 4 5 2 3 3 5 3 4 10 4 2 1 3 4 2 4 8 35 6 3 5 3 1 2 5 4 1 10 7 4 2 1 3 3 4 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 4 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 2 1 2 4 2 0 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 2 1 3 3 1 2 3 3 2 2 3 3 3 5 10 6 3 5 3 3 2 4 10 61 5 7 29 17 12 6 4 5 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 83 83 d 1H J 7 | 77 77 d 1H J 69 | 76 75 d 1H J 69 | 59 59 m 1H | 39 38 m 1H | 37 37 m 1H | 24 23 m 1H | 21 20 dddd 1H J 29 43 73 132 | 19 18 m 1H | 18 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)CC(=O)OC(c2ccc(-c3ccccc3)cc2)C1
ir: 2 2 2 1 1 1 2 3 2 3 3 3 3 3 2 1 1 1 2 1 1 1 4 3 1 1 1 1 1 4 3 1 1 1 2 1 1 1 1 2 10 15 10 1 1 3 1 0 2 4 3 1 3 4 4 3 5 4 1 0 1 1 1 0 2 1 1 1 3 2 4 1 2 2 1 4 4 9 7 3 2 2 1 1 1 2 3 2 5 4 3 7 3 3 4 5 2 2 2 3 1 2 3 3 2 2 1 2 3 3 1 1 2 2 1 1 1 2 2 5 4 4 3 4 3 2 3 8 4 2 1 4 5 6 10 6 2 2 3 2 2 6 17 8 14 9 2 3 2 2 1 5 4 2 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 2 1 2 3 3 2 2 1 2 3 3 4 13 10 20 23 34 3 5 7 4 4 10 100 8 3 2 2 2 2 2 1 2 1 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 m 4H | 75 74 m 2H | 74 73 m 3H | 56 56 m 1H | 45 45 s 1H | 27 26 d 1H J 176 | 25 25 dd 1H J 59 147 | 24 23 d 1H J 176 | 23 22 dd 1H J 59 147 | 14 13 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1COC(c2ccccc2OC(F)F)OC1
ir: 7 3 1 2 5 1 3 8 4 2 2 1 2 2 2 2 2 11 4 3 4 2 7 2 2 8 3 2 2 4 4 1 1 1 2 0 1 2 2 1 1 18 100 27 12 9 3 10 3 1 1 3 4 6 3 8 3 2 4 26 7 2 5 6 6 5 12 6 7 5 6 8 10 8 83 21 21 62 15 21 7 3 3 4 2 2 2 2 14 10 3 2 3 2 3 4 2 1 1 1 1 2 3 2 2 6 4 3 2 4 5 11 3 4 2 6 2 3 6 12 11 5 4 3 0 1 2 1 1 1 1 1 0 1 1 0 2 16 3 2 3 3 5 11 1 2 2 0 9 32 3 2 1 1 2 1 1 1 1 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 3 2 2 4 2 4 5 12 7 6 16 18 19 6 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 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 1 1 1 0 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: 76 75 ddd 1H J 7 15 80 | 73 72 ddd 1H J 15 75 88 | 72 71 dd 1H J 12 85 | 70 69 td 1H J 12 76 | 66 66 s 0H | 57 57 d 1H J 7 | 39 38 dd 2H J 50 111 | 36 36 dd 2H J 50 111 | 20 19 tt 1H J 50 72 | 15 14 m 2H | 14 13 m 2H | 9 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)COc1ccc(OC/C=C(\c2ccc(I)cc2)c2ccc(SC3CC3)cc2)cc1C
ir: 4 4 4 2 3 3 2 3 3 1 4 7 2 2 2 1 1 2 2 2 1 3 1 1 1 2 5 3 0 3 1 1 1 2 3 3 3 8 4 6 4 1 2 1 1 1 1 1 2 3 2 4 9 25 42 28 5 6 9 5 4 3 2 4 5 3 5 16 21 17 7 3 3 2 2 3 1 0 1 1 2 2 3 8 8 2 3 4 2 4 5 3 2 2 2 2 3 2 2 3 5 4 5 3 1 1 2 1 0 1 1 2 1 1 1 2 1 3 3 3 3 4 7 6 1 3 3 2 3 6 3 2 2 2 1 3 7 3 2 1 2 5 12 9 9 12 13 24 15 14 10 8 4 6 6 3 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 1 1 2 2 2 2 1 2 5 5 8 20 13 45 100 45 24 12 10 2 1 2 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 77 m 2H | 75 74 m 2H | 74 73 m 2H | 73 73 m 2H | 68 67 m 3H | 63 63 t 1H J 45 | 51 50 d 2H J 46 | 47 47 s 2H | 38 37 s 2H | 32 31 p 1H J 47 | 22 22 s 3H | 14 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cc(/C=N/O)cc(C(=O)N[C@H](C)c3ccc(F)cn3)c2)nc1
ir: 1 0 2 3 11 3 2 2 2 2 2 1 1 1 4 1 1 0 0 0 1 3 1 3 1 0 1 2 1 1 1 1 1 1 2 12 2 1 2 3 2 11 4 1 1 0 0 0 0 0 1 1 2 16 5 1 1 1 0 0 0 0 0 0 0 0 0 2 3 5 1 0 1 1 1 8 2 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 1 0 0 0 0 1 6 5 1 1 3 1 0 1 1 1 4 2 2 0 0 0 0 0 0 1 2 4 2 2 2 2 2 3 2 1 3 1 1 0 1 1 4 4 1 4 1 0 0 0 6 24 4 14 3 3 5 1 1 3 1 1 1 0 0 1 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 2 1 7 17 12 3 3 2 2 1 1 100 38 3 0 1 1 1 1 1 1 0 1 1 0 1 5 3 9 9 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 85 85 d 1H J 79 | 85 84 m 3H | 83 83 t 1H J 22 | 83 82 s 1H | 81 80 t 1H J 22 | 77 77 d 1H J 80 | 76 75 m 3H | 52 51 dq 1H J 58 80 | 24 23 d 3H J 9 | 17 17 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(CC2CCN(C3CCCCC3)C2=O)c1
ir: 0 2 3 2 2 6 6 3 1 2 3 2 1 3 2 7 6 2 6 4 4 3 3 2 3 12 8 3 4 7 22 10 3 4 4 5 3 5 4 3 2 4 6 5 4 4 15 29 15 5 3 4 5 4 4 1 3 4 2 2 2 5 2 3 3 4 4 12 15 9 11 2 3 5 3 1 3 4 3 2 3 3 2 1 2 2 1 1 3 5 14 4 5 4 2 2 3 4 5 12 6 2 1 2 4 10 5 7 7 14 16 12 8 6 3 4 3 4 2 3 4 6 8 6 6 4 6 17 7 2 1 2 3 2 3 3 3 7 20 6 12 5 1 3 3 0 1 6 15 53 3 3 6 5 6 18 5 2 2 2 3 7 2 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 2 3 4 6 6 3 3 6 5 6 6 16 12 9 12 100 10 2 3 2 2 2 1 2 2 2 1 1 1 2 1 0 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 72 72 dd 1H J 74 82 | 70 69 ddq 1H J 9 20 81 | 68 67 ddd 1H J 12 21 73 | 67 67 tt 1H J 9 22 | 38 38 s 2H | 35 35 ddd 1H J 56 74 119 | 34 33 m 2H | 30 29 ddt 1H J 9 66 130 | 29 29 tt 1H J 48 66 | 28 27 ddt 1H J 9 68 130 | 23 22 dddd 1H J 48 55 75 123 | 19 18 m 2H | 17 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(NC2CN3CCC2CC3)cc1
ir: 5 10 85 4 2 5 3 4 4 2 2 2 3 3 9 15 5 3 2 2 2 2 2 2 2 2 2 4 2 3 4 2 2 2 2 2 2 3 3 3 32 100 6 4 7 5 14 3 4 16 3 3 2 2 2 2 2 2 4 2 2 2 2 2 2 2 2 2 6 11 3 2 2 2 2 4 2 2 2 14 6 10 5 4 2 1 2 2 1 1 2 2 2 4 2 2 2 6 11 4 2 3 5 9 14 5 3 2 4 3 4 3 4 3 4 3 2 2 4 3 2 2 4 3 2 4 3 7 5 23 3 2 1 4 9 15 2 2 2 2 3 4 4 4 6 6 43 18 5 2 2 3 4 6 10 2 2 3 2 0 4 22 4 3 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 1 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 2 3 3 2 1 13 4 7 34 21 2 5 4 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 4 4 17 79 54 22 14 3 4 5 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 2 2 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 71 70 m 2H | 68 68 tt 1H J 12 70 | 67 67 m 2H | 41 40 d 1H J 71 | 39 38 ddt 1H J 22 45 70 | 31 30 dd 1H J 22 114 | 30 29 ddd 2H J 47 74 120 | 29 28 ddd 2H J 48 74 119 | 28 27 dd 1H J 23 114 | 21 19 m 3H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cc1nn(Cc2ccc(NC(=O)c3ccc(C)nc3)cc2)c2ccccc12
ir: 5 3 4 4 2 2 4 4 2 5 7 4 3 9 4 4 14 2 3 2 2 8 5 5 10 4 6 4 3 4 3 3 2 3 5 1 1 3 8 6 52 9 8 37 21 2 2 0 6 5 5 4 6 4 8 8 9 100 15 3 2 0 1 3 1 1 2 3 13 5 17 3 2 3 5 4 2 5 2 1 1 1 1 1 3 1 2 2 2 2 16 2 2 2 2 4 3 12 8 6 4 5 3 5 12 3 3 2 2 1 1 2 3 6 5 4 2 3 2 3 16 9 12 6 1 5 5 6 6 11 8 3 3 1 0 3 19 10 5 1 1 24 18 4 13 11 34 4 4 23 19 31 17 20 14 6 3 1 1 2 2 7 9 26 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 1 2 2 2 3 5 6 13 20 15 50 26 10 4 4 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 3 9 8 48 9 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 97 s 1H | 88 88 d 1H J 20 | 81 80 dd 1H J 20 79 | 78 78 dd 1H J 15 75 | 76 76 m 2H | 74 73 m 3H | 73 72 m 3H | 55 55 t 2H J 9 | 42 41 q 2H J 66 | 37 37 s 2H | 25 25 d 3H J 7 | 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.
Cc1nc(NC(=O)c2ccccc2)sc1C(=O)NCc1cccc(Cl)c1
ir: 8 3 6 9 4 12 7 15 19 11 7 5 4 3 2 4 8 8 11 3 4 6 7 5 4 4 8 4 4 9 25 19 31 11 5 3 4 2 2 4 5 13 19 4 3 5 15 20 2 4 1 2 3 2 6 2 1 3 1 3 2 2 3 3 3 13 11 7 4 3 4 2 1 2 2 3 12 8 6 4 2 5 7 1 2 3 3 6 1 1 2 3 1 14 5 2 2 13 14 3 1 1 2 6 1 2 1 2 2 2 7 5 2 1 2 3 5 5 6 6 15 9 3 7 10 7 2 3 3 1 2 3 5 14 8 31 4 11 10 37 14 16 14 10 38 27 8 7 4 5 9 3 3 3 10 1 0 1 0 2 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 2 2 0 1 1 3 3 3 6 4 2 7 2 2 3 5 15 34 100 30 19 18 4 4 1 3 2 3 2 1 1 1 1 0 1 3 2 1 1 3 6 10 22 43 17 8 3 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 dt 2H J 11 80 | 80 79 t 1H J 50 | 75 75 m 1H | 75 74 m 2H | 74 72 m 5H | 45 45 dt 2H J 8 51 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc2cnc3cc(OCc4ccccc4)ccc3c2s1
ir: 2 2 2 2 3 6 2 9 12 3 2 2 4 2 2 1 2 3 2 1 2 3 1 7 7 3 2 4 5 3 5 4 6 2 5 2 2 1 17 28 34 15 4 4 2 5 3 9 18 22 5 1 1 3 2 5 9 3 2 1 2 5 5 4 5 4 16 27 25 28 5 2 2 3 1 1 4 3 2 1 1 1 1 0 1 2 1 1 6 22 1 7 3 87 5 2 2 10 3 2 2 6 4 1 2 1 1 2 4 6 8 4 7 5 2 2 3 9 9 7 2 2 2 5 3 2 3 2 3 4 19 13 3 3 5 8 10 2 3 2 2 5 7 72 9 1 3 9 4 3 3 3 8 16 13 9 21 5 27 36 2 0 1 2 1 0 43 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 2 1 1 2 2 2 3 2 3 2 3 2 3 3 8 18 19 29 100 43 27 8 4 3 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 s 1H | 79 78 d 1H J 83 | 74 73 m 5H | 73 73 m 1H | 70 70 dd 1H J 21 83 | 51 50 d 2H J 9 | 30 29 t 2H J 59 | 18 17 qt 2H J 58 73 | 10 10 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N1CC(CO)C(c2ccccc2O)C1)C1(c2ccc(Cl)cc2)CC1
ir: 1 3 3 3 3 4 5 15 3 3 6 2 1 3 6 3 2 2 3 3 3 4 1 1 1 1 1 2 2 1 3 1 1 1 5 2 2 7 4 23 7 6 26 18 11 6 5 2 1 1 3 6 7 1 8 14 13 5 2 1 2 3 1 0 2 2 2 3 2 11 4 1 7 7 3 8 4 4 6 22 48 8 8 5 11 15 8 11 20 29 13 16 10 4 7 3 3 2 3 2 29 8 9 5 3 7 12 8 1 1 0 1 3 1 1 1 3 4 2 4 5 1 6 5 3 2 1 1 1 1 1 1 2 2 3 6 11 27 4 4 1 1 1 5 22 8 28 16 20 48 7 2 13 4 2 1 0 1 1 4 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 2 5 5 7 4 4 2 6 10 100 18 13 11 5 4 3 5 33 5 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 4H | 72 72 ddd 1H J 7 15 83 | 72 71 m 1H | 71 70 ddd 1H J 15 75 88 | 68 67 dd 1H J 14 86 | 56 56 s 1H | 42 41 dd 1H J 22 114 | 39 38 ddd 2H J 26 113 143 | 38 37 ddd 1H J 46 57 114 | 36 35 m 2H | 33 33 m 1H | 30 29 t 1H J 58 | 27 26 dtt 1H J 31 46 75 | 16 15 m 2H | 13 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)c1ccc(Cl)nc1
ir: 1 2 3 9 2 2 2 4 2 2 4 3 2 2 2 2 1 2 2 1 4 15 2 3 2 2 1 3 2 2 2 2 2 1 1 3 3 0 6 100 38 8 11 0 2 4 3 1 1 4 2 0 5 8 2 0 2 3 2 0 1 3 1 1 2 3 1 0 3 9 3 2 3 2 1 1 2 2 2 3 2 2 1 1 2 2 1 2 3 9 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 4 1 2 2 2 1 2 5 7 3 3 2 2 2 2 2 5 4 4 2 2 2 9 6 2 4 6 47 2 1 2 2 2 2 2 2 4 13 25 7 42 12 9 3 1 6 4 4 5 3 14 3 0 1 3 3 42 3 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 5 4 8 8 11 5 2 1 2 2 2 1 2 2 1 1 3 3 5 2 2 2 2 2 2 7 23 20 12 17 3 3 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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: 90 90 d 1H J 19 | 81 80 dd 1H J 19 81 | 74 74 d 1H J 80 | 69 69 t 1H J 42 | 35 34 qd 2H J 42 63 | 13 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ncc(C2CCCNC2)[nH]1
ir: 1 2 2 2 3 2 6 8 1 1 2 1 1 2 8 5 1 1 1 1 1 1 1 1 2 2 1 2 3 2 1 3 5 6 73 44 10 11 4 2 4 4 6 10 31 6 17 5 12 18 6 2 28 46 14 8 14 50 8 5 9 6 9 8 3 2 2 2 5 2 10 21 7 6 19 24 20 9 4 7 7 2 1 1 1 1 1 1 1 3 7 3 3 4 6 11 10 50 8 4 2 4 8 9 11 4 8 12 4 14 100 82 47 24 38 24 17 8 9 6 7 4 4 13 13 3 4 4 4 9 3 3 2 3 3 12 16 7 7 6 4 3 3 3 2 3 2 3 2 2 3 3 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 1 2 2 5 3 9 32 14 13 10 5 3 6 11 8 10 25 41 9 8 31 22 21 10 4 7 10 10 23 26 38 15 8 3 5 5 2 0 12 38 8 4 1 1 2 2 1 1 2 2 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 dd 1H J 17 60 | 68 68 m 1H | 34 33 ddd 1H J 35 46 121 | 33 32 m 1H | 31 31 ddd 1H J 34 46 121 | 29 28 m 2H | 24 23 tt 1H J 38 46 | 21 20 m 1H | 19 18 m 2H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON(C)C(=O)/C=C/c1coc(C)c1
ir: 2 3 5 3 5 7 2 2 2 2 2 3 1 1 2 6 3 4 3 13 18 4 5 2 3 2 2 1 5 7 2 1 1 3 2 1 6 34 3 2 2 2 2 1 1 2 2 3 3 2 2 2 2 2 2 2 2 2 5 2 2 3 3 2 2 2 3 17 8 7 13 2 3 2 3 7 15 5 8 28 43 70 6 3 2 1 2 2 2 2 1 1 1 4 12 3 3 3 10 6 2 2 1 1 3 8 3 4 22 22 4 2 2 2 2 4 3 4 4 8 8 6 7 4 5 5 8 7 9 6 1 2 3 2 3 3 8 16 10 4 2 1 1 2 2 2 3 2 40 100 31 1 1 4 4 32 4 0 2 2 2 1 1 2 1 1 1 4 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 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 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 2 1 1 2 3 4 2 2 2 1 1 2 2 2 3 7 4 6 7 38 24 6 4 15 17 10 5 3 4 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 17 | 74 73 d 1H J 153 | 69 68 d 1H J 152 | 64 63 d 1H J 16 | 37 36 s 3H | 31 31 s 3H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc(Nc3ccc(N)cc3)nc(C)n2)cc1OC
ir: 10 28 16 14 11 18 16 23 14 11 9 6 5 5 4 4 4 5 6 4 5 5 5 5 5 5 5 4 2 2 3 4 5 5 4 32 100 66 6 3 6 7 4 1 2 3 3 1 2 3 3 1 2 5 4 13 18 9 7 4 4 3 6 6 5 23 39 8 8 9 5 5 4 2 2 3 4 12 24 8 3 2 2 2 1 1 1 2 14 12 2 5 3 2 1 1 1 1 0 1 1 2 5 6 24 4 44 2 1 6 3 2 1 2 1 1 2 1 1 4 4 4 4 2 4 2 2 2 3 6 4 3 4 1 2 1 1 2 2 3 2 2 3 8 72 15 19 9 2 25 50 12 15 9 17 10 59 86 42 67 16 3 2 4 6 5 3 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 3 2 2 2 2 1 2 3 3 1 3 4 3 3 4 10 22 11 39 15 8 3 4 3 4 2 1 2 1 2 2 2 1 2 4 36 44 9 4 4 1 6 26 84 43 7 4 79 22 7 2 5 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 s 1H | 76 76 dd 1H J 17 89 | 74 74 m 2H | 73 73 d 1H J 17 | 70 70 d 1H J 89 | 70 69 s 1H | 68 67 m 2H | 40 40 s 2H | 39 38 d 6H J 22 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CNCCNCCOCCNCCN1
ir: 1 1 1 1 1 1 1 1 2 3 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 0 3 3 4 3 9 42 22 37 19 12 7 22 16 0 5 7 7 16 2 18 26 12 13 8 15 84 10 9 13 4 3 3 3 12 5 3 2 5 19 6 1 0 2 2 0 0 2 2 0 0 1 1 0 1 2 1 1 1 5 3 3 4 6 2 0 11 17 41 13 9 10 6 44 41 8 13 10 10 18 12 5 12 6 2 2 3 2 2 1 3 3 2 1 2 5 7 18 20 5 20 6 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 5 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 2 3 4 3 69 100 37 53 28 6 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0; 1HNMR: 36 36 t 4H J 42 | 30 29 p 2H J 48 | 28 28 q 4H J 43 | 28 27 m 12H | 26 26 p 2H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccnc(C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)OC)c1
ir: 8 10 6 3 16 6 4 5 1 3 5 2 2 5 7 9 5 4 7 2 12 8 7 6 5 5 5 4 6 5 4 9 28 10 9 12 9 20 8 3 3 6 3 1 6 10 7 13 6 9 4 4 9 100 37 2 2 4 3 1 3 6 3 2 4 12 10 25 24 5 4 3 6 15 10 7 5 3 3 3 4 4 3 3 5 4 2 2 2 6 16 29 14 21 2 2 8 13 84 63 38 35 15 5 10 6 1 5 26 18 14 4 7 5 2 3 3 4 9 8 9 17 5 5 5 10 6 8 8 7 10 20 6 5 3 9 10 3 2 4 3 4 2 15 21 18 6 20 8 14 17 8 5 27 4 4 3 6 2 4 5 20 9 10 2 1 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 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 0 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 1 2 3 3 2 2 3 3 3 6 6 3 3 3 6 6 5 14 6 20 69 41 12 8 2 4 4 4 1 3 3 2 1 2 3 2 1 2 3 2 1 2 4 4 3 6 8 33 14 8 6 2 1 3 2 1 2 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 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 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3; 1HNMR: 87 87 d 1H J 42 | 80 79 dt 1H J 9 19 | 76 75 ddd 1H J 10 19 42 | 75 75 d 1H J 64 | 74 74 d 1H J 27 | 72 72 dd 1H J 27 64 | 40 40 s 2H | 37 36 s 3H | 28 27 qt 2H J 9 71 | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1ccc(C2CCNCC2)c(Cl)c1
ir: 1 1 0 1 1 4 2 1 1 1 0 1 1 1 1 4 3 2 27 7 2 1 0 1 1 0 0 1 1 1 1 1 1 2 0 2 1 1 3 7 2 1 1 8 2 0 1 3 8 4 1 2 2 3 10 8 18 4 1 1 2 1 1 1 2 7 16 7 1 0 1 2 4 32 1 2 0 0 1 1 1 1 4 3 1 1 2 1 0 0 1 1 1 6 5 1 1 2 1 1 0 1 1 1 1 2 2 2 1 1 2 1 1 2 5 30 25 5 3 4 1 1 1 1 0 4 2 6 4 9 4 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1 2 3 3 3 1 1 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 2 2 2 1 1 1 1 1 1 3 4 4 24 6 1 2 1 1 1 1 1 1 1 1 1 1 3 1 0 2 3 58 100 2 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 d 1H J 20 | 73 72 dd 1H J 20 86 | 72 72 m 1H | 31 31 dddd 2H J 27 38 53 134 | 30 29 pd 1H J 7 62 | 29 28 dddd 2H J 27 38 55 134 | 25 24 p 1H J 38 | 22 21 dddd 2H J 27 54 62 136 | 18 17 dddd 2H J 27 54 62 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(C(=O)O)c(F)c1)c1ccc2c(c1)N(S(=O)(=O)c1cccc(F)c1)CCC2
ir: 5 6 6 5 0 4 9 8 1 13 7 7 14 7 9 5 11 21 15 14 100 52 32 9 11 10 9 3 8 6 9 35 4 6 9 8 6 11 13 4 10 80 22 2 4 6 98 8 4 7 6 5 7 6 14 10 8 8 3 0 4 7 6 2 5 10 7 10 32 15 8 19 9 6 12 4 20 19 17 10 6 10 7 9 8 55 55 14 6 6 5 4 6 21 5 2 5 5 3 2 6 5 3 2 12 14 3 3 7 7 3 8 8 7 0 4 5 5 2 5 7 3 6 5 17 11 9 7 6 3 2 9 5 3 1 6 7 2 3 22 10 21 15 8 50 5 23 12 6 4 12 13 41 10 34 21 6 5 3 4 3 1 5 31 3 0 2 5 3 0 2 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 2 3 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 3 4 3 1 5 5 3 2 3 4 3 5 11 13 27 98 28 12 8 2 7 5 6 3 9 21 4 1 5 6 3 1 4 4 2 1 5 8 10 18 17 7 3 3 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 79 78 dd 1H J 51 82 | 77 77 ddd 1H J 13 23 86 | 76 75 m 4H | 74 73 dd 1H J 20 121 | 73 73 dd 1H J 21 82 | 72 71 dddd 2H J 12 23 77 100 | 41 40 dt 1H J 57 130 | 40 39 dt 1H J 56 130 | 29 28 m 2H | 20 19 tt 2H J 56 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2cc(F)ccc2c(Cl)n1
ir: 2 2 1 1 2 1 2 2 1 1 1 1 2 1 1 1 2 5 4 2 2 1 1 2 2 2 2 8 20 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 19 2 1 1 1 1 2 1 1 2 11 2 1 1 3 2 2 2 1 2 1 1 5 8 100 23 7 3 3 2 1 1 2 2 1 1 1 2 1 1 2 2 3 1 1 1 1 1 1 2 4 2 2 1 1 1 2 6 3 1 1 12 1 1 2 1 0 5 1 2 12 3 3 2 2 2 10 2 1 2 2 1 1 3 9 7 2 1 2 1 1 2 2 0 23 5 1 2 2 1 2 2 2 1 2 1 3 6 3 2 2 9 2 1 1 2 1 1 1 2 1 11 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 2 2 1 3 2 3 2 13 16 14 11 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 81 dd 1H J 50 89 | 75 74 dt 1H J 25 122 | 72 71 ddd 1H J 27 89 103 | 68 68 d 1H J 22 | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCOc1cc(Oc2ccc(F)cc2)ncn1
ir: 9 9 10 10 10 10 11 10 10 13 10 11 9 9 10 10 9 9 9 10 10 9 9 9 9 10 9 10 10 10 11 11 18 15 29 17 29 37 19 16 11 12 11 9 10 10 9 9 10 9 9 10 10 11 26 14 27 14 14 11 11 10 10 9 16 12 25 13 14 15 12 11 14 10 10 10 12 11 12 9 9 9 10 10 10 11 12 15 11 13 12 10 10 9 10 12 10 9 9 9 9 10 9 13 15 11 10 9 10 12 9 9 9 9 9 10 9 9 9 10 10 9 9 10 11 10 9 10 9 9 9 9 9 10 13 10 10 10 10 11 11 92 100 24 16 9 9 27 13 9 8 12 13 8 8 13 12 0 55 1 7 15 10 7 9 11 9 8 9 10 9 8 9 10 9 8 9 10 9 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 11 11 12 14 38 21 26 13 11 13 10 12 10 10 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9; 1HNMR: 84 84 d 1H J 15 | 73 72 m 4H | 61 60 d 1H J 15 | 49 49 q 2H J 26 | 19 18 t 3H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1CCC(C(=O)c2ccc(Br)cc2F)CC1
ir: 1 3 3 4 4 5 4 4 3 3 2 4 6 4 16 5 3 3 3 5 3 12 9 6 10 10 10 8 7 37 7 3 3 3 3 4 5 3 6 5 4 3 2 5 3 2 3 5 4 2 2 2 2 4 40 20 6 2 2 2 5 1 2 3 2 1 38 36 7 17 12 4 3 3 2 2 2 2 1 1 2 2 2 2 3 5 10 4 3 2 2 2 2 1 1 1 1 1 3 8 3 13 9 4 6 9 10 10 8 11 8 8 7 4 3 10 4 8 9 8 3 12 21 11 10 13 13 11 4 3 7 4 26 46 17 7 3 7 7 3 4 3 3 2 0 7 39 100 31 29 23 16 13 3 0 3 1 1 1 2 16 4 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 1 3 2 4 6 3 3 5 4 4 3 8 7 25 15 13 40 13 6 8 6 3 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 dd 1H J 51 82 | 75 75 dd 1H J 22 121 | 75 74 dd 1H J 21 84 | 38 37 ddd 2H J 56 83 123 | 36 35 ddd 2H J 56 83 124 | 33 32 p 1H J 58 | 22 21 ddt 2H J 56 82 126 | 21 21 s 2H | 20 19 ddt 2H J 58 82 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc2c(S(=O)(=O)NCC(=O)O)ccc(O)c2o1
ir: 2 7 19 70 18 5 6 2 2 2 5 3 5 7 1 6 8 6 5 40 3 12 8 3 1 1 1 1 1 3 12 3 2 1 1 2 3 6 5 3 5 2 4 16 6 3 3 2 4 10 2 4 2 6 6 17 8 5 3 6 13 5 3 1 2 9 34 9 2 3 6 7 8 4 3 3 8 5 7 59 10 5 4 11 26 4 18 61 8 22 5 2 1 1 1 1 1 2 5 3 17 13 3 7 12 34 37 47 14 3 4 4 13 1 2 1 1 1 1 2 4 2 2 7 3 2 1 2 2 2 0 1 2 2 2 1 1 1 5 7 3 7 3 54 5 4 1 1 1 3 1 8 1 1 1 0 0 1 3 1 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 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 1 1 1 0 0 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 5 4 3 6 10 12 18 2 2 1 1 1 45 15 1 4 1 0 0 1 1 0 0 2 4 13 100 4 4 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 78 78 m 2H | 77 76 t 1H J 82 | 72 72 d 1H J 113 | 54 54 s 1H | 38 38 d 2H J 81 | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(/C=C/c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)c(C)c1C
ir: 1 4 4 4 2 2 3 3 1 2 1 1 0 1 1 0 1 1 1 1 0 1 1 2 1 3 2 1 1 1 1 0 0 2 1 0 1 2 1 1 1 1 1 0 1 1 2 1 1 1 1 1 2 8 10 8 7 3 4 3 3 2 3 9 9 2 7 4 4 6 5 1 2 2 7 2 2 4 5 3 3 3 4 7 6 18 21 6 6 7 1 3 7 3 6 6 17 2 3 24 7 2 1 1 11 7 21 4 20 4 3 3 3 6 3 13 18 13 16 9 16 10 10 13 6 8 14 4 4 4 11 12 4 4 4 4 4 4 4 6 2 2 2 1 2 13 8 13 2 2 5 9 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 3 8 6 3 1 3 4 3 3 5 4 8 6 11 25 40 31 100 18 19 24 7 4 4 2 2 2 2 1 3 33 51 5 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 2H | 68 68 d 1H J 84 | 67 66 d 1H J 156 | 38 38 s 3H | 36 35 s 3H | 33 33 s 3H | 23 23 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCc1ccc(OCc2ccccc2)cc1
ir: 0 0 0 0 2 1 1 1 1 2 1 2 3 2 3 1 0 0 1 0 0 0 5 1 1 1 0 2 2 9 8 7 5 1 2 1 3 16 5 6 35 12 6 7 1 1 1 1 1 2 0 1 2 4 18 16 4 6 2 1 1 0 1 1 2 4 12 5 2 49 1 0 1 1 0 1 4 1 2 1 1 0 0 0 0 2 2 2 9 2 1 1 1 1 1 1 1 2 4 1 1 0 0 0 1 0 0 1 3 2 0 0 0 0 0 0 0 1 0 1 2 2 1 1 2 2 3 2 0 0 1 0 0 1 2 10 1 1 0 1 1 10 3 21 15 7 9 9 44 4 2 3 6 1 1 1 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 0 0 1 1 1 4 10 8 14 100 42 5 6 4 1 2 1 1 1 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; 1HNMR: 74 74 ddt 2H J 8 15 64 | 74 73 m 2H | 73 73 m 3H | 69 68 m 2H | 51 50 d 2H J 10 | 46 46 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1
ir: 3 2 1 3 7 9 2 3 3 2 1 7 7 10 8 3 3 6 9 9 32 75 60 12 18 11 4 5 6 3 3 3 2 2 2 3 2 1 1 2 2 3 3 4 2 1 1 3 2 1 2 4 3 0 12 21 15 9 4 4 2 1 2 3 5 5 17 3 1 4 4 1 2 4 11 7 3 3 26 38 7 3 2 6 3 3 7 10 14 4 4 3 2 3 4 2 1 1 2 2 1 3 3 2 1 2 2 2 1 2 3 2 2 2 5 17 13 3 15 12 2 5 5 4 3 3 12 11 38 34 3 3 3 2 3 2 2 1 1 3 5 2 52 39 23 9 5 1 1 9 6 9 5 29 31 12 5 3 2 1 1 2 2 3 3 2 1 1 1 2 1 0 1 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 3 4 3 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 2 3 3 1 5 7 6 4 3 3 2 1 4 5 13 17 31 45 21 6 3 5 2 0 3 11 22 100 83 4 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1; 1HNMR: 81 80 m 2H | 76 75 m 2H | 34 34 s 2H | 25 24 t 2H J 63 | 17 15 qt 2H J 63 74 | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1ccc(NCC2CCC2)c(N)c1)S(=O)(=O)c1ccccc1
ir: 2 7 12 7 13 11 17 13 4 14 40 21 22 10 9 12 6 8 5 5 2 3 9 3 3 3 1 3 4 7 16 37 4 3 3 3 2 3 1 8 53 6 5 2 1 3 2 3 4 3 3 2 3 4 10 4 2 6 3 2 2 8 5 4 13 16 6 5 3 3 1 3 4 2 6 4 7 7 8 27 5 1 1 2 26 15 12 13 3 2 2 2 5 2 2 1 3 6 6 1 1 2 2 6 5 9 2 1 2 1 0 1 1 4 4 3 6 3 1 5 14 5 4 1 3 4 7 11 4 2 2 6 13 4 11 6 3 3 5 2 2 1 14 7 2 2 4 4 7 14 31 22 8 5 2 5 5 30 43 5 4 1 1 1 6 2 1 1 1 0 1 1 0 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 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 2 2 1 2 2 2 1 4 5 24 42 18 13 4 0 2 4 2 1 2 1 0 0 1 2 2 3 7 6 43 2 5 6 4 9 31 18 6 7 4 9 100 7 4 4 2 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 tt 1H J 14 74 | 77 77 m 2H | 76 75 m 2H | 67 67 t 1H J 12 | 66 65 d 2H J 11 | 55 55 t 1H J 58 | 46 46 s 2H | 33 33 s 2H | 32 32 dd 2H J 37 57 | 20 19 m 2H | 19 17 m 3H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(OCC(=O)Cl)c1
ir: 3 10 21 16 22 12 16 6 9 6 10 7 4 6 10 8 11 10 9 7 7 8 7 3 3 6 6 5 7 15 14 2 7 15 14 6 3 15 16 5 8 12 13 6 31 57 90 84 26 12 6 1 5 8 5 2 6 10 5 4 4 6 4 2 8 17 15 12 30 15 12 17 20 19 8 1 5 6 2 11 9 12 3 7 8 6 7 4 7 18 17 5 6 5 2 4 7 12 10 13 7 4 2 3 7 4 1 6 6 5 4 4 8 7 5 9 11 12 11 6 15 7 4 7 9 11 18 18 14 10 4 8 11 4 13 13 20 16 17 31 44 32 7 7 5 3 4 5 5 3 3 11 7 6 36 41 11 4 3 9 10 6 3 6 3 1 3 6 3 0 3 6 3 0 3 6 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 5 3 1 2 5 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 4 8 6 2 5 7 5 4 6 7 7 4 9 18 23 9 20 18 52 100 47 22 6 3 5 8 4 2 4 8 3 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4; 1HNMR: 72 71 t 1H J 77 | 69 68 ddd 1H J 12 22 79 | 68 68 m 1H | 68 67 m 1H | 50 50 s 2H | 23 23 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2c(C)oc3cc(O)c(Cl)cc3c2=O)cc1
ir: 13 3 1 1 2 1 1 0 1 0 1 1 2 1 2 3 5 1 2 1 1 1 1 1 1 1 1 1 1 1 4 1 1 1 1 1 4 1 1 1 1 1 1 2 1 3 14 7 2 1 1 3 2 2 5 3 2 2 1 1 4 4 1 3 2 2 2 4 10 17 3 3 2 2 2 1 2 3 1 1 6 3 1 1 1 7 9 2 1 1 1 1 1 1 0 3 1 1 0 1 3 1 4 3 1 1 1 0 1 2 3 1 1 1 3 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 0 1 1 1 1 5 3 1 1 1 2 1 0 0 1 4 2 1 1 6 3 1 11 2 1 1 4 4 1 1 1 1 5 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 1 1 0 0 1 1 0 1 2 3 3 8 27 12 2 2 1 1 0 4 100 13 2 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 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 79 s 1H | 76 75 m 2H | 70 69 m 2H | 67 67 s 1H | 66 66 s 1H | 38 38 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(-c2cc3ccccc3o2)c1
ir: 0 0 1 0 0 2 1 1 1 1 4 3 2 1 2 4 21 5 6 3 8 26 19 24 2 3 1 3 3 2 2 2 4 5 2 11 11 2 1 1 1 1 1 2 2 1 1 3 8 2 1 1 0 1 0 1 1 1 1 0 0 1 1 1 2 1 1 1 1 2 1 1 1 1 1 3 12 12 14 1 5 1 4 4 3 2 5 1 5 2 2 0 1 2 0 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 5 2 5 3 1 0 0 1 2 1 1 2 0 2 4 2 1 1 1 4 1 0 0 1 0 1 3 30 4 3 3 4 5 9 6 1 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 2 4 11 14 16 10 2 2 0 1 1 1 4 8 100 16 2 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 84 84 t 1H J 22 | 80 80 ddd 1H J 12 22 81 | 78 78 ddd 1H J 12 22 93 | 76 75 m 2H | 75 74 m 1H | 73 72 m 2H | 70 70 d 1H J 22
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCN(C)C[C@H]2C)n1
ir: 8 5 3 5 2 4 4 8 8 4 5 2 4 8 3 3 4 9 8 6 16 9 8 5 6 11 11 11 18 10 17 22 19 47 12 17 8 17 11 6 17 45 4 12 11 9 50 28 5 4 5 2 11 4 5 4 2 1 2 5 3 2 2 3 4 4 4 4 5 0 10 3 25 17 3 3 2 4 12 8 6 5 3 2 1 3 2 4 15 9 4 7 3 5 6 3 7 19 27 19 5 6 7 7 11 17 47 10 18 14 9 20 8 8 6 3 8 5 8 14 12 4 2 7 3 4 2 3 5 19 6 7 3 7 5 3 6 9 19 13 10 6 4 3 42 19 11 4 5 100 12 60 6 0 3 5 12 44 13 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 2 2 2 3 2 5 3 2 4 4 3 5 5 11 4 3 3 5 7 27 58 55 40 4 3 2 2 1 1 1 1 1 1 2 1 2 2 5 8 35 53 38 21 8 4 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 94 93 s 1H | 87 87 dd 1H J 45 61 | 82 81 d 1H J 9 | 40 39 m 2H | 38 38 ddd 1H J 38 62 128 | 37 37 ddd 1H J 9 63 128 | 35 34 ddd 1H J 9 63 128 | 31 30 m 3H | 29 28 m 2H | 24 24 s 2H | 23 23 s 2H | 19 18 m 1H | 17 16 m 2H | 16 15 m 3H | 16 16 s 1H | 15 14 m 2H | 13 12 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(OC(C)C)cc2ccccc12
ir: 28 30 11 11 12 11 10 18 48 21 7 5 7 6 7 4 7 3 1 2 3 2 3 5 5 3 4 3 2 1 1 5 3 3 4 4 2 1 2 3 3 31 100 15 5 1 3 7 7 1 3 3 2 0 1 3 1 0 2 7 8 5 3 10 3 4 8 7 21 19 8 4 3 5 4 38 17 5 5 8 10 10 7 6 2 3 5 3 1 1 2 2 3 10 11 7 2 4 6 6 5 2 4 2 3 6 10 8 13 3 13 10 7 4 5 4 3 6 9 12 17 17 6 4 3 4 8 7 4 7 7 2 3 3 4 3 7 13 9 9 3 4 4 7 9 16 15 51 22 19 4 3 8 16 16 1 4 32 9 9 2 6 7 1 1 3 2 0 2 3 2 0 1 3 2 0 2 3 1 0 2 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 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 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 4 2 2 2 1 1 2 2 3 2 3 4 5 6 4 20 43 61 90 82 22 12 8 2 1 2 3 2 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 85 84 m 1H | 78 78 m 1H | 76 75 m 3H | 73 72 t 1H J 21 | 47 46 p 1H J 57 | 39 39 s 2H | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(C#N)(CCC(F)=C(F)F)Cc1c(Cl)cc(C(F)(F)F)cc1Cl
ir: 2 3 2 1 1 1 1 1 2 1 1 1 1 1 1 1 5 1 3 2 14 3 2 3 8 5 3 1 2 2 5 1 2 1 1 8 1 1 1 1 2 3 4 3 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 2 7 25 23 4 1 1 1 1 6 5 1 1 1 1 0 1 1 1 1 1 2 8 4 3 4 2 1 1 1 1 1 5 21 54 5 2 1 1 1 2 1 1 1 3 1 1 1 10 12 31 30 10 4 6 3 6 8 4 3 2 5 100 8 3 2 0 1 1 0 0 1 2 1 1 2 4 2 3 2 2 0 1 1 1 0 0 1 4 1 1 1 1 0 1 1 7 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 9 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 3 10 2 5 4 1 1 3 5 2 1 7 17 15 69 17 3 1 1 1 1 1 0 1 4 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 75 75 q 2H J 9 | 34 34 s 2H | 25 24 m 2H | 24 23 td 2H J 34 50
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
ir: 3 3 5 8 11 5 4 3 8 8 2 6 6 3 1 23 12 40 7 4 4 5 14 7 9 4 10 15 15 33 30 18 17 5 10 21 15 17 37 70 53 29 98 100 43 20 16 7 7 6 7 1 1 1 1 0 1 2 3 2 32 26 10 8 3 4 2 3 6 4 2 2 2 2 5 5 4 6 4 8 8 2 1 1 2 3 9 8 3 7 5 2 2 1 1 4 19 7 2 3 2 2 2 4 9 16 3 3 8 4 17 38 3 5 4 10 8 17 14 5 3 3 4 3 4 5 9 4 7 4 7 13 61 47 18 87 53 8 7 20 22 5 5 8 5 6 4 3 2 26 11 18 93 43 25 100 72 30 5 4 5 43 13 5 1 1 3 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 0 1 0 1 1 0 1 1 1 1 0 1 1 1 1 3 1 1 1 1 2 1 1 1 2 2 3 4 4 17 13 8 9 16 11 6 5 3 1 1 1 2 1 1 1 1 1 1 1 2 1 3 4 2 6 8 11 13 21 53 44 40 35 10 1 4 3 2 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 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 s 1H | 83 83 s 1H | 81 80 dd 1H J 20 40 | 75 74 dd 1H J 20 77 | 71 71 dd 1H J 41 78 | 51 50 p 1H J 60 | 38 38 s 3H | 27 27 s 3H | 16 15 d 7H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)n2cc(/C=C/c3cccnc3)c3ccccc32)cc1
ir: 3 2 1 18 2 2 1 2 9 5 3 15 4 12 16 29 5 2 17 2 1 1 1 1 11 1 4 15 1 2 1 10 3 32 5 3 2 1 1 1 17 2 3 47 7 4 2 0 1 2 1 1 18 31 3 8 2 1 1 1 1 4 2 1 10 10 34 7 2 6 15 2 2 1 1 1 23 7 5 2 9 3 1 2 10 1 2 2 19 3 1 2 3 14 58 5 18 5 1 2 4 27 12 1 1 0 1 1 0 1 1 2 8 6 6 12 4 2 2 6 2 11 5 4 15 7 13 11 1 1 1 2 2 4 0 2 2 5 17 9 3 1 2 5 4 8 11 11 1 11 12 5 9 6 9 5 1 1 6 1 3 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 2 1 1 1 1 2 2 1 1 2 4 5 9 7 19 34 32 69 13 100 6 9 4 4 1 2 2 2 1 1 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 t 1H J 17 | 85 84 ddd 1H J 13 20 37 | 81 80 dd 1H J 13 80 | 78 77 m 5H | 76 75 ddd 1H J 11 64 76 | 74 73 m 2H | 73 72 m 4H | 24 24 d 2H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(OCCI)c1
ir: 9 14 11 11 9 15 17 6 6 5 3 4 4 4 5 5 4 9 11 7 8 9 3 3 3 3 3 5 3 17 87 22 10 2 4 4 4 11 2 5 3 2 3 4 3 2 4 13 7 3 5 5 5 2 2 4 2 3 3 3 3 0 10 24 6 5 9 16 18 14 15 8 5 3 3 4 6 7 9 5 9 5 3 4 7 2 4 3 2 2 3 3 3 3 5 10 13 2 4 3 3 5 4 5 2 6 8 4 2 3 3 4 7 10 12 19 57 35 21 11 4 3 4 5 8 3 7 11 10 14 4 3 3 3 4 3 3 7 11 17 10 7 5 2 6 8 74 15 6 4 3 2 10 16 3 2 2 10 3 2 2 5 11 4 3 4 3 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 4 3 3 4 11 7 5 4 4 4 5 3 5 13 24 14 31 100 44 12 4 5 3 4 2 2 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 77 76 ddd 1H J 10 21 79 | 75 74 t 1H J 19 | 74 73 t 1H J 80 | 70 69 ddd 1H J 9 17 81 | 44 44 t 2H J 44 | 39 39 s 2H | 35 35 t 2H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(CN2CC=CC2)nc2c1oc1ccc(Br)cc12
ir: 2 2 3 3 3 2 6 2 2 2 2 3 6 3 3 6 2 3 3 2 6 3 18 14 7 3 3 3 3 4 3 2 2 2 3 5 3 2 2 2 2 2 3 3 3 3 3 10 6 12 40 9 9 18 11 4 3 3 3 2 2 3 2 3 3 3 7 6 3 2 2 2 2 2 2 3 3 7 11 9 4 3 2 2 8 2 4 3 3 3 3 4 7 3 3 3 3 4 6 3 3 2 4 2 2 2 2 2 2 2 3 3 3 4 2 4 2 4 2 4 2 3 2 6 3 3 3 4 2 2 2 2 2 3 3 7 10 18 4 3 3 7 5 3 3 14 3 5 3 3 6 4 3 3 2 2 2 3 3 0 100 3 22 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 3 3 3 8 8 15 10 8 6 5 2 3 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 5 5 5 3 25 9 6 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 81 d 1H J 26 | 76 76 dd 1H J 26 84 | 76 75 d 1H J 84 | 60 59 p 2H J 15 | 36 36 s 2H | 33 33 t 5H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cccs1
ir: 5 12 48 11 8 4 5 6 6 2 3 4 7 13 3 9 4 2 6 4 2 3 4 5 9 12 4 12 7 8 10 3 1 2 1 4 6 6 4 7 7 6 8 4 20 26 57 42 18 6 7 5 3 6 25 21 12 9 9 3 4 4 4 4 4 4 2 6 6 8 24 33 20 16 72 12 4 3 8 22 21 88 42 7 5 7 1 36 26 9 3 2 2 7 10 12 9 5 3 2 27 2 1 2 2 7 15 15 5 2 1 2 7 10 6 8 5 17 14 13 21 13 17 4 8 40 6 5 4 4 38 53 49 16 77 18 11 13 4 2 3 3 14 26 29 15 6 4 7 7 93 51 39 9 2 2 3 2 3 24 13 2 1 1 1 0 1 1 0 3 8 2 1 1 10 3 1 0 0 1 1 5 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 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 3 1 1 1 1 1 2 1 1 16 8 5 4 3 2 4 6 12 9 22 48 66 100 40 19 5 8 6 4 3 7 7 48 33 12 25 17 3 3 2 10 5 6 4 10 13 13 16 5 5 3 3 2 1 1 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 87 m 2H | 85 84 t 1H J 61 | 80 79 m 2H | 78 77 m 2H | 72 71 dd 1H J 54 65 | 48 47 d 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1
ir: 5 5 5 4 4 6 5 3 4 4 4 5 7 9 6 4 3 6 5 5 5 5 8 5 4 4 6 6 6 7 4 6 9 9 5 4 4 5 7 5 5 7 8 8 42 17 5 11 6 8 5 3 9 10 46 36 8 5 6 3 5 6 8 5 7 6 8 4 4 5 5 4 3 3 3 3 4 4 4 3 6 4 3 4 10 5 6 5 6 10 5 3 5 5 4 5 5 5 12 11 20 4 8 4 4 4 2 3 6 4 0 6 100 5 9 9 3 5 7 6 6 6 7 8 8 4 12 10 6 4 4 4 4 4 4 3 3 14 4 4 3 5 5 5 12 40 12 9 11 14 8 4 8 7 5 7 4 3 3 4 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 3 4 3 4 3 3 3 4 4 5 9 9 4 17 63 8 9 5 4 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 5 5 6 7 7 17 11 6 6 5 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 80 79 t 1H J 57 | 78 77 dt 1H J 8 19 | 76 76 dq 2H J 15 75 | 75 74 dt 2H J 9 71 | 72 72 ddt 1H J 9 20 77 | 70 70 d 1H J 77 | 46 45 dt 2H J 9 57 | 38 38 s 3H | 37 36 s 3H | 29 28 t 2H J 9 | 13 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(F)c(Cl)c1
ir: 6 4 3 5 6 4 3 6 11 5 4 5 6 5 4 6 9 6 4 5 5 4 4 5 5 6 37 6 7 4 4 6 5 8 29 59 57 4 5 6 5 3 4 6 5 3 4 6 5 3 5 6 7 4 11 11 5 3 4 6 4 3 5 5 5 6 7 54 40 5 6 6 4 4 5 7 4 5 8 6 4 4 9 6 3 12 7 5 4 5 12 7 4 4 7 7 23 6 5 5 3 4 5 5 4 5 6 5 14 18 7 5 3 5 7 5 3 6 14 7 4 6 10 12 0 29 91 17 7 8 6 4 4 5 6 5 4 6 6 31 6 25 21 6 5 5 7 6 5 11 37 5 6 7 7 4 4 5 5 4 4 5 5 3 4 5 5 3 4 5 4 3 4 5 4 3 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 7 5 5 5 4 4 5 5 4 5 6 6 5 7 16 21 12 15 67 100 7 6 7 5 4 5 6 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 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 3 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 79 78 m 2H | 73 72 dd 1H J 81 102 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc1
ir: 2 2 1 3 6 2 2 3 3 3 1 1 1 2 1 4 4 1 1 1 1 2 3 2 4 3 2 8 10 5 8 4 5 11 13 7 24 23 21 8 18 19 13 6 25 20 4 5 3 3 1 4 9 11 7 7 3 1 3 3 2 3 2 3 3 0 2 2 8 15 10 4 2 1 3 4 1 0 2 2 1 1 1 2 2 1 2 8 1 1 6 6 3 3 3 4 2 2 2 2 0 4 4 4 5 4 3 3 0 6 3 2 1 1 3 1 0 1 4 5 6 4 8 5 8 6 5 2 2 2 3 1 1 5 8 4 10 6 3 6 3 5 6 5 9 100 50 14 12 14 10 18 10 3 1 0 1 4 2 7 8 2 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 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 1 0 1 2 1 0 2 3 5 3 6 4 8 11 51 80 22 8 6 5 4 2 2 2 1 1 1 1 1 1 2 1 1 1 2 3 5 16 15 34 24 8 6 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 83 m 1H | 75 75 ddd 1H J 10 26 77 | 73 72 m 6H | 67 67 d 1H J 86 | 51 51 m 1H | 28 27 dddd 1H J 8 59 72 100 | 24 23 ddd 1H J 62 71 101 | 23 22 d 3H J 10 | 18 17 ddd 1H J 60 73 88 | 17 16 d 3H J 58 | 15 15 ddd 1H J 64 71 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCc1ncc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)s1
ir: 2 6 4 6 8 8 25 22 13 8 7 8 6 7 9 14 46 14 51 54 23 12 13 8 5 18 8 6 8 8 19 20 9 6 6 2 7 17 9 5 7 23 23 13 11 6 22 29 58 46 13 9 6 4 10 55 63 12 11 7 3 5 3 2 3 6 8 33 8 9 4 4 5 6 6 3 13 24 28 66 13 5 14 10 18 17 8 6 3 2 5 7 21 23 30 7 7 8 56 73 31 17 15 14 63 60 5 4 4 3 3 5 5 21 25 7 6 7 3 5 5 7 7 23 19 7 22 30 12 5 3 3 3 4 2 2 2 4 7 5 3 22 17 29 60 20 6 58 6 26 40 58 100 51 47 14 13 2 4 6 3 1 14 20 7 2 3 4 2 0 2 4 2 0 2 3 2 1 2 3 1 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 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 3 3 1 2 3 3 3 3 3 4 2 3 4 4 13 8 14 36 35 18 21 9 10 6 6 4 5 57 45 6 2 3 4 3 2 3 3 4 4 6 15 73 71 45 29 7 3 5 3 2 2 2 2 1 1 2 2 2 2 3 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 1 2 2 1 2 2 2 1 2 2; 1HNMR: 87 86 s 1H | 86 85 s 1H | 79 79 t 1H J 21 | 78 78 s 1H | 78 77 m 2H | 76 75 m 2H | 75 74 ddd 1H J 13 21 77 | 74 73 dd 1H J 76 103 | 73 72 ddd 1H J 13 22 102 | 33 32 t 2H J 82 | 28 27 t 2H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)OC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C
ir: 4 3 6 6 11 11 32 12 5 4 4 3 1 1 2 6 2 2 2 1 1 3 3 2 1 2 3 1 0 0 1 0 1 2 6 12 8 31 4 1 1 1 1 1 3 2 1 2 10 9 3 2 2 3 16 19 8 26 23 9 15 17 3 6 3 4 5 10 11 5 17 36 72 45 13 8 4 17 5 2 3 2 1 2 3 12 25 70 100 45 18 8 5 1 4 3 3 4 7 12 16 22 19 10 9 4 2 1 6 1 1 1 1 2 2 3 10 5 13 15 15 20 13 7 7 4 3 5 5 10 10 7 4 3 1 2 1 2 1 2 1 4 57 2 1 1 1 1 1 1 11 2 8 7 1 2 1 0 0 1 2 3 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 2 2 2 9 3 2 1 1 1 1 2 3 3 3 5 21 32 24 52 31 70 20 6 4 1 2 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 d 1H J 21 | 71 70 dd 1H J 21 83 | 69 69 d 1H J 83 | 56 56 hept 1H J 15 | 32 31 s 3H | 16 15 m 9H | 13 13 s 3H | 13 12 s 3H | 9 8 t 3H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1n[nH]c(C(N)=O)c1[N+](=O)[O-]
ir: 5 8 6 6 6 8 6 4 4 6 4 10 6 3 5 9 18 14 9 12 5 13 9 7 5 6 6 5 2 4 10 5 8 27 57 45 10 5 5 5 4 5 3 4 35 100 50 14 5 0 3 5 4 5 11 11 6 2 4 6 3 2 3 4 3 2 3 3 2 2 3 4 3 2 3 6 6 4 3 4 4 4 5 3 3 3 4 3 7 20 15 6 4 4 4 3 2 4 6 8 8 6 4 3 2 2 3 3 2 3 4 4 12 7 4 4 4 4 6 5 6 8 11 20 18 13 6 3 3 3 3 2 2 3 4 4 3 4 5 12 25 6 8 18 16 22 7 3 3 3 5 18 28 5 3 3 6 11 22 35 14 6 3 3 3 2 2 2 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 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 3 3 3 4 3 4 5 4 4 4 3 3 3 5 9 4 3 3 2 2 3 3 3 2 2 3 2 2 2 3 2 2 3 4 8 11 10 3 3 3 3 5 8 13 56 86 6 14 40 24 4 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 97 96 s 1H | 74 74 s 2H | 30 29 t 2H J 65 | 19 18 qt 2H J 65 79 | 10 10 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(F)c(F)c2)C1
ir: 18 10 5 4 5 3 4 2 2 6 7 5 6 6 4 2 2 2 5 4 3 9 6 7 12 11 18 18 42 29 41 17 10 15 10 8 4 8 6 2 2 2 2 0 2 2 2 2 1 4 3 4 6 6 69 2 5 5 6 3 4 4 8 8 9 5 41 40 5 9 1 1 3 8 2 0 2 3 1 0 2 2 1 1 2 2 2 5 3 15 1 5 7 7 8 2 4 7 4 7 6 3 4 3 8 15 1 3 6 6 10 4 10 10 2 5 6 4 3 10 8 7 8 9 6 7 6 11 6 19 20 16 11 3 1 3 3 1 1 3 3 2 18 13 100 49 8 7 8 25 36 9 4 4 23 5 5 3 2 3 2 1 3 31 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 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 3 3 3 4 2 3 3 3 4 4 5 4 7 10 16 26 26 32 22 12 4 5 3 4 2 1 2 2 4 4 2 2 2 1 2 2 1 0 3 4 23 76 74 33 8 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 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 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 72 72 m 1H | 67 66 dddd 2H J 22 34 119 160 | 45 44 m 1H | 44 43 d 1H J 75 | 38 37 m 1H | 36 35 m 2H | 35 34 m 1H | 20 20 dddd 1H J 23 53 75 126 | 18 17 dddd 1H J 40 52 71 126 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Oc2ccc(C3CCCN4CCS(=O)(=O)N=C34)cc2)ccc1Cl
ir: 1 9 19 23 11 9 48 47 8 37 75 19 12 19 19 14 10 10 18 15 5 12 10 2 3 8 8 3 2 10 8 3 3 9 10 5 7 16 12 3 6 12 10 0 3 9 9 4 5 12 8 5 15 35 74 73 52 1 12 7 15 7 7 4 12 43 20 24 28 78 9 5 14 30 4 4 7 11 28 9 10 10 11 12 37 21 57 92 23 13 7 8 9 15 6 5 12 9 6 5 10 9 9 37 60 15 1 10 12 8 1 12 12 13 12 9 13 13 4 11 14 6 4 13 46 24 9 25 19 22 6 17 18 31 39 21 16 5 3 8 12 4 2 7 10 15 100 59 94 19 14 9 36 32 12 7 6 3 4 6 7 14 10 8 5 2 4 7 4 1 4 7 4 1 4 8 4 2 5 7 4 2 5 7 3 2 5 6 3 3 5 6 3 2 5 6 3 2 6 6 2 2 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 3 2 5 7 3 2 5 6 3 2 5 6 3 3 5 6 3 3 6 6 2 3 6 6 3 3 6 6 2 4 8 5 2 4 8 12 22 16 9 9 4 11 11 10 6 42 53 33 69 51 6 11 4 6 9 6 3 5 6 3 3 5 6 3 3 5 5 3 2 5 6 3 3 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 1 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 6 5 2 3 6 5 2 4 6 5 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 74 73 d 1H J 86 | 72 71 m 2H | 69 69 m 2H | 69 68 dd 1H J 23 87 | 65 64 d 1H J 23 | 39 39 s 2H | 38 37 m 2H | 37 36 tt 1H J 8 58 | 35 34 m 3H | 34 33 ddd 1H J 31 57 112 | 22 21 ddt 1H J 58 84 126 | 20 19 ddtd 1H J 31 58 87 125 | 19 18 ddt 1H J 58 86 126 | 18 17 ddtd 1H J 31 57 87 124
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.