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DeerEyeRain
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CS(=O)C1c2ccccc2COc2ccc(C(=O)O)cc21
ir: 5 2 1 9 4 3 1 3 9 5 6 9 14 6 0 11 6 6 2 5 13 96 100 37 8 4 3 8 5 3 2 5 5 2 3 6 4 1 3 9 10 1 8 9 2 2 2 4 2 1 2 5 3 3 9 17 2 0 3 4 3 1 3 5 3 5 5 4 8 10 7 6 4 3 7 13 9 29 14 5 6 3 4 3 1 2 11 16 9 4 7 10 5 13 4 5 1 1 3 3 1 2 4 3 1 2 3 2 3 4 4 5 5 7 6 8 8 5 6 3 1 3 4 2 0 3 4 3 1 9 5 1 1 3 4 1 4 10 13 4 2 11 10 9 5 3 5 2 7 7 4 11 9 5 3 2 2 5 3 1 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 1 3 5 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 3 1 2 4 4 2 4 8 15 7 25 31 18 7 5 4 3 3 4 3 31 64 69 26 2 1 3 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 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 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 82 82 dd 1H J 7 20 | 78 78 dd 1H J 20 86 | 73 73 m 2H | 73 72 td 1H J 18 74 | 72 72 m 1H | 70 69 d 1H J 88 | 52 51 m 2H | 51 51 dd 1H J 7 134 | 26 26 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)NCC1(O)CCN(Cc2ccccc2)CC1
ir: 5 6 1 1 2 1 2 2 2 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 1 1 3 3 8 4 7 16 10 8 1 1 1 1 3 1 3 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 2 0 0 1 2 3 2 2 3 2 5 18 8 4 1 1 1 1 1 2 2 0 0 0 2 1 2 0 0 1 6 1 0 5 2 1 1 2 2 1 1 1 1 1 0 0 0 0 0 1 1 2 0 1 2 1 2 2 2 1 4 3 2 2 2 3 1 2 1 1 4 3 3 1 1 1 1 1 1 4 10 4 8 6 1 3 23 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 0 1 1 1 5 2 2 10 5 2 1 1 1 2 7 100 16 3 1 0 1 0 0 0 0 0 0 0 0 0 2 7 7 6 3 1 1 0 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 5H | 54 54 t 1H J 64 | 41 41 q 2H J 63 | 35 35 d 1H J 10 | 34 34 d 2H J 62 | 33 33 s 1H | 30 29 ddd 2H J 33 60 125 | 28 27 ddd 2H J 33 60 123 | 20 19 ddd 2H J 32 59 139 | 17 16 ddd 2H J 31 59 137 | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)[S@@](=O)/N=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
ir: 1 2 3 3 4 1 1 1 2 1 3 2 1 2 2 1 28 23 5 4 1 1 1 0 0 0 1 2 1 1 1 0 1 1 1 0 0 1 1 4 1 1 1 2 4 1 0 1 1 1 1 3 13 4 25 9 4 8 5 1 1 4 1 0 2 1 5 13 4 2 1 2 1 1 0 0 0 1 0 0 0 1 0 0 1 3 3 1 1 1 0 1 2 1 0 1 3 2 15 20 2 3 6 2 1 1 0 1 4 5 5 11 100 5 2 1 1 2 3 2 3 4 3 4 10 5 1 3 5 6 5 1 0 1 1 0 0 0 1 1 2 3 5 8 56 5 2 3 7 11 2 2 5 3 1 3 3 1 0 0 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 2 2 4 7 9 4 33 17 15 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 80 80 m 2H | 78 77 m 5H | 77 76 dq 2H J 14 110 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1n[nH]c2ncc(-c3cncc(C(=O)O)c3)cc12
ir: 7 6 6 6 5 10 5 9 9 6 7 7 8 7 8 8 10 7 6 9 11 0 100 12 5 18 7 7 7 7 7 11 9 11 40 7 7 18 9 15 46 53 19 10 18 11 10 6 6 7 6 5 6 9 7 6 7 7 6 5 6 7 6 9 13 8 6 6 13 8 8 7 6 7 14 7 7 7 32 13 22 11 8 7 12 7 7 11 9 7 6 6 7 8 4 12 6 6 8 22 15 6 10 7 6 6 6 6 6 6 6 8 16 7 6 12 12 8 11 15 7 6 6 8 8 7 7 16 7 6 7 6 6 6 7 5 8 18 21 7 7 7 17 7 8 28 18 9 8 10 6 7 10 12 10 11 12 8 14 8 18 7 6 7 6 5 6 6 6 5 6 7 6 6 7 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 8 6 6 6 6 6 6 6 6 6 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 9 7 7 8 9 13 51 33 10 7 9 6 3 8 13 94 79 7 2 7 9 5 5 7 7 5 5 7 7 6 6 9 17 62 9 7 7 6 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 6 7 6 6 5 6 6 5 5 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6 6 5 6 6; 1HNMR: 91 91 t 1H J 17 | 90 90 t 1H J 16 | 88 88 d 1H J 16 | 86 85 t 1H J 16 | 82 82 d 1H J 18 | 78 77 dd 1H J 12 86 | 74 74 td 1H J 13 76 | 72 72 ddd 1H J 12 75 86 | 69 69 dd 1H J 12 77 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(C(=O)O)c1cccc(-c2cccc(Cl)c2Cl)c1
ir: 2 2 1 2 2 2 2 2 3 3 2 5 10 16 19 9 9 14 39 39 43 63 28 16 12 9 4 3 3 4 5 5 16 5 2 2 4 2 2 2 2 2 2 3 3 4 8 23 9 2 3 3 3 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 3 3 4 3 3 3 8 7 15 19 41 27 8 6 14 9 7 8 4 4 4 2 3 4 2 6 3 2 2 2 2 2 3 6 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 3 5 8 6 4 4 3 3 5 2 3 3 2 2 1 2 4 0 20 3 4 5 7 22 11 5 2 4 2 2 2 2 4 7 2 3 1 2 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 2 3 3 3 2 2 5 8 34 16 8 3 3 2 1 3 6 61 100 28 4 3 3 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 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 td 1H J 7 21 | 76 75 m 2H | 75 75 ddd 1H J 13 21 77 | 75 74 dd 1H J 12 80 | 74 73 ddt 1H J 9 20 79 | 73 73 m 1H | 45 45 t 1H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCCC1CCCc1ccccc1N
ir: 9 8 2 4 7 6 8 5 6 4 3 5 1 5 4 2 3 2 1 2 2 2 1 1 1 3 1 1 2 1 3 2 3 3 3 1 2 1 1 2 5 11 35 39 3 2 2 2 2 1 2 2 1 1 5 3 1 1 2 2 1 2 1 1 1 1 1 3 6 2 2 1 2 1 4 7 2 5 3 2 1 1 2 7 18 3 7 2 5 4 1 5 6 3 2 1 3 1 2 4 3 4 5 3 3 1 2 2 3 3 2 6 2 1 2 3 2 2 2 3 2 2 1 2 1 2 1 1 2 2 2 2 2 3 3 1 2 5 3 1 1 1 2 1 1 1 1 1 1 8 4 2 5 21 10 8 49 8 3 3 18 11 2 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 1 2 2 2 10 10 4 3 13 9 2 3 2 1 1 1 1 1 1 1 1 1 0 1 1 2 6 26 1 1 0 1 1 0 1 3 4 1 20 100 13 2 3 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 71 70 ddt 1H J 8 19 74 | 70 68 m 2H | 66 66 dd 1H J 17 74 | 35 35 s 2H | 28 26 m 3H | 26 25 m 1H | 24 23 m 1H | 23 23 d 3H J 15 | 18 14 m 10H | 14 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1ccccc1)n1cc(-c2cnn(CCN3CCOCC3)c2)c2ccc(F)cc21
ir: 4 3 9 10 5 4 3 3 2 4 16 10 16 28 22 54 7 2 5 1 3 21 0 6 9 5 2 3 5 25 23 6 7 7 12 3 5 43 4 13 40 10 4 4 5 2 2 1 1 2 3 8 17 25 4 7 3 15 5 10 4 11 31 25 44 25 15 10 15 9 11 46 37 7 4 3 4 9 13 6 32 4 2 3 54 23 61 6 4 4 9 8 24 7 11 5 5 7 23 9 22 5 5 3 3 2 1 2 2 3 1 2 5 4 2 2 7 32 2 3 8 12 13 4 6 2 2 3 7 2 3 4 5 8 10 18 11 5 4 3 2 3 26 5 4 14 11 3 2 7 27 2 11 11 12 19 6 4 4 3 2 1 1 14 3 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 5 2 3 3 3 3 2 2 5 2 17 23 10 100 47 12 39 7 8 23 8 3 4 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 dd 1H J 49 79 | 80 80 s 1H | 78 78 m 2H | 77 76 ddt 1H J 15 72 87 | 76 75 m 2H | 75 74 m 2H | 74 73 s 1H | 72 71 ddd 1H J 21 78 100 | 42 41 td 2H J 8 36 | 37 36 m 4H | 29 28 t 2H J 38 | 25 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(-c2cccc(NCC3CCOCC3)n2)c(Cl)cn1
ir: 21 9 6 10 8 4 8 14 15 11 10 10 12 6 2 8 19 18 7 7 6 6 6 9 6 6 10 12 8 4 3 7 7 8 11 13 14 18 5 8 7 2 3 7 5 1 24 100 90 9 5 7 5 0 4 7 4 2 5 9 5 2 5 7 6 6 10 19 14 10 6 7 4 4 12 11 8 8 10 8 10 5 7 10 2 3 5 5 1 2 5 12 6 3 10 7 2 3 5 4 2 3 8 9 7 14 15 13 5 10 10 4 1 4 7 4 1 4 7 10 4 12 9 7 2 7 7 4 3 8 6 4 4 12 25 14 16 14 24 19 28 9 6 22 14 7 5 3 5 6 6 3 9 5 15 19 18 70 38 3 6 7 5 1 3 5 3 0 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 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 4 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 3 4 5 3 3 5 5 2 3 6 4 2 4 6 4 3 5 11 9 9 12 38 38 14 7 7 4 2 5 5 3 2 3 5 3 2 4 4 3 3 5 8 9 21 15 86 53 6 14 7 3 3 6 5 2 2 5 4 1 3 5 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1; 1HNMR: 85 84 d 1H J 44 | 78 77 t 1H J 75 | 77 76 dd 1H J 13 73 | 75 74 d 1H J 121 | 66 65 m 2H | 37 37 ddd 2H J 29 57 111 | 35 34 m 4H | 20 19 dtd 1H J 51 59 108 | 19 18 dtd 2H J 29 58 144 | 16 16 dtd 2H J 29 58 144
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=[N+]([O-])c1cc(Cl)c(Sc2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c1
ir: 6 6 4 3 2 2 2 2 2 1 1 1 1 1 2 2 3 3 2 2 30 3 2 3 6 29 7 1 1 1 2 2 1 1 1 1 2 4 2 1 1 2 1 1 1 1 1 1 1 2 2 6 28 17 10 8 3 2 1 1 1 2 2 1 3 6 20 100 15 12 3 2 1 1 1 2 1 1 1 1 1 1 2 1 2 18 2 5 6 13 2 2 2 6 11 2 1 1 15 41 6 3 4 8 7 5 1 2 1 2 11 50 20 2 0 1 3 2 1 2 3 3 1 19 70 41 9 2 1 2 4 25 2 2 2 1 1 2 1 1 2 1 3 2 1 2 1 1 2 37 1 2 2 27 3 2 2 2 2 3 26 4 3 1 1 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 2 1 2 1 1 1 3 3 1 5 4 2 5 25 64 17 17 5 6 3 3 2 1 2 2 2 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; 1HNMR: 82 82 m 3H | 81 81 d 1H J 107 | 77 76 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCn1sc2nc(-c3ccccc3)ncc2c1=O
ir: 13 12 5 11 13 14 14 7 8 6 5 9 13 10 7 26 26 21 19 32 11 5 4 9 15 8 6 6 12 16 19 8 6 6 6 6 7 7 19 15 23 61 7 11 9 4 5 6 7 8 10 15 55 6 7 7 5 4 6 22 8 10 7 12 26 13 9 12 10 6 10 8 6 8 8 7 4 5 9 7 7 7 14 34 10 6 8 19 16 5 11 11 7 14 25 9 5 7 9 9 7 10 9 10 10 9 7 6 5 24 8 7 7 8 10 8 0 32 7 6 7 8 10 12 7 7 15 29 27 18 12 6 6 6 15 11 6 9 100 66 4 9 15 28 52 23 20 10 6 5 6 7 8 90 36 4 5 5 5 4 5 14 5 3 4 5 4 4 4 5 4 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 3 4 5 4 3 4 6 4 3 5 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 5 5 6 5 6 7 6 5 4 6 6 7 5 7 10 16 18 25 41 13 7 8 7 5 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 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; 1HNMR: 93 92 s 1H | 84 84 m 2H | 76 75 m 3H | 40 40 t 2H J 58 | 30 30 t 2H J 58 | 26 26 q 4H J 69 | 11 11 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CC[C@@H](c2ccc(-c3cnc(-c4ccc(C#N)c(F)c4)nc3)cc2)CC1
ir: 0 4 6 3 0 4 6 4 1 6 8 3 2 5 7 7 8 9 10 6 2 6 6 3 1 8 14 21 37 7 7 3 4 10 12 10 7 43 100 18 5 7 7 9 11 7 5 1 3 7 6 5 18 12 9 7 11 19 12 3 5 9 4 1 4 7 5 13 26 9 6 1 4 6 5 2 4 6 3 2 4 4 2 2 5 5 2 3 5 6 3 3 11 6 2 3 7 6 5 9 9 5 4 11 9 8 4 7 8 7 3 5 7 4 2 6 10 8 8 7 7 5 7 7 5 10 16 59 67 4 7 9 7 3 2 5 5 4 3 5 5 6 8 80 56 5 5 6 10 6 26 8 32 22 4 9 6 2 14 11 4 1 3 7 32 0 4 6 3 0 3 6 3 0 3 6 3 1 4 6 3 0 15 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 4 5 2 2 5 4 2 2 5 4 1 2 5 4 1 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 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 5 2 3 7 6 4 4 6 4 3 4 7 5 9 8 18 48 55 22 12 7 3 5 7 3 2 5 6 3 2 4 5 2 2 4 4 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 2 4 4 2 3 5 4 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 2 4 4 2 3 4 4 2 3 5 3 2 3 5 3 1 3 5 3 1 3 5; 1HNMR: 91 91 s 1H | 79 78 dd 1H J 22 87 | 78 78 dd 1H J 46 88 | 77 76 dd 1H J 21 121 | 76 75 m 2H | 73 73 m 2H | 26 25 m 1H | 19 17 dtdd 2H J 43 59 84 130 | 16 15 m 5H | 13 12 m 2H | 10 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OCCOc1nc(Cl)c(Cl)cc1C#N
ir: 13 14 14 14 26 28 15 16 15 14 15 14 13 19 13 14 14 13 13 18 14 13 13 14 14 13 13 14 14 22 20 14 18 29 12 15 19 14 13 17 38 81 72 25 26 21 14 13 13 14 14 14 15 15 16 15 14 15 14 14 14 14 14 13 14 14 17 14 22 19 16 15 14 18 21 18 15 18 20 14 14 16 19 17 14 14 13 14 14 15 15 14 18 45 45 24 13 13 14 14 14 18 20 14 13 13 14 14 14 14 14 14 15 19 15 15 15 15 15 31 17 14 15 21 21 14 15 18 15 48 24 95 31 13 12 14 15 12 12 14 15 13 79 20 19 0 100 22 7 19 16 10 12 16 14 13 15 15 14 12 13 14 13 13 13 14 13 12 13 14 13 13 13 14 13 13 13 13 13 15 13 8 75 3 14 16 12 11 14 15 13 12 14 14 13 12 14 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 12 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 14 14 13 13 14 14 13 13 14 14 13 13 14 14 14 14 14 14 13 14 14 14 14 14 14 14 14 15 16 26 19 15 19 15 14 13 14 13 13 13 14 13 13 13 14 13 14 14 14 13 13 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 13 13 13 14 13 13 13 14 13 13; 1HNMR: 78 78 s 1H | 45 45 t 2H J 55 | 38 38 t 2H J 55 | 37 36 hept 1H J 57 | 12 11 d 6H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnn(-c2cncc(N)c2)c1
ir: 12 10 16 11 6 3 2 3 5 6 3 14 13 7 2 3 4 7 4 8 2 2 2 2 2 3 2 2 2 2 4 3 3 2 4 7 3 2 2 2 2 2 7 3 2 2 2 3 3 1 2 3 2 2 2 3 2 2 2 4 2 3 3 2 3 4 4 21 14 1 2 3 2 2 2 3 3 1 6 3 1 0 5 11 100 7 1 1 3 2 1 2 2 2 2 3 4 2 2 2 3 2 2 2 2 10 3 2 2 2 3 8 15 3 4 3 3 2 2 2 2 3 3 5 2 2 12 3 8 3 2 2 2 2 2 4 3 2 2 2 2 2 2 1 2 2 2 2 3 10 3 20 4 19 52 15 7 5 2 6 15 4 3 17 4 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 4 5 10 5 5 10 4 2 2 2 2 1 2 2 2 2 2 2 4 3 31 3 2 2 2 2 2 2 2 2 2 31 30 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 88 88 t 1H J 16 | 81 81 t 1H J 17 | 78 78 d 1H J 9 | 75 75 d 1H J 9 | 74 74 t 1H J 17 | 41 40 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](NC(=O)C=Cc1ccccc1)c1cccc(N2CC3CC2CO3)c1
ir: 2 1 1 1 3 3 5 3 3 6 6 4 2 3 2 1 1 3 3 2 4 6 9 11 6 5 2 1 3 9 16 2 9 1 4 5 5 6 4 4 8 48 10 14 6 2 10 53 4 2 17 2 1 0 0 1 1 5 3 1 1 2 1 2 3 6 16 13 9 7 6 4 6 2 2 3 1 4 8 7 15 5 3 6 2 2 3 3 4 1 5 8 3 4 4 8 8 5 10 11 6 3 5 5 2 4 4 3 4 2 4 8 3 3 1 1 1 1 1 3 2 1 2 2 2 3 3 2 3 5 9 7 3 2 3 5 6 4 3 2 5 18 10 5 21 45 10 38 4 3 2 5 12 5 2 1 5 5 1 1 1 0 2 4 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 3 11 2 3 3 6 10 10 10 14 25 38 100 39 10 3 2 3 2 1 1 1 1 1 1 1 1 0 0 1 1 1 2 4 8 9 25 35 5 2 2 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; 1HNMR: 76 75 dt 1H J 7 163 | 76 75 m 2H | 74 73 m 3H | 72 72 dd 1H J 75 82 | 71 70 ddt 1H J 9 21 82 | 69 69 d 1H J 80 | 68 67 m 2H | 66 65 d 1H J 165 | 50 49 dtd 1H J 51 60 82 | 43 43 tt 1H J 9 18 | 42 41 dd 1H J 23 99 | 41 40 tt 1H J 21 45 | 39 38 m 2H | 37 36 dd 1H J 9 115 | 24 23 dddd 1H J 7 16 52 130 | 22 21 dddd 1H J 7 17 52 131 | 16 15 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(Br)c2cc(F)c(OCc3ccccn3)nc21
ir: 0 1 1 3 2 1 6 1 1 2 3 1 0 0 0 1 0 0 0 0 0 4 0 0 1 6 2 3 1 0 1 12 9 2 1 1 5 8 23 100 22 3 2 2 1 1 1 0 1 1 1 1 3 4 3 5 8 3 2 1 1 1 2 2 2 8 14 4 4 4 2 0 1 1 0 1 3 1 3 2 1 2 2 2 1 0 1 3 2 10 2 1 1 1 0 0 1 1 2 1 0 1 18 5 1 2 36 4 2 1 0 0 1 1 0 0 1 2 0 1 2 3 3 2 6 5 6 1 1 1 1 1 44 1 3 1 16 11 13 1 2 1 0 1 1 1 13 1 3 5 6 17 11 2 3 2 3 15 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 2 2 1 1 2 2 2 4 1 4 8 16 6 10 4 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 dd 1H J 16 42 | 79 78 td 1H J 16 74 | 76 75 s 1H | 74 73 m 3H | 53 53 d 2H J 10 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)N2CCCC2=O)cc1
ir: 5 3 2 3 5 3 3 4 5 3 4 4 4 9 20 15 18 6 13 14 8 15 6 8 8 7 6 9 5 6 3 4 9 4 12 6 4 9 16 48 89 76 65 11 14 2 5 6 4 4 8 12 17 8 27 69 67 35 39 23 12 8 16 26 7 10 8 6 3 6 8 6 9 15 7 5 5 2 6 4 3 2 3 4 2 4 9 12 12 8 5 3 4 3 5 3 2 2 3 6 3 4 5 3 2 3 6 8 5 32 10 8 2 17 16 29 10 6 8 16 12 17 19 9 12 8 13 13 7 5 3 45 87 14 9 1 0 4 5 1 1 6 8 18 33 28 22 48 100 71 22 24 43 37 32 44 4 7 3 4 3 18 68 14 4 6 3 0 3 5 2 0 3 4 3 0 3 4 2 1 3 4 2 1 3 4 2 2 3 4 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 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 4 3 2 2 4 4 2 3 6 4 2 10 6 13 6 3 7 8 3 11 38 26 40 45 22 58 33 9 7 4 6 5 4 4 3 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1; 1HNMR: 77 76 m 2H | 70 69 m 2H | 39 38 dd 2H J 39 47 | 38 38 s 2H | 26 25 t 2H J 58 | 20 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](CCSC)NC(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1-c1ccccc1
ir: 0 5 1 7 6 4 6 14 23 10 22 21 30 13 7 3 4 1 4 2 1 5 8 8 14 17 3 0 7 9 9 19 33 49 14 24 5 8 2 3 16 17 35 26 27 24 9 11 5 7 6 5 7 43 14 4 6 2 2 0 2 3 2 1 8 41 13 7 17 14 7 7 6 8 9 2 2 2 2 2 4 15 5 16 56 6 3 4 9 6 2 1 4 31 24 3 5 4 4 7 5 3 1 1 1 3 4 3 2 9 10 6 5 2 6 4 6 10 13 10 10 12 21 13 11 15 6 2 1 2 2 4 4 10 34 7 13 2 2 4 4 0 16 100 13 56 36 22 9 9 7 7 13 12 1 1 1 0 1 8 16 4 3 9 0 1 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 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 0 1 1 1 1 2 2 1 2 5 3 4 1 3 5 6 3 12 43 8 61 60 33 17 6 3 4 2 1 1 1 2 2 1 1 1 1 1 1 3 2 2 3 4 10 34 54 22 8 4 3 2 1 1 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 d 1H J 85 | 78 77 m 2H | 76 76 m 2H | 75 74 m 2H | 74 73 m 4H | 72 71 m 2H | 44 43 dt 1H J 53 84 | 37 37 s 2H | 27 26 dt 1H J 62 143 | 26 25 dt 1H J 62 143 | 24 24 d 3H J 8 | 23 22 dtd 1H J 53 61 132 | 21 19 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(NCCCNc2ccccc2)cc1
ir: 7 12 30 30 14 19 9 5 7 4 7 8 4 6 7 3 3 3 4 3 1 3 3 2 1 2 2 1 2 4 6 3 3 2 1 3 2 5 5 14 38 100 16 10 6 6 3 0 1 3 2 0 1 2 1 0 1 3 1 1 1 2 1 0 2 3 3 11 5 5 4 3 4 2 2 2 2 2 4 16 6 4 1 1 2 1 0 0 1 1 1 1 5 6 1 1 2 1 1 2 2 2 3 3 41 50 5 6 4 6 4 2 2 2 0 4 4 4 2 2 6 6 1 7 4 2 1 4 4 34 12 6 4 3 6 16 3 2 4 3 6 9 9 8 16 10 97 46 11 4 5 8 16 59 15 4 2 2 1 1 6 28 4 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 2 2 7 10 6 27 44 17 17 10 19 2 3 3 1 2 3 1 1 2 3 2 2 3 2 4 4 8 26 34 51 87 43 19 23 12 6 4 3 6 1 1 1 1 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 m 4H | 68 68 tt 2H J 12 70 | 66 66 m 4H | 46 45 t 2H J 49 | 33 32 q 4H J 50 | 20 19 p 2H J 50
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]1CCc2ccc(O)cc2NC1=O
ir: 5 2 2 2 2 1 3 5 2 4 1 2 2 3 3 10 3 2 1 2 23 1 2 2 1 1 2 3 3 3 17 23 23 10 4 3 9 12 8 4 2 2 0 1 1 0 3 6 2 1 2 3 11 4 7 1 1 2 1 0 1 1 2 2 2 0 11 13 3 2 1 3 1 1 0 1 2 4 3 38 28 20 13 3 1 1 2 2 10 6 2 1 0 1 2 3 2 2 7 4 0 1 3 1 0 0 1 1 2 6 4 1 1 5 6 2 3 4 2 2 2 2 2 2 2 3 1 3 1 8 6 7 13 6 2 1 0 1 1 0 0 1 2 6 10 21 4 2 3 44 14 10 1 1 6 19 5 2 1 1 1 1 33 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 2 1 1 1 1 2 2 1 2 1 1 2 3 5 12 0 5 12 13 2 0 0 2 2 1 19 15 3 2 1 1 0 0 1 1 2 2 2 4 5 8 11 100 15 4 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 s 1H | 73 72 d 1H J 22 | 69 68 dt 1H J 8 86 | 66 65 dd 1H J 22 86 | 65 65 s 1H | 61 60 d 1H J 81 | 44 44 dt 1H J 59 81 | 31 30 m 1H | 29 28 dtd 1H J 8 90 167 | 23 22 dddd 1H J 62 86 93 148 | 21 20 dtd 1H J 56 90 146 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC[C@@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1
ir: 6 5 19 4 18 18 10 9 6 6 7 5 7 12 6 1 5 5 5 13 3 2 6 3 2 2 2 4 3 5 7 13 2 4 11 5 5 3 4 6 12 32 31 81 57 29 71 18 5 6 2 5 4 12 12 55 5 5 8 17 4 1 2 1 1 4 4 5 1 2 1 1 1 2 7 1 2 2 8 5 1 1 0 0 1 1 1 0 1 5 3 2 2 18 8 1 2 2 5 3 2 3 13 8 7 21 3 5 5 2 2 5 14 20 55 8 6 4 1 3 11 5 2 7 5 2 3 9 6 15 3 4 31 4 1 3 5 1 1 3 5 3 0 9 24 41 22 27 11 16 8 7 6 2 5 7 100 69 9 2 2 1 1 1 1 0 1 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 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 2 1 1 1 1 3 2 2 2 1 3 6 8 8 11 8 3 4 2 1 3 2 3 2 2 1 3 2 2 5 5 8 16 82 16 23 27 12 31 17 19 22 7 4 4 3 5 5 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 83 82 m 3H | 75 74 d 1H J 82 | 62 62 d 1H J 73 | 62 61 t 1H J 58 | 39 38 tt 1H J 41 76 | 37 37 ddd 1H J 35 59 137 | 35 34 ddd 1H J 40 58 137 | 30 30 ddd 1H J 42 60 137 | 29 28 tq 1H J 49 59 | 28 27 ddd 1H J 42 59 137 | 24 24 d 3H J 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2[C@@H]2CC[C@@H](c3ccccc3)CC2)C1
ir: 1 2 3 2 1 2 4 4 1 1 2 3 6 4 7 6 5 5 4 2 2 3 10 11 7 4 4 1 7 6 7 14 4 4 3 1 1 2 2 1 3 13 2 3 1 2 1 0 1 2 2 1 2 3 5 8 4 5 2 1 1 2 1 1 1 2 2 14 5 6 5 0 3 2 1 1 2 2 3 3 2 2 1 1 4 3 1 1 2 2 1 5 2 2 2 3 3 5 8 3 4 4 2 4 2 4 7 3 5 28 6 3 4 4 1 2 4 2 1 7 6 4 5 3 3 2 3 8 18 6 2 5 6 6 6 8 10 3 2 4 6 16 17 6 6 5 5 13 5 25 2 3 5 9 1 2 1 0 1 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 3 2 1 2 3 3 1 1 2 3 2 3 6 8 13 7 16 18 100 14 8 3 3 2 1 2 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 dd 1H J 25 81 | 74 74 dt 1H J 9 23 | 74 73 m 3H | 73 72 m 3H | 49 48 d 2H J 7 | 48 47 s 2H | 29 28 tt 1H J 44 72 | 27 26 m 1H | 22 20 m 4H | 20 18 m 4H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/CC[C@@H](c1cccc(F)c1F)[C@H](NC(=O)OC(C)(C)C)c1scnc1Br
ir: 4 7 8 4 4 7 11 7 9 30 8 3 16 7 10 5 3 2 3 2 2 6 2 1 7 4 7 16 15 13 17 5 3 3 3 3 5 9 7 37 4 2 3 2 13 3 12 11 39 10 5 5 2 4 3 3 6 7 3 4 4 9 16 5 2 2 3 0 2 3 9 6 7 15 2 5 2 10 4 3 2 4 4 2 3 2 3 1 3 3 3 11 11 3 3 9 30 9 4 27 14 13 4 10 11 6 12 32 14 14 28 8 9 9 9 5 15 9 16 24 32 24 23 25 23 12 21 15 23 37 25 12 10 7 6 15 5 4 4 17 10 7 30 25 5 12 14 6 5 1 2 2 2 0 0 4 15 7 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 10 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 2 2 2 1 2 2 1 1 2 2 2 2 3 4 9 5 6 12 14 10 4 10 6 12 12 4 18 100 96 28 35 47 12 9 2 2 2 3 1 1 3 3 1 0 1 1 1 1 1 1 2 3 4 3 8 6 71 17 1 2 2 1 0 0 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 88 88 s 1H | 73 72 m 2H | 71 71 dddd 1H J 14 37 88 101 | 71 70 dtt 1H J 9 60 156 | 59 58 d 1H J 77 | 58 57 dt 1H J 12 156 | 54 53 dd 1H J 78 100 | 37 37 s 3H | 37 36 m 1H | 25 24 dtdd 1H J 13 60 84 124 | 24 23 dtdd 1H J 13 61 86 124 | 22 21 dtdd 1H J 9 60 86 134 | 19 18 dtdd 1H J 9 60 84 132 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(CC(=O)Nc2ncc([N+](=O)[O-])s2)c1
ir: 3 14 22 15 1 15 26 11 1 14 25 26 25 39 27 13 11 32 24 11 8 17 17 7 4 22 20 10 16 19 22 7 25 27 17 3 7 18 15 14 11 20 16 5 12 41 33 80 62 29 29 8 22 35 47 15 27 30 14 6 13 22 9 0 12 20 11 9 24 21 9 5 15 19 11 3 14 19 10 11 17 21 9 3 16 17 9 29 67 43 27 12 17 16 6 16 22 14 4 24 17 13 2 9 18 11 1 9 19 11 3 22 22 70 6 15 21 11 5 11 19 10 3 18 36 28 29 24 22 10 5 15 16 7 4 13 16 5 6 21 30 7 7 16 19 12 31 47 35 36 100 78 48 48 41 39 19 5 9 20 15 2 8 18 11 1 9 18 10 0 9 19 10 1 10 19 9 1 11 18 8 2 11 17 7 3 12 16 7 3 12 15 6 4 13 15 6 5 14 14 5 5 14 13 4 6 15 13 4 7 15 12 3 7 16 11 3 8 17 11 2 8 17 10 2 9 18 10 1 10 17 9 2 10 17 8 2 11 16 8 3 11 15 7 4 12 15 7 4 12 14 6 5 13 14 6 5 13 13 5 6 14 13 5 7 15 12 5 7 16 13 5 8 16 12 10 10 20 18 5 10 18 13 7 18 25 30 59 41 24 15 4 13 18 9 6 12 16 8 4 11 15 7 5 14 25 10 12 16 19 27 41 61 35 16 9 14 14 6 8 15 13 6 7 14 12 4 8 15 11 4 8 15 11 4 9 16 10 3 9 16 10 3 9 16 9 3 10 16 9 4 11 15 8 4 11 14 8 5 11 14 7 5 12 13 7 6 12 13 6 6 13 12 6 7 13 12 6 7 13 12 5 8 14 11 5 8 14 11 4 8 15 10 4 9 15 10 4 9 15; 1HNMR: 86 86 s 1H | 72 71 m 2H | 71 71 m 3H | 37 37 t 2H J 9 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c2c(c(=O)n1-c1cc(F)ccc1F)[C@H]1CC[C@]2(C)C1(C)C
ir: 2 7 6 3 2 4 5 5 6 5 5 3 4 3 3 3 8 21 8 2 3 3 5 5 4 4 3 3 3 2 5 14 14 7 8 3 9 43 37 27 34 4 5 5 3 2 6 26 2 5 3 2 3 23 76 67 4 2 7 5 5 2 3 7 9 10 15 43 22 31 32 41 10 4 3 2 3 7 17 6 8 10 3 3 3 4 18 5 9 10 2 7 8 3 6 15 4 52 13 8 5 4 3 3 2 2 2 9 9 13 7 3 11 9 9 6 6 9 30 7 6 6 6 7 6 6 7 11 4 11 9 3 3 10 21 7 6 8 14 34 10 6 18 9 4 5 3 3 14 37 3 4 7 27 3 100 95 9 6 0 11 20 4 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 2 2 2 2 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 5 5 4 3 2 3 5 4 8 4 7 9 21 20 53 35 14 28 82 87 8 5 6 10 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 72 71 m 2H | 68 68 dddd 1H J 22 37 92 103 | 32 32 s 2H | 30 30 ddp 1H J 15 44 57 | 20 18 dddd 2H J 61 82 121 264 | 17 16 m 2H | 11 11 s 2H | 10 10 d 3H J 14 | 10 9 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc2[nH]c3ccc(OCc4ccccc4)cc3c2c1
ir: 17 30 18 8 10 56 100 18 3 10 15 9 3 3 3 2 3 3 4 5 2 4 3 4 3 3 3 3 2 6 5 3 3 4 2 2 4 5 12 51 6 7 2 1 2 3 2 2 1 2 2 4 7 31 35 11 4 2 2 3 2 1 2 5 4 9 33 3 8 13 6 4 4 3 4 16 12 4 3 2 2 2 1 1 1 2 1 5 7 3 2 2 2 2 1 1 3 7 3 2 2 2 4 5 19 25 4 5 0 39 23 5 3 3 1 1 3 3 1 12 6 6 7 7 4 8 2 3 3 1 1 3 3 6 5 10 8 3 6 8 12 23 26 18 4 75 7 6 3 3 10 14 9 5 12 19 43 2 2 4 3 1 2 6 7 1 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 2 4 6 9 6 21 57 26 16 8 5 10 6 6 0 2 3 2 1 3 2 2 2 5 6 5 9 8 17 20 9 40 45 46 9 7 5 2 3 4 6 2 6 3 3 1 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 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; 1HNMR: 77 77 d 1H J 28 | 75 74 d 1H J 74 | 74 73 m 6H | 73 73 m 1H | 72 72 m 2H | 69 68 ddd 2H J 25 72 94 | 51 50 d 2H J 9 | 29 29 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N2CCC(c3ccccc3)C2)c2cc(O)ccc2n1
ir: 5 4 4 3 4 4 5 5 5 4 4 4 5 4 4 4 5 4 8 4 3 4 6 4 3 6 5 4 4 5 5 9 4 5 4 4 4 4 4 5 9 72 5 5 4 4 4 4 5 4 3 3 3 4 4 7 48 3 4 3 5 4 4 7 8 5 14 6 11 8 5 9 5 4 4 4 4 4 5 4 5 7 17 15 26 7 6 7 7 6 4 6 7 5 5 6 6 5 5 4 5 4 5 5 6 4 3 4 4 3 4 4 3 4 4 5 4 4 3 4 4 4 4 4 4 4 8 4 4 4 4 4 4 4 5 6 4 4 4 3 18 4 3 4 4 4 4 8 4 3 4 35 6 5 5 6 5 4 3 7 10 15 4 3 3 4 5 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 4 4 5 5 5 3 4 5 5 5 4 5 5 4 4 6 4 4 4 5 7 3 10 42 15 12 5 7 4 0 8 100 12 12 4 2 4 5 3 2 4 5 3 3 4 4 3 3 4 4 3 3 4 4 5 4 4 4 4 5 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 86 85 s 1H | 78 78 d 1H J 87 | 75 74 d 1H J 22 | 73 71 m 7H | 69 69 d 1H J 8 | 40 39 m 1H | 37 37 m 1H | 36 35 ddd 1H J 49 68 118 | 34 34 ddd 1H J 50 69 120 | 32 31 tt 1H J 34 43 | 25 24 s 3H | 23 22 m 1H | 20 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2c1C=Cc1ccccc1C2O
ir: 3 3 1 3 2 1 2 3 15 3 2 2 1 2 2 2 2 1 0 2 1 1 1 1 1 3 0 1 2 0 11 1 1 1 2 2 7 2 1 2 3 2 16 17 18 38 10 3 11 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 1 1 2 1 4 2 2 1 1 3 6 4 2 2 1 2 3 4 4 14 4 7 3 7 23 35 10 6 2 2 11 2 4 2 2 2 3 2 1 2 5 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 5 4 2 1 1 1 1 1 2 1 1 1 4 5 6 1 1 0 5 10 4 1 12 0 0 9 2 7 5 1 1 1 4 2 4 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 5 4 6 17 63 33 15 3 3 4 2 17 100 24 6 2 1 1 2 2 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 0 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 75 75 d 1H J 106 | 74 74 m 1H | 74 72 m 4H | 72 71 m 3H | 61 61 dd 1H J 8 47 | 28 27 d 1H J 48 | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1-n1nnc2c(Cl)ncnc21
ir: 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 5 7 7 6 21 24 8 6 6 6 6 4 4 5 5 4 5 6 5 4 5 9 7 7 13 14 14 17 8 6 5 5 5 6 6 5 6 5 5 4 5 5 5 4 5 5 5 4 6 6 6 4 5 6 8 11 6 5 6 5 6 5 5 5 8 6 5 6 7 6 5 5 5 5 5 6 6 5 4 5 5 7 6 5 7 7 4 5 6 6 8 10 7 6 5 5 6 5 4 5 6 5 6 6 6 7 6 5 5 5 4 5 5 5 4 5 6 7 7 6 7 8 15 7 6 5 5 6 6 6 5 5 18 15 5 5 6 24 33 100 26 0 4 8 6 3 4 6 5 3 5 6 5 3 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 6 6 7 6 7 10 15 14 8 6 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 87 87 s 1H | 79 79 dd 1H J 14 73 | 75 75 td 1H J 14 70 | 74 73 td 1H J 11 72 | 73 73 dt 1H J 10 68 | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccccc1Sc1ccc(O)cc1
ir: 1 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 0 0 0 0 1 0 1 0 1 1 5 2 1 0 0 1 1 0 0 1 1 1 1 1 1 2 2 4 1 0 0 1 0 1 0 1 1 2 5 11 2 1 1 1 1 0 1 1 1 1 0 0 2 1 0 0 0 1 2 1 0 2 2 8 3 1 3 4 4 5 3 6 7 1 3 1 0 0 0 1 2 2 2 2 2 1 1 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 3 1 4 3 1 1 1 1 1 0 0 1 1 0 0 0 0 1 2 3 0 1 3 2 2 6 10 7 11 4 4 2 1 1 1 1 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 3 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 4 3 3 10 8 13 2 2 1 2 5 38 100 72 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 73 72 m 3H | 68 68 m 2H | 37 37 d 2H J 8 | 37 36 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)COC(c2cc(Br)cs2)OC1
ir: 0 1 1 1 3 1 2 1 0 1 2 1 9 9 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 1 2 1 0 1 1 7 1 1 2 2 10 3 2 2 5 8 9 3 7 1 4 2 0 2 2 7 2 1 2 1 1 5 12 26 6 3 6 1 1 1 1 1 1 1 1 1 2 5 6 3 3 4 9 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 3 4 3 3 2 3 3 5 22 2 6 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 9 2 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 0 1 1 1 2 9 5 3 1 4 36 100 5 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 16 | 72 72 m 1H | 56 56 d 1H J 8 | 36 36 s 4H | 10 9 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(NC(=O)OC(C)(C)C)CCOCC1
ir: 7 14 9 10 3 5 3 4 8 15 11 4 1 3 3 14 6 3 2 2 3 4 3 1 0 8 6 5 24 53 21 7 12 6 3 7 2 8 6 5 3 7 3 6 2 1 1 0 1 1 1 1 2 6 1 3 3 3 1 3 3 10 6 9 3 1 2 1 1 1 0 0 1 1 10 22 2 2 3 8 1 1 1 1 1 2 4 3 1 1 1 3 2 3 2 2 5 4 2 2 2 2 0 3 4 7 1 2 3 5 12 11 20 6 4 5 2 1 6 8 12 5 2 6 3 3 1 6 8 10 8 6 8 5 2 2 3 1 2 4 3 4 9 100 74 65 7 1 2 47 30 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 1 2 4 2 3 1 3 3 5 6 1 1 3 3 5 19 16 10 3 1 1 1 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 2 46 44 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 52 51 s 1H | 37 37 m 6H | 36 35 ddd 2H J 35 62 123 | 23 22 ddd 2H J 37 62 146 | 21 20 ddd 2H J 35 62 146 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN1CCN(c2ccc(N)cc2C#N)CC1
ir: 5 2 1 3 7 13 5 8 3 2 1 1 5 1 1 3 1 1 1 1 1 0 3 1 0 0 1 2 5 2 2 2 2 2 2 1 1 1 1 2 1 1 1 0 1 0 1 1 1 1 0 1 0 1 4 3 3 2 5 3 2 2 1 1 1 1 3 6 10 3 2 2 1 1 0 1 1 2 2 8 17 3 1 3 6 3 4 3 1 1 2 1 1 1 0 2 1 2 2 2 2 5 2 1 0 1 1 0 3 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 2 1 0 0 1 0 1 2 2 4 8 33 100 5 2 1 0 0 9 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 1 2 4 1 2 16 2 2 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 4 15 1 1 2 0 0 0 0 0 1 4 23 34 5 1 1 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 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; 1HNMR: 70 70 d 1H J 22 | 69 68 d 1H J 78 | 68 67 dd 1H J 22 77 | 45 45 s 2H | 35 34 t 2H J 59 | 33 33 m 7H | 28 28 m 4H | 27 26 t 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@]1(C)CCCC(=O)C1
ir: 7 11 15 6 1 9 11 5 0 11 14 14 6 19 11 6 8 26 15 5 2 6 8 11 10 18 9 3 3 7 7 3 3 9 8 4 9 19 12 3 6 12 9 1 7 12 8 2 12 21 18 8 13 14 9 2 9 13 10 4 6 13 4 1 18 18 11 2 7 10 5 2 6 9 6 3 6 8 3 1 7 8 2 3 7 8 6 4 14 9 9 12 17 8 5 6 14 15 15 5 9 7 3 9 11 7 4 8 13 8 6 23 17 19 9 22 36 46 21 31 46 38 40 48 33 14 15 19 22 15 12 11 14 16 17 12 10 6 6 13 12 16 17 60 75 100 17 18 10 3 4 9 7 2 4 8 6 2 4 8 6 1 4 8 5 1 4 8 5 0 4 9 4 0 5 8 4 1 5 8 4 1 5 8 3 1 6 7 3 2 6 7 3 2 6 7 2 2 6 6 2 3 7 6 2 3 7 6 2 3 7 6 1 3 7 5 1 4 8 5 1 4 8 5 1 4 8 5 1 5 8 4 1 5 8 4 1 5 7 4 2 5 7 3 2 6 7 3 2 6 7 3 3 6 6 3 2 6 6 3 3 7 7 3 4 7 6 3 5 8 11 9 9 26 18 19 13 22 13 12 11 19 24 65 64 49 15 6 8 9 6 2 6 9 4 2 6 7 4 1 6 7 3 2 6 7 3 2 6 6 3 2 6 6 3 3 6 6 2 3 6 6 2 3 7 5 2 3 7 5 2 4 7 5 2 4 7 5 1 4 7 4 1 4 7 4 1 5 7 4 2 5 7 4 2 5 7 4 2 5 6 3 2 5 6 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 5 2 3 6 5 2 4 7 5 2 4 7 5 2 4 7 4 2 4 7; 1HNMR: 25 24 m 3H | 22 22 d 1H J 167 | 18 15 m 4H | 15 14 ddd 1H J 54 80 133 | 14 11 m 5H | 10 9 s 2H | 9 8 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(NC2CC(C)(C)NC(C)(C)C2)cc(C)nc1C
ir: 6 5 4 1 7 10 7 9 30 5 8 7 2 23 3 4 21 34 40 6 2 3 2 2 18 15 12 16 17 9 8 10 10 8 15 64 30 8 24 68 29 26 11 5 6 2 1 2 2 0 1 2 2 0 1 2 4 1 1 2 2 5 12 9 5 2 5 5 13 30 18 14 6 4 2 3 3 2 12 12 1 1 1 2 1 0 2 2 2 6 3 5 8 2 2 2 0 2 3 10 6 2 2 2 5 29 11 2 4 5 3 8 8 5 5 4 9 22 31 14 16 8 11 10 19 46 23 20 20 18 11 10 10 44 35 28 35 13 14 21 22 3 5 5 2 3 2 0 2 11 33 7 9 73 100 15 5 3 1 3 4 51 17 5 2 1 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 1 1 2 2 3 3 4 1 3 3 6 1 2 2 3 3 6 38 32 13 8 41 10 4 3 1 1 1 2 4 3 3 3 1 2 3 7 22 18 7 7 25 31 48 11 39 72 29 17 12 9 3 2 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 72 d 1H J 66 | 69 68 s 1H | 43 42 q 2H J 63 | 41 40 dp 1H J 46 66 | 25 25 s 3H | 24 24 s 3H | 19 18 dd 2H J 46 136 | 17 16 m 3H | 14 14 t 3H J 64 | 13 13 s 5H | 12 11 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)c1nc2c(F)ccc(O)c2c(C)c1Cc1ccc(-n2cccn2)cc1
ir: 3 6 4 5 2 2 1 4 12 6 3 6 4 5 4 6 6 6 3 3 3 1 1 1 2 2 1 2 3 8 14 2 2 2 2 2 1 4 4 12 20 15 3 3 3 2 2 1 2 2 4 4 16 19 11 24 17 0 3 6 3 2 1 4 6 2 2 11 10 16 4 3 5 13 3 6 5 9 17 98 16 8 4 5 3 2 2 2 0 12 25 4 5 4 5 3 1 2 2 2 2 4 2 1 1 2 1 1 0 1 1 5 3 2 7 4 3 3 3 3 2 2 5 3 4 5 5 2 1 6 7 7 12 4 2 2 2 8 7 4 3 23 33 3 2 8 13 14 15 4 5 3 28 4 3 4 3 1 1 2 2 44 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 2 2 2 2 1 2 1 1 1 1 3 2 1 2 3 2 2 2 5 9 14 40 10 19 25 20 5 3 12 100 16 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 94 93 s 1H | 80 79 d 1H J 26 | 77 77 d 1H J 19 | 77 76 m 2H | 73 73 dq 2H J 9 77 | 72 71 m 1H | 69 69 dd 1H J 48 99 | 65 65 dd 1H J 18 26 | 55 55 dt 1H J 7 33 | 54 54 dq 1H J 15 31 | 41 40 t 2H J 9 | 24 24 s 3H | 23 22 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CCC1CCOCC1
ir: 5 5 4 6 4 15 6 10 5 9 9 5 7 4 4 5 3 7 5 5 4 3 5 4 5 23 6 6 3 2 2 1 1 1 1 1 1 1 1 2 1 3 2 6 2 4 24 26 2 4 2 3 8 24 4 3 4 3 5 1 8 6 5 24 26 4 5 8 8 5 12 38 7 36 6 7 20 9 4 1 1 1 1 1 1 1 2 1 1 1 3 13 6 10 3 1 7 7 3 7 11 9 33 62 37 40 11 53 59 18 7 3 7 5 3 6 8 3 9 6 17 10 5 9 10 4 3 2 7 2 3 2 2 5 40 6 4 3 3 3 3 1 1 2 6 7 6 28 100 90 28 7 9 3 3 2 2 1 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 1 1 1 2 1 2 3 2 2 2 4 8 4 6 9 29 18 12 8 6 5 7 5 10 60 63 35 4 1 2 1 1 0 2 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1; 1HNMR: 96 96 td 1H J 18 65 | 37 36 ddd 2H J 27 55 110 | 35 34 ddd 2H J 28 55 111 | 23 22 dd 2H J 66 75 | 19 18 m 1H | 18 17 dddd 2H J 27 55 66 134 | 16 15 dddd 2H J 27 55 64 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(CN2CCC(Nc3nc4ccc(C(=O)OC)cc4o3)CC2)ccc1C
ir: 1 5 1 1 4 3 2 1 2 2 5 8 23 8 15 10 1 3 2 2 2 1 3 2 1 1 1 1 1 1 0 1 0 0 0 1 2 4 1 1 1 1 0 0 1 1 1 5 1 1 1 1 2 8 3 4 3 1 0 1 1 0 2 1 2 1 4 8 8 4 1 1 1 2 2 3 2 3 1 2 3 2 0 0 1 1 1 7 1 1 1 1 1 1 2 3 3 2 2 2 4 1 1 1 2 1 2 1 2 3 1 2 1 1 4 16 6 3 3 1 3 4 1 1 7 4 2 3 2 2 1 3 1 1 1 1 1 1 1 5 13 0 17 8 6 100 5 33 2 2 4 5 1 3 4 2 0 0 0 0 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 6 2 5 31 6 10 2 1 0 1 1 0 0 0 0 0 0 2 1 0 1 1 2 1 0 1 0 5 76 19 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 77 77 d 1H J 79 | 71 71 dq 1H J 11 82 | 70 69 ddt 1H J 9 18 81 | 67 67 dt 1H J 8 17 | 53 52 d 1H J 64 | 41 41 q 2H J 63 | 41 40 dp 1H J 46 64 | 39 39 s 2H | 36 36 t 2H J 9 | 29 28 ddd 2H J 55 82 128 | 25 24 ddd 2H J 53 81 127 | 22 21 d 3H J 10 | 21 20 dddd 2H J 46 54 81 126 | 18 17 dddd 2H J 46 54 82 128 | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=C(CCCN2CCCCC2)c2ccccc2C1
ir: 2 6 6 4 3 2 3 2 3 4 2 1 2 2 2 3 2 1 2 1 2 2 2 1 1 2 1 1 1 2 1 0 1 2 2 1 1 6 4 14 51 27 23 50 4 2 7 3 2 2 2 1 3 5 7 22 14 4 14 5 6 8 4 2 3 3 12 14 10 6 5 5 3 4 7 2 2 1 5 26 37 49 19 6 6 10 30 17 39 58 13 3 4 3 2 2 7 4 3 8 10 7 3 11 9 8 10 5 5 7 6 6 13 6 6 7 6 6 3 7 11 7 5 9 17 10 5 3 4 3 3 3 4 3 6 4 20 18 8 40 52 31 5 1 2 2 2 4 4 7 2 2 4 3 6 5 2 0 1 3 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 0 1 1 1 2 1 6 8 9 4 7 5 2 4 4 12 12 21 27 91 100 68 27 12 4 3 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 m 1H | 74 73 m 3H | 60 60 m 1H | 42 42 m 2H | 28 27 td 2H J 14 80 | 26 25 m 6H | 18 17 tt 2H J 61 80 | 16 16 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCNCC1COc2ccc(OS(=O)(=O)C(F)(F)F)cc2O1
ir: 3 4 3 9 23 6 6 11 18 22 9 18 9 6 16 3 0 3 5 1 1 1 2 4 6 6 5 4 6 2 3 1 1 1 6 2 4 4 7 3 6 20 40 17 13 12 8 4 3 8 28 6 3 11 13 46 10 8 10 10 4 8 7 3 6 10 22 6 19 36 32 24 20 9 8 3 3 5 2 1 3 3 2 4 7 56 25 4 4 6 4 4 2 3 1 1 9 38 8 5 1 1 3 3 4 5 8 7 5 8 9 13 28 18 7 4 4 5 2 3 4 2 2 6 3 5 3 8 4 2 3 2 2 3 7 10 4 20 15 7 4 3 3 5 7 1 1 1 1 3 26 1 8 5 2 2 1 1 1 1 1 5 7 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 4 2 4 2 3 4 2 6 14 5 2 12 11 18 80 40 7 4 5 7 7 10 1 2 2 1 1 2 3 1 3 2 9 45 100 12 3 3 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 m 2H | 69 68 d 1H J 22 | 58 57 ddt 1H J 53 107 162 | 52 52 dq 1H J 11 163 | 51 51 m 1H | 46 45 p 1H J 38 | 44 43 dd 1H J 38 124 | 41 41 dd 1H J 38 124 | 34 33 m 2H | 33 31 m 2H | 31 30 ddd 1H J 40 70 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(CC)n(C(C)C)c1=O
ir: 1 1 1 1 1 2 1 1 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 12 24 4 2 1 0 1 1 1 0 1 1 2 0 1 1 1 1 1 1 1 1 2 1 2 3 1 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 2 2 3 3 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 4 5 2 1 2 1 2 1 1 2 5 3 1 1 1 1 1 1 1 1 1 2 5 3 2 3 4 2 0 21 1 1 1 1 3 3 100 4 0 1 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 6 3 2 2 5 5 12 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 dt 1H J 10 79 | 68 67 dt 1H J 13 79 | 46 45 hept 1H J 72 | 43 43 q 2H J 71 | 29 28 qt 2H J 12 73 | 14 13 d 6H J 73 | 13 12 t 3H J 71 | 11 11 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CN1C(=O)C2=C(CCCC2)C1=O)C(C)=O
ir: 5 7 7 5 1 2 1 2 1 2 0 1 1 0 0 3 1 0 0 1 1 0 3 6 1 1 0 0 0 0 0 0 1 4 0 1 1 1 0 0 1 10 2 1 2 14 17 8 2 3 0 0 0 0 1 0 1 1 0 1 1 0 0 0 2 1 1 1 1 1 2 3 7 1 1 1 2 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 1 1 1 0 1 1 1 0 1 1 2 3 11 4 3 2 21 20 3 8 7 9 6 2 3 2 2 3 3 2 3 4 3 2 1 0 1 1 3 1 1 30 3 3 10 2 2 5 41 2 2 1 0 0 1 1 0 1 100 11 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 0 2 1 4 2 1 2 3 4 2 4 10 14 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 43 43 dd 1H J 66 150 | 43 41 p 2H J 63 | 41 40 dd 1H J 66 152 | 38 38 tq 1H J 15 65 | 24 24 m 4H | 22 22 d 3H J 15 | 18 17 ddd 4H J 26 43 63 | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)NCCSCc1nscc1Br
ir: 7 11 13 4 13 30 28 30 18 14 74 36 25 14 4 4 6 5 5 3 2 6 4 3 2 0 19 5 2 6 7 1 1 5 4 1 4 20 20 4 17 4 4 5 11 5 24 4 4 5 9 1 3 5 3 1 3 4 2 0 6 5 3 1 9 12 3 3 5 5 4 4 8 4 1 4 3 4 3 3 4 4 7 6 4 4 2 1 7 5 1 1 3 3 3 2 4 3 0 1 5 22 7 3 4 23 9 6 33 21 5 8 9 9 6 14 25 40 62 18 20 23 15 33 41 20 17 7 4 3 3 5 2 3 4 3 11 3 9 5 4 3 3 11 15 80 41 47 28 11 5 4 3 3 3 5 2 1 2 2 2 2 2 2 2 2 4 3 2 1 2 2 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 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 3 2 2 2 3 2 2 2 4 2 2 5 17 5 3 4 11 16 36 19 12 14 92 12 11 10 61 54 23 10 5 5 8 4 3 6 3 4 1 3 3 2 1 2 3 2 2 4 4 4 5 7 7 21 31 100 17 14 6 4 4 2 3 4 4 2 2 3 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 3 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 87 87 s 1H | 63 63 t 1H J 37 | 53 52 q 1H J 49 | 38 38 s 2H | 34 33 q 2H J 41 | 29 29 t 2H J 42 | 28 28 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)CCc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1CCCCC2
ir: 5 7 7 7 9 8 10 9 6 6 15 36 12 21 10 9 6 6 6 6 7 10 13 36 16 16 6 9 15 10 14 14 13 7 11 11 22 10 5 8 7 5 5 7 11 11 7 8 10 27 17 9 6 3 25 22 18 51 19 5 7 5 7 5 9 16 23 14 9 7 5 8 7 9 7 7 9 7 5 4 5 5 6 5 5 5 5 5 5 5 4 5 6 6 5 5 5 6 9 10 6 9 4 25 6 12 5 7 8 6 12 7 15 7 8 9 9 12 8 10 18 14 8 7 15 11 15 17 8 6 4 8 9 5 3 7 22 18 12 7 10 8 16 17 43 49 21 13 8 7 6 6 10 3 24 11 7 0 100 4 4 20 14 5 5 6 5 4 5 5 5 4 5 5 4 4 4 5 4 4 4 5 4 4 4 5 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 5 5 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 4 4 4 4 5 5 4 4 5 4 4 4 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 5 4 5 5 5 4 5 6 6 6 6 7 5 6 5 5 6 15 17 11 12 27 37 9 8 6 5 6 5 4 5 5 5 5 6 8 7 6 5 6 5 8 15 14 20 63 44 21 52 20 35 12 7 9 6 6 5 6 5 6 5 5 4 4 5 5 4 5 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 4 4 4 4 4 4 4 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; 1HNMR: 95 95 s 1H | 78 77 dd 1H J 25 121 | 76 76 s 1H | 70 69 ddd 1H J 26 71 99 | 69 69 dd 1H J 47 71 | 60 59 q 1H J 49 | 32 31 t 2H J 82 | 30 30 m 5H | 27 27 t 2H J 87 | 26 25 t 2H J 82 | 18 16 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)OC(=O)CC(O)C(=O)OC(C)CC
ir: 13 13 11 8 4 5 6 3 5 6 9 14 11 5 4 3 3 3 2 3 4 2 3 3 3 4 3 4 6 20 2 2 2 1 1 2 2 1 1 2 2 2 2 7 3 3 3 3 3 3 3 3 5 4 2 4 4 6 4 3 5 2 2 6 2 0 3 11 6 19 3 5 2 2 9 1 2 4 6 23 7 2 3 3 4 5 7 16 25 85 51 20 8 30 32 23 26 9 23 9 2 3 2 2 5 8 11 10 5 7 8 5 2 3 2 5 13 10 10 8 7 12 7 3 5 10 6 18 47 24 16 12 3 8 4 2 2 1 1 2 3 4 3 18 100 12 7 0 1 3 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 1 2 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 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 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 4 16 2 4 1 3 8 7 4 10 9 9 5 8 36 35 16 5 4 2 1 2 2 2 1 19 47 3 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 49 48 m 2H | 46 45 td 1H J 62 82 | 39 39 d 1H J 64 | 29 29 dd 1H J 82 170 | 27 26 dd 1H J 82 170 | 18 16 ddddd 2H J 37 49 83 132 166 | 15 14 dtdd 2H J 38 50 83 162 | 13 13 dd 6H J 45 67 | 10 9 td 6H J 15 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1ccc(C#N)nc1
ir: 0 16 26 18 13 17 31 12 2 18 26 11 4 21 29 10 4 18 25 9 5 18 22 7 49 66 94 20 10 23 21 10 16 30 24 5 8 23 25 17 16 25 17 4 11 46 28 23 17 26 17 3 39 79 100 18 19 35 17 4 14 26 12 2 16 24 12 2 25 25 31 9 21 23 10 6 25 29 15 11 18 21 8 7 20 22 8 7 20 23 13 12 21 19 8 18 24 19 5 10 23 16 3 11 23 16 6 21 27 16 4 12 24 13 2 14 24 13 4 17 33 26 13 16 27 20 6 20 23 12 5 18 20 34 73 76 29 10 8 18 19 7 7 19 19 8 11 25 54 19 20 24 22 9 11 22 17 5 20 31 19 3 11 22 14 3 12 23 13 2 12 24 12 2 13 23 12 3 14 22 11 4 15 21 10 4 15 20 9 5 16 20 9 6 17 19 8 7 18 18 7 8 18 17 7 8 19 16 6 9 20 16 5 10 20 15 4 11 21 14 4 11 22 13 3 12 22 13 3 13 22 12 3 13 21 11 4 14 21 11 5 15 20 10 5 15 19 9 6 16 18 9 7 17 18 8 8 17 17 7 8 18 17 7 9 19 16 6 10 19 15 5 11 20 15 6 12 21 14 5 13 22 16 6 16 36 26 41 50 69 28 7 15 22 12 6 14 20 11 6 15 19 10 7 16 18 9 7 16 18 9 8 17 17 8 9 17 16 8 9 18 16 7 10 18 15 7 10 19 15 6 11 19 14 6 12 20 13 5 12 20 13 4 13 20 12 5 13 20 12 6 14 19 11 6 14 19 11 7 15 18 10 8 15 17 9 8 16 17 9 9 16 16 8 9 17 16 8 10 17 15 7 10 18 15 7 11 18 14 7 11 19 13 6 12 19 13 6 12 20; 1HNMR: 84 84 dt 1H J 10 19 | 77 76 ddt 1H J 8 18 80 | 75 75 d 1H J 81 | 46 46 d 2H J 9 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CN(CC(=O)OCC)c1ccc(OC)cc1
ir: 0 2 5 3 0 2 3 2 2 2 3 2 4 3 4 2 3 3 2 3 2 1 2 2 3 5 3 3 1 6 17 21 7 5 4 1 1 2 1 0 1 2 1 0 1 3 1 1 2 4 5 3 5 16 7 53 11 6 5 3 6 2 10 10 4 4 4 6 23 12 9 4 4 6 18 7 3 1 2 3 1 0 3 7 14 9 4 4 5 10 19 3 2 3 3 3 6 9 14 10 8 29 16 11 2 2 6 1 1 1 2 1 3 5 6 8 5 5 9 9 4 2 2 2 1 2 2 2 5 2 3 3 1 4 3 5 3 3 2 2 2 3 9 12 100 11 11 4 3 45 61 17 15 12 4 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 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 2 2 5 3 5 4 1 2 4 4 7 19 12 23 73 35 14 8 9 6 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 69 69 s 4H | 42 41 q 4H J 66 | 41 41 s 3H | 38 38 s 3H | 13 12 t 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CC[C@H](NC(=O)OC(C)(C)C)C1
ir: 7 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 3 6 9 28 2 2 2 1 1 1 1 1 3 2 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 2 1 1 1 1 1 2 5 3 1 1 1 1 1 1 2 1 1 1 2 2 2 2 1 1 2 2 1 1 1 1 1 2 1 2 2 4 3 2 1 1 1 1 1 1 1 1 2 1 3 2 2 2 2 4 5 3 4 4 3 1 1 1 1 1 1 1 1 0 2 2 0 7 54 1 4 4 28 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 1 1 6 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 1 0 0 1 1 0 1 9 100 18 4 2 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 45 44 m 1H | 43 42 d 1H J 73 | 29 27 m 2H | 27 26 dddd 1H J 18 55 73 126 | 26 25 m 1H | 23 23 s 3H | 21 20 dddd 1H J 22 55 76 128 | 17 16 dddd 1H J 40 55 72 127 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(O)C(=N)/C(=N\OCc1cccc(NC(=O)OC(C)(C)C)n1)c1ccccn1
ir: 7 14 18 17 20 16 28 25 19 30 17 11 17 10 6 6 3 3 2 2 4 7 6 4 5 8 13 4 7 9 8 7 4 4 8 19 23 18 12 4 10 15 3 4 4 12 86 20 2 5 3 3 3 3 17 8 4 3 3 1 2 3 3 5 7 6 2 2 4 7 10 4 2 1 1 1 1 2 4 8 4 9 21 33 8 9 11 5 12 16 6 4 4 3 2 5 18 29 13 25 8 14 3 1 1 1 0 1 2 5 5 7 2 1 1 1 1 1 2 2 3 3 1 3 2 7 9 3 2 4 8 4 1 1 4 5 15 7 5 2 1 1 8 11 7 14 18 43 25 6 13 23 3 4 9 7 10 52 20 5 5 2 1 2 1 1 1 1 1 0 1 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 1 0 1 2 1 1 1 1 4 2 2 2 1 2 3 2 9 8 4 20 55 71 15 8 3 3 4 3 50 8 0 3 2 2 2 2 30 32 1 1 1 0 1 4 14 100 22 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 87 86 dd 1H J 17 43 | 86 86 s 1H | 82 81 s 1H | 79 79 td 1H J 17 72 | 78 77 m 4H | 73 73 ddd 1H J 15 42 73 | 72 71 ddt 1H J 9 18 71 | 70 70 s 1H | 52 52 d 2H J 8 | 34 34 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.
CC(=O)O[C@@H]1C=C[C@H](Cl)CC1
ir: 7 3 2 5 7 12 24 19 1 3 3 3 2 3 3 3 8 11 7 2 6 18 20 8 2 3 3 3 2 2 2 4 24 10 9 0 20 30 18 4 3 2 3 4 8 16 7 5 4 3 4 6 3 1 13 18 4 7 8 3 6 16 15 11 8 14 25 16 5 6 15 12 4 4 5 17 7 9 3 2 3 3 3 2 3 3 2 2 3 3 2 3 5 5 2 9 9 7 1 31 38 17 17 9 4 4 5 7 10 8 14 21 38 10 17 13 22 25 17 8 6 15 7 22 36 9 18 24 6 9 3 3 4 5 4 6 36 23 9 6 5 1 0 100 59 78 16 1 1 4 3 1 2 4 6 6 6 4 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 3 5 5 4 7 8 6 5 6 11 8 8 8 9 8 11 16 40 47 98 53 66 15 4 3 2 3 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 2 2 2 2 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: 60 59 dddt 1H J 9 18 27 103 | 59 59 dddt 1H J 8 17 55 102 | 53 52 dddd 1H J 14 24 30 76 | 42 42 ddddd 1H J 10 18 28 36 63 | 22 21 m 1H | 21 19 m 2H | 20 20 s 3H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(-c2cnc(Cl)nc2NCC2CCCN(C(=O)OC(C)(C)C)C2)cn1
ir: 3 8 12 10 12 11 5 6 6 3 7 13 34 9 8 5 2 1 2 3 2 2 4 3 3 2 1 2 1 2 1 2 2 2 2 1 6 4 5 11 100 8 3 1 3 2 1 1 2 4 3 2 3 2 1 1 2 2 2 1 1 3 2 3 3 3 6 2 3 1 1 1 2 2 1 2 1 1 2 1 1 1 0 1 2 3 1 0 1 4 15 1 4 5 4 1 3 1 2 1 2 1 2 2 2 2 1 4 3 4 9 5 4 2 2 2 9 28 5 9 10 12 22 15 9 5 5 19 7 11 20 14 7 6 7 7 12 3 3 2 5 8 79 8 2 0 1 3 4 5 17 64 9 6 80 11 3 2 1 1 1 2 20 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 3 4 2 1 1 2 2 4 14 5 3 1 1 2 6 10 2 2 1 2 2 1 1 1 1 2 2 2 2 3 2 1 2 6 14 42 30 19 3 2 3 2 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 s 1H | 80 80 s 1H | 76 76 s 1H | 71 71 t 1H J 60 | 39 39 s 3H | 38 37 dt 1H J 59 141 | 37 36 dd 1H J 44 123 | 36 35 m 2H | 34 33 m 2H | 22 21 m 1H | 19 17 m 2H | 17 15 m 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1C(CN)CC2CC1C2(C)C
ir: 1 1 0 2 5 2 1 2 4 4 2 1 0 1 1 1 2 2 3 2 1 2 1 0 0 1 0 0 0 2 1 1 1 1 1 1 1 1 1 1 2 3 4 2 3 6 11 16 6 13 3 8 4 6 7 6 6 8 30 40 27 35 54 7 24 7 20 28 15 28 44 44 13 14 21 18 11 1 15 26 11 8 7 19 13 2 2 2 5 3 3 4 2 1 3 3 3 3 1 3 0 1 5 3 3 10 16 14 17 11 9 5 9 2 2 4 4 4 9 13 14 17 41 21 6 13 13 14 11 6 13 37 96 59 53 18 23 10 9 6 2 3 1 1 3 2 3 2 2 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 1 1 1 1 1 2 2 4 4 2 3 3 5 4 3 5 5 18 7 14 22 15 7 3 5 2 3 4 2 2 1 2 3 5 23 10 27 68 91 61 18 12 6 5 7 61 100 11 8 5 1 1 1 1 3 1 1 1 1 0 1 0 0 0 1 1 1 0 1 1 1 0 1 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; 1HNMR: 29 28 dtd 1H J 29 61 115 | 27 26 dtd 1H J 29 61 114 | 23 22 tdq 1H J 16 44 71 | 21 20 ddd 1H J 57 64 119 | 18 17 m 1H | 18 17 m 1H | 17 16 m 5H | 16 15 ddd 1H J 51 67 134 | 15 13 dqd 1H J 39 72 125 | 12 11 dqd 1H J 39 72 124 | 10 9 dt 6H J 15 172 | 9 8 td 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCn1c(=O)c2c(ncn2CP(C)(C)=O)n(C)c1=O
ir: 2 3 4 4 3 6 4 5 3 3 12 5 2 5 7 5 4 3 3 2 1 3 9 2 2 2 2 1 1 2 2 7 2 4 2 15 15 8 48 43 16 19 9 8 25 3 35 9 10 3 11 11 7 3 5 6 6 2 2 3 3 2 2 4 7 6 20 21 28 22 26 25 14 75 12 20 10 21 9 31 100 69 70 31 15 7 11 4 15 9 9 4 6 4 2 2 3 4 2 6 3 18 8 3 5 12 8 7 27 29 13 18 31 50 98 75 53 44 41 38 40 24 75 26 43 43 43 15 22 6 7 7 4 2 1 3 3 1 2 2 2 2 2 2 5 2 3 13 6 3 6 78 3 0 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 6 12 8 3 6 8 16 12 4 9 9 21 12 24 17 62 97 44 14 11 14 55 27 4 4 3 2 2 2 3 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 82 81 d 1H J 9 | 45 44 dd 2H J 9 119 | 38 37 t 2H J 66 | 35 34 s 3H | 17 16 p 2H J 66 | 16 15 d 5H J 130 | 14 13 m 2H | 13 12 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOC(=O)c1ccccc1
ir: 2 3 2 2 2 2 2 3 2 2 1 1 83 10 2 1 1 1 1 1 1 1 1 1 1 1 1 2 10 14 14 3 3 4 3 2 1 2 2 0 12 39 3 1 1 5 2 1 1 3 2 1 1 2 1 0 1 2 1 2 2 2 1 1 4 7 2 0 8 23 7 1 3 3 2 2 2 3 12 5 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 3 2 1 1 2 1 1 1 1 1 1 1 1 2 10 20 3 6 11 12 12 3 0 3 4 2 1 8 11 4 2 2 3 1 1 2 2 2 3 2 2 1 1 3 3 2 27 100 12 35 39 4 2 2 1 2 1 1 3 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 1 1 2 2 10 8 13 8 28 35 7 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 m 2H | 76 75 m 1H | 75 74 m 2H | 43 42 t 2H J 55 | 19 18 qt 2H J 55 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.
Cn1cc(-c2nc(NS(C)(=O)=O)ncc2OCC2CC2)c2ccc(F)cc2c1=O
ir: 11 8 6 14 10 5 1 6 7 2 3 5 5 3 1 7 5 3 1 6 8 3 2 4 7 2 1 6 5 2 14 13 10 7 5 5 6 2 6 6 6 21 15 18 6 21 6 16 28 11 11 26 18 26 38 18 30 22 29 27 14 1 15 8 3 4 13 7 11 84 36 34 3 1 5 5 3 2 5 5 2 1 4 9 3 4 14 45 19 32 46 33 50 4 10 3 4 4 10 7 6 29 25 24 24 10 7 5 3 7 9 2 2 3 5 2 0 2 7 7 4 11 13 3 6 11 8 5 40 13 18 100 35 5 5 7 2 4 3 2 6 7 5 9 84 10 11 29 19 36 38 9 30 7 14 3 4 30 14 1 2 5 18 17 2 4 2 1 2 3 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 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 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 3 1 2 4 2 1 3 3 3 1 3 5 4 8 7 18 9 7 10 49 37 5 14 9 4 0 3 3 2 1 3 3 2 2 3 3 1 1 2 3 1 1 3 4 2 4 32 42 7 4 3 3 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0; 1HNMR: 93 93 s 1H | 82 82 s 1H | 78 78 q 1H J 9 | 77 76 m 2H | 72 72 ddd 1H J 27 84 103 | 41 41 d 2H J 46 | 36 36 d 3H J 11 | 31 31 s 2H | 14 13 pt 1H J 44 62 | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1cncc(OC)c1
ir: 2 10 12 7 2 4 5 6 14 23 15 5 6 6 6 6 2 10 9 5 2 12 10 3 1 5 6 10 15 10 5 12 46 73 23 7 14 8 7 10 15 23 22 4 3 5 4 1 3 5 4 4 9 15 14 16 6 7 4 9 9 8 26 12 7 15 17 40 31 10 5 2 4 5 3 4 8 7 13 19 21 16 5 2 4 6 2 1 4 4 2 4 9 16 24 8 7 9 6 10 16 16 5 6 9 7 11 26 8 7 5 9 16 40 70 44 21 17 38 28 68 100 25 43 12 10 14 10 8 6 2 6 6 7 26 19 9 4 3 5 7 2 50 64 59 38 17 5 6 7 26 34 7 7 3 5 15 14 11 6 4 2 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 4 7 6 2 5 8 10 4 5 13 4 4 9 15 8 18 34 71 50 63 17 12 9 5 3 3 2 1 3 4 3 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 81 81 tt 1H J 8 17 | 80 80 t 1H J 16 | 70 70 tt 1H J 9 17 | 39 39 s 3H | 37 36 s 3H | 30 30 tq 2H J 9 88 | 28 27 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(CC(CC)NC=O)ccc1Cl
ir: 1 1 1 2 1 3 2 2 1 1 1 0 2 2 4 3 1 2 2 2 2 3 7 10 16 20 61 14 9 5 5 5 15 1 1 5 17 2 3 11 2 2 1 1 2 2 1 2 1 1 2 1 2 3 5 9 7 0 3 1 3 2 4 5 7 3 7 10 18 19 21 16 11 16 11 12 11 1 2 1 1 1 2 3 6 2 2 3 1 2 1 1 2 1 29 8 9 1 2 4 1 6 2 3 8 37 3 6 4 2 3 3 6 4 6 6 7 18 31 9 7 5 5 9 7 8 4 5 5 2 2 1 1 3 1 1 2 1 4 6 8 72 100 16 6 2 4 4 12 9 4 4 6 1 17 54 9 6 2 2 3 8 7 2 1 0 1 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 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 4 2 2 1 2 6 6 3 2 2 3 3 3 8 9 19 24 63 16 8 3 1 2 3 1 1 1 1 1 0 1 2 1 2 4 3 8 7 14 9 20 71 8 10 6 3 2 3 1 1 1 1 1 0 1 1 1 1 3 1 0 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 80 dd 1H J 17 70 | 73 72 d 1H J 81 | 69 69 ddt 1H J 9 17 81 | 67 66 dt 1H J 9 18 | 62 61 dd 1H J 70 93 | 42 41 q 2H J 63 | 38 37 m 1H | 30 29 ddt 1H J 9 71 133 | 28 27 ddt 1H J 9 71 134 | 17 15 dqd 1H J 53 64 128 | 15 14 t 3H J 62 | 14 13 m 1H | 9 9 td 3H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1
ir: 2 3 13 5 2 7 17 7 15 4 2 10 4 4 4 22 2 4 3 2 1 2 2 1 2 3 2 8 1 3 7 7 7 57 48 12 6 10 3 11 4 2 3 3 2 3 14 45 23 8 8 6 34 40 30 28 17 14 10 11 17 4 9 7 9 10 25 10 17 12 4 3 5 3 5 13 3 4 5 2 14 9 6 3 6 11 9 4 5 3 4 2 4 2 7 13 10 10 34 4 6 4 4 10 32 10 4 7 13 58 10 32 16 47 20 11 19 14 5 5 4 5 1 3 3 4 6 6 21 27 22 17 23 15 7 32 81 11 42 22 11 45 6 4 4 4 11 17 3 1 4 4 6 15 13 6 9 16 13 7 19 1 3 5 15 17 2 5 2 1 2 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 3 2 1 3 4 3 6 7 5 16 71 49 17 17 4 3 4 2 0 2 3 2 1 3 3 4 4 7 19 43 100 22 6 4 5 9 11 13 11 8 3 1 1 2 2 0 1 2 2 0 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 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 1 2; 1HNMR: 94 94 s 1H | 93 93 d 1H J 20 | 87 86 dd 1H J 17 48 | 84 83 dt 1H J 18 84 | 83 82 s 1H | 79 78 dd 1H J 71 86 | 75 75 dd 1H J 12 85 | 74 73 dd 1H J 48 85 | 68 68 dd 1H J 12 70 | 36 36 m 4H | 27 27 m 4H | 19 19 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2=CCCC(=O)O2)cc1
ir: 7 4 1 4 4 6 5 4 5 5 8 7 9 4 3 6 11 15 4 3 4 5 10 18 13 6 4 3 5 2 2 3 5 11 9 5 4 2 2 6 14 8 9 5 4 2 3 8 6 0 3 22 13 64 100 65 8 8 25 16 8 18 11 14 13 17 9 29 17 23 24 6 4 4 5 9 6 6 16 10 4 2 3 3 2 2 3 5 5 5 6 9 5 4 5 6 2 3 4 3 1 4 10 11 3 3 5 4 2 3 7 5 6 18 7 4 3 9 14 18 33 78 22 15 13 5 7 5 3 4 9 23 5 4 4 2 2 4 4 2 1 5 5 3 9 63 55 78 59 36 11 7 15 17 4 7 11 11 3 3 3 4 3 7 11 3 3 3 3 3 2 2 3 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 4 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 5 6 12 6 6 6 6 8 10 26 23 58 52 99 72 24 7 7 5 4 4 5 4 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 76 75 m 2H | 70 69 m 2H | 58 57 tt 1H J 9 53 | 38 38 s 2H | 27 26 ddd 2H J 8 67 72 | 22 21 ddd 2H J 53 68 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(n2cc(Br)cn2)CC1(C)C
ir: 2 8 14 5 5 3 6 4 4 6 16 19 18 43 11 13 12 5 5 7 10 3 2 3 4 2 1 1 2 3 1 1 1 1 3 2 1 1 3 1 2 6 1 1 1 1 1 2 1 1 2 2 3 3 1 6 4 8 5 3 7 2 9 15 19 35 25 31 55 49 13 3 2 2 1 3 2 1 1 1 1 1 0 0 1 1 1 2 7 27 16 12 23 71 12 5 4 6 4 6 12 16 14 7 7 3 9 8 8 8 4 5 11 22 12 5 10 4 8 15 77 52 40 16 10 11 6 3 10 8 26 19 13 4 4 5 5 4 4 3 3 4 6 4 5 33 100 5 11 34 22 4 3 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 0 1 0 1 1 0 1 1 1 0 0 1 1 1 1 2 3 4 2 2 4 6 9 7 5 12 11 9 26 32 58 8 9 12 4 15 14 68 33 4 11 5 2 0 2 2 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 s 1H | 78 77 d 1H J 8 | 46 45 pd 1H J 7 36 | 36 36 s 2H | 24 23 th 1H J 15 62 | 21 19 m 3H | 18 17 m 3H | 11 10 d 3H J 14 | 10 10 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)NC(=O)N1CCNc1ncc(-c2ccccc2)c(-c2ccc(Cl)s2)n1
ir: 11 12 5 4 7 4 6 4 9 2 3 3 4 2 4 3 2 3 4 3 1 1 2 2 2 3 4 3 9 3 10 8 5 7 6 6 3 2 3 4 12 22 9 9 27 50 79 7 9 6 4 9 6 45 51 4 7 6 3 0 4 3 2 3 2 2 2 6 5 2 3 0 2 2 1 1 2 3 2 2 1 1 1 6 4 8 2 1 1 1 1 0 1 5 3 1 2 1 2 3 4 3 13 15 6 2 4 2 2 3 1 2 1 2 3 5 8 3 2 5 29 6 10 5 3 4 3 5 2 3 3 2 2 8 10 22 7 17 18 7 6 3 1 2 5 16 11 10 100 14 4 23 2 1 4 34 4 1 1 5 6 99 15 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 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 2 1 1 1 1 1 1 1 1 1 2 3 3 9 7 6 25 8 5 7 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 3 3 2 5 63 13 29 11 6 4 2 2 1 1 1 1 1 1 1 1 1 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 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 96 95 s 1H | 87 87 s 1H | 76 76 m 2H | 75 74 m 3H | 74 73 m 1H | 71 71 d 1H J 71 | 60 60 ddd 1H J 11 23 35 | 39 38 m 4H | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(SCc2ccccc2)c(F)c(F)c1Nc1ccccc1F
ir: 5 3 6 3 3 7 20 16 3 3 3 4 3 3 3 1 3 12 4 6 2 4 5 6 4 15 10 5 7 10 16 7 17 19 5 22 59 30 9 8 9 13 28 91 49 14 3 4 3 5 2 2 1 1 1 1 2 4 1 0 1 1 1 1 1 8 9 4 17 11 12 2 2 7 9 7 7 2 1 0 1 2 3 3 4 2 1 1 4 2 2 3 2 3 0 1 11 5 2 1 8 2 3 2 2 2 3 24 11 3 2 2 1 1 1 1 2 8 22 9 2 2 3 15 4 1 0 3 2 1 2 15 44 21 6 10 8 14 5 3 2 3 23 12 8 37 10 3 8 2 4 7 3 2 10 2 14 13 6 3 11 7 26 12 1 2 1 0 1 1 1 1 1 1 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 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 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 0 1 1 2 2 1 1 1 2 3 12 14 7 9 100 63 18 3 3 4 2 1 1 2 1 1 1 2 2 2 2 2 2 4 24 51 36 10 29 62 60 19 20 6 3 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 91 t 1H J 40 | 76 76 d 1H J 46 | 74 73 m 4H | 73 71 m 5H | 41 40 t 2H J 9 | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1COC(=O)c2ccccc2N1
ir: 11 7 4 2 2 2 4 4 11 21 9 4 8 6 4 7 8 11 22 1 0 3 4 3 8 18 10 2 6 17 4 2 6 18 13 5 8 12 41 25 5 6 9 55 20 5 2 4 6 14 2 4 4 3 2 2 2 11 12 0 2 5 2 0 2 3 3 5 3 5 3 1 2 3 2 1 3 3 1 2 3 3 4 10 3 3 1 1 3 3 1 1 7 5 9 11 2 3 2 2 3 6 2 2 3 15 5 10 45 6 2 3 4 2 2 2 3 2 1 5 13 5 15 11 13 4 1 2 6 3 10 16 6 2 2 7 9 2 37 38 4 2 2 3 2 3 16 11 5 5 17 35 38 100 1 32 34 3 2 4 7 32 11 3 3 1 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 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 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 2 2 1 1 3 2 1 1 3 2 2 2 3 2 6 7 4 2 1 2 3 4 5 7 9 20 57 14 7 3 1 2 3 2 2 2 3 2 1 3 3 2 2 3 4 2 4 6 5 17 60 48 14 12 3 6 5 3 2 4 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 84 83 dd 1H J 14 80 | 79 78 dd 1H J 16 79 | 75 75 td 1H J 15 79 | 74 73 td 1H J 14 80 | 49 48 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C2CCCN(C[C@H](O)C(F)(F)F)C2)c1
ir: 5 4 5 3 5 4 3 9 8 9 7 8 7 7 9 11 18 12 5 4 4 4 4 3 4 5 4 4 4 3 5 8 4 3 4 6 5 5 5 3 4 3 4 3 3 2 6 16 8 5 5 8 5 5 4 7 3 4 4 5 5 4 4 4 9 5 11 7 7 5 6 5 5 4 3 3 5 5 7 4 4 9 7 6 4 4 18 20 13 29 22 6 5 6 4 4 4 10 19 10 6 6 8 8 8 3 5 4 5 4 3 6 5 5 3 4 5 4 3 3 5 6 5 4 3 4 3 4 4 4 3 3 3 4 4 4 3 3 3 4 10 4 3 3 3 3 3 3 3 3 2 3 5 4 7 11 6 3 3 3 3 7 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 2 2 3 3 2 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 4 3 3 3 4 5 4 4 7 6 5 7 16 19 5 4 6 3 0 100 47 17 8 4 2 3 4 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 72 72 t 1H J 78 | 70 70 dq 1H J 10 80 | 69 68 dt 1H J 12 77 | 68 67 q 1H J 10 | 45 43 m 2H | 38 38 s 2H | 31 30 m 2H | 29 29 m 1H | 29 28 m 2H | 27 26 m 2H | 20 19 m 1H | 18 16 m 2H | 16 15 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C1(C2=CCCC2)CCC2(CCNC2=O)CC1
ir: 4 5 8 4 4 6 10 11 16 57 67 24 7 7 13 12 11 7 6 4 1 5 5 2 3 6 8 5 7 64 95 37 8 4 5 7 4 4 3 3 3 4 3 3 4 3 4 2 3 3 3 3 4 5 6 2 6 8 8 5 7 7 4 12 14 9 11 16 16 11 4 2 5 8 3 5 7 5 2 5 5 4 3 4 4 6 8 7 7 4 2 3 5 4 4 6 11 6 6 6 5 9 6 5 17 6 9 5 14 10 8 12 12 11 12 16 17 10 9 12 11 16 19 7 10 5 4 9 5 10 9 11 8 7 8 5 5 6 5 4 4 2 2 2 3 3 3 3 4 3 6 13 100 61 27 13 8 2 4 5 3 0 2 4 2 0 2 4 2 0 2 4 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 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 2 1 3 3 2 2 3 2 2 2 3 3 2 2 3 3 2 3 6 4 6 7 5 7 4 6 4 5 10 12 8 17 14 8 5 3 1 2 3 2 1 3 3 2 1 3 3 2 2 3 4 3 4 6 13 46 43 69 37 12 6 3 5 2 2 6 3 1 1 3 2 1 3 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 65 65 t 1H J 42 | 54 54 tp 1H J 9 37 | 34 34 m 2H | 24 23 m 4H | 23 23 s 5H | 20 19 m 7H | 17 16 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nn(-c2ccc(C(F)(F)F)cn2)cc1CO
ir: 4 2 4 3 2 5 2 1 2 2 2 2 1 1 2 3 4 4 1 3 1 2 3 3 1 5 2 2 4 4 5 1 1 1 1 2 4 27 12 2 3 3 5 2 2 0 1 1 1 0 5 14 6 70 32 20 9 6 2 1 2 2 5 2 1 4 12 10 13 1 4 5 2 1 2 4 4 1 3 3 5 7 7 7 7 22 37 14 16 37 10 5 3 4 2 3 3 5 40 80 5 4 4 6 7 3 2 3 2 3 3 5 46 7 3 3 2 3 9 5 3 5 1 5 5 18 22 14 5 1 3 13 2 0 1 1 1 1 3 35 62 17 7 2 2 0 6 11 2 1 23 32 4 4 3 1 3 1 1 1 1 3 64 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 1 1 1 1 2 2 1 2 2 2 6 8 10 2 3 3 1 5 6 4 11 16 11 13 11 13 8 3 14 100 38 6 3 4 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 4 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 dq 1H J 14 25 | 83 82 d 1H J 110 | 79 78 ddt 1H J 13 33 110 | 75 74 t 1H J 9 | 48 47 dd 2H J 9 59 | 40 39 t 1H J 59 | 28 27 t 2H J 61 | 18 17 qt 2H J 61 78 | 10 10 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1-c1cc(C)nc(C)c1
ir: 3 4 5 6 5 4 4 9 6 8 5 3 3 6 19 8 16 16 11 8 4 2 8 3 4 7 5 3 1 4 4 13 26 5 3 3 27 20 6 4 3 6 8 8 2 4 4 2 5 9 6 15 8 15 19 6 4 5 11 14 24 40 12 36 21 12 36 25 32 50 48 19 51 72 24 8 26 69 20 39 20 7 10 6 38 34 36 39 28 37 100 29 33 14 31 17 17 22 15 8 21 17 12 11 9 6 21 7 4 7 13 4 7 5 7 7 4 25 28 15 11 5 8 9 19 14 9 25 16 12 18 35 14 10 5 13 7 11 11 18 10 17 50 91 50 74 32 81 92 52 33 19 7 19 16 19 7 3 6 4 41 23 10 6 3 2 7 4 6 0 2 1 3 3 2 1 2 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 1 1 2 2 3 3 2 4 4 5 5 5 4 7 6 4 10 30 26 11 25 12 27 14 5 7 6 4 8 4 4 2 5 6 7 10 19 16 47 88 86 75 92 69 30 23 10 10 9 9 11 6 7 7 7 3 4 2 1 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 0 2 2 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 s 2H | 63 62 q 1H J 42 | 39 38 m 3H | 38 38 d 1H J 20 | 36 35 dd 2H J 48 130 | 31 30 d 3H J 42 | 25 25 s 6H | 12 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1-c1cnc2c(-c3cnn(C)c3)cn(C(C(=O)NC3CC3)c3ccccc3)c2c1
ir: 5 7 6 6 5 6 8 7 9 6 3 8 9 9 8 12 8 3 5 4 4 4 5 6 8 5 5 9 7 6 9 15 15 6 4 15 10 12 37 30 28 9 9 15 12 1 6 9 5 2 22 11 4 2 3 6 6 0 7 8 4 3 11 6 5 3 7 12 13 12 27 20 12 9 7 5 7 4 7 5 8 11 5 5 7 4 9 13 22 23 9 6 6 20 17 17 24 10 17 10 12 16 16 17 9 16 13 6 5 5 8 9 7 16 11 14 19 24 25 15 7 9 12 8 4 5 5 3 6 7 11 6 11 26 25 35 25 15 7 8 8 12 11 27 11 34 6 5 5 5 14 7 40 11 7 4 4 5 17 7 4 8 8 5 4 4 6 3 3 4 4 4 3 4 3 2 3 4 3 2 3 4 3 5 6 4 3 4 3 4 3 2 3 4 3 2 3 3 3 2 3 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 4 3 4 5 5 8 4 4 5 3 5 5 6 4 10 15 11 26 19 8 36 23 55 100 60 44 51 46 16 8 6 12 6 6 4 5 4 5 5 4 3 3 4 5 4 5 21 30 5 4 5 6 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 4 3 2; 1HNMR: 85 85 d 1H J 16 | 80 80 d 1H J 16 | 79 79 s 1H | 78 77 d 1H J 7 | 76 76 s 1H | 76 75 m 2H | 74 74 d 1H J 64 | 73 73 m 1H | 72 72 m 2H | 57 57 d 1H J 8 | 39 39 s 3H | 30 29 dp 1H J 48 66 | 26 25 s 2H | 24 24 s 2H | 9 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(C2CCc3nncn3C2)cc1
ir: 20 15 11 9 9 8 7 2 1 2 5 3 3 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 2 4 1 2 1 3 4 3 2 1 2 1 3 2 1 2 1 2 2 2 2 2 2 2 2 2 5 17 13 2 2 1 2 1 1 1 1 1 1 1 2 6 2 1 1 1 1 1 2 4 11 5 3 2 1 1 1 1 1 5 2 7 3 2 2 1 3 4 3 2 3 1 2 1 1 1 2 3 16 4 2 2 2 1 1 1 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 5 2 2 2 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 2 4 2 5 7 7 11 41 14 3 3 2 1 2 11 2 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 2 2 1 1 2 4 9 3 4 12 6 2 3 1 1 2 1 0 1 2 1 1 1 2 1 0 3 40 27 12 1 1 1 1 1 5 2 1 3 100 76 9 2 3 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 85 85 t 1H J 9 | 70 69 m 2H | 66 66 m 2H | 43 42 ddd 1H J 9 62 158 | 42 42 s 2H | 41 40 ddd 1H J 8 61 156 | 32 31 tt 1H J 60 68 | 30 29 ddd 1H J 58 85 167 | 28 27 ddd 1H J 59 86 167 | 23 22 dddd 1H J 59 68 84 143 | 21 20 dddd 1H J 59 68 84 144
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1c2ccccc2C(C)(C)C1C(=O)Nc1c(F)cccc1F
ir: 4 4 5 21 14 6 5 5 9 13 2 10 14 5 5 4 10 6 18 7 5 6 6 5 4 5 30 13 10 12 5 7 10 14 7 10 5 4 10 8 7 0 31 15 6 13 11 23 22 4 8 6 11 7 6 3 4 3 4 10 6 6 6 6 8 4 9 7 4 4 9 5 3 3 8 8 5 3 3 4 4 5 4 5 3 3 7 7 4 4 5 14 6 7 6 5 5 7 7 7 4 4 7 4 4 4 7 14 30 7 4 3 3 4 6 8 8 6 5 5 10 8 5 5 4 4 4 6 23 14 10 17 6 5 4 5 19 14 10 11 5 7 34 28 21 11 71 9 23 100 21 7 6 72 6 4 4 8 4 2 17 5 4 3 3 4 3 3 3 5 3 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 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 7 6 5 3 4 3 3 4 4 3 5 7 6 24 12 19 13 79 34 5 4 7 4 5 5 5 3 2 4 4 3 3 4 4 4 3 4 6 7 16 48 17 10 7 7 6 4 3 5 4 3 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 88 88 t 1H J 43 | 74 74 dd 1H J 9 79 | 73 72 m 3H | 71 70 m 3H | 51 51 hept 1H J 16 | 15 15 d 3H J 14 | 15 15 d 3H J 14 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@H]1Nc1ccccc1
ir: 14 20 14 44 40 18 31 18 9 6 11 8 5 12 30 3 5 16 5 3 2 2 2 1 1 1 2 2 6 7 14 4 2 2 1 2 2 3 11 15 14 86 14 5 3 3 1 4 4 2 2 2 1 1 1 0 2 1 1 1 11 4 2 1 4 5 8 12 4 28 2 1 4 4 2 2 3 2 7 9 2 8 2 1 1 1 0 2 4 12 2 2 2 3 1 1 4 5 15 1 3 3 1 4 5 61 5 5 2 4 4 3 2 2 4 4 6 13 17 8 10 9 11 19 8 18 10 21 2 9 4 3 8 4 25 29 8 4 3 4 8 6 13 17 18 7 32 11 9 3 56 17 15 85 5 1 1 1 1 1 2 26 3 2 2 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 2 5 1 2 1 4 3 4 6 10 10 16 29 100 49 21 7 6 4 1 2 3 1 1 0 1 1 0 1 1 0 1 2 3 3 9 7 64 40 49 19 3 2 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 71 70 m 2H | 68 68 tt 1H J 12 69 | 67 67 m 2H | 52 51 s 2H | 45 44 d 1H J 88 | 37 36 m 2H | 34 33 m 2H | 31 30 dddd 1H J 30 58 70 88 | 22 21 dddd 1H J 29 60 89 128 | 19 18 m 2H | 10 10 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)NC(=O)Nc2cccc3c2/C(=C/c2ccc[nH]2)C(=O)N3)cc1
ir: 1 4 2 1 1 1 2 1 1 9 5 2 5 3 3 3 5 5 11 4 4 4 3 3 3 5 3 1 1 2 2 1 1 3 3 5 3 5 3 3 1 4 4 46 47 13 4 3 8 7 5 29 42 100 24 13 9 9 8 6 2 2 3 1 2 2 1 1 2 2 2 4 4 2 1 1 3 8 4 1 1 2 2 1 3 1 1 2 2 1 1 1 4 3 3 3 3 1 1 1 5 5 1 2 4 8 4 5 5 5 4 2 3 5 1 1 1 1 1 1 2 3 4 2 2 2 1 1 2 1 1 17 12 2 4 2 2 1 1 6 4 3 5 7 4 2 2 11 33 22 34 51 57 18 17 6 3 8 2 7 27 9 2 6 1 1 2 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 6 12 21 11 13 14 8 3 2 1 1 1 2 1 1 1 1 1 1 2 3 2 3 5 8 16 29 53 35 12 15 9 2 1 2 3 2 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 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; 1HNMR: 100 100 s 1H | 99 99 d 1H J 64 | 79 79 m 2H | 77 77 dd 1H J 12 80 | 76 76 s 1H | 75 75 dd 1H J 11 79 | 74 73 t 1H J 79 | 71 71 dd 1H J 17 65 | 70 70 m 4H | 63 62 dd 1H J 32 63 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1ccc(-c2ccccn2)cc1
ir: 2 2 5 16 12 3 1 3 4 3 5 8 5 3 8 12 10 2 2 2 2 1 1 1 1 1 4 4 2 2 2 3 4 4 4 4 3 0 7 85 58 11 5 1 1 2 2 2 2 2 3 9 8 53 46 11 3 8 4 12 5 2 4 9 2 4 14 24 3 14 3 11 7 3 2 1 2 4 5 7 3 2 4 4 2 2 2 2 3 19 12 2 3 1 1 1 2 5 4 3 4 5 2 1 2 1 1 1 1 1 1 2 2 2 2 3 6 7 6 3 4 4 4 3 7 3 3 2 2 1 2 3 2 1 26 100 11 3 2 2 2 1 2 2 3 4 5 42 9 12 10 6 8 22 20 8 28 19 4 1 2 2 2 4 2 2 1 1 1 1 1 1 1 2 1 1 2 2 1 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 1 1 1 1 2 1 2 2 2 2 2 2 2 2 4 3 2 4 5 5 5 47 82 46 29 8 3 4 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 86 m 1H | 80 79 m 2H | 77 76 m 2H | 75 74 dq 2H J 9 81 | 72 72 ddd 1H J 22 40 65 | 38 38 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](NC(=O)OC(C)(C)C)c1[nH]ccc1C(=O)OC(C)(C)C
ir: 9 9 7 5 7 3 3 5 2 3 7 6 6 6 50 8 4 1 1 2 4 3 1 2 2 6 17 22 7 4 37 32 4 5 4 5 2 6 3 2 7 66 14 1 1 2 1 1 5 2 1 0 1 2 2 2 1 2 1 0 1 4 3 0 1 1 1 0 1 1 1 0 2 1 0 0 1 1 1 1 3 2 0 0 1 1 0 1 1 1 1 3 3 6 1 2 4 4 2 2 1 3 1 1 3 3 8 3 3 3 9 2 4 20 8 12 22 17 5 9 7 6 3 4 3 7 2 3 3 9 5 10 3 1 1 1 1 1 1 2 4 7 6 100 64 28 11 74 8 6 13 4 5 51 5 4 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 4 2 1 2 1 1 2 2 4 3 3 4 8 26 7 3 1 6 10 2 23 4 2 2 1 1 1 1 1 1 1 1 1 3 1 2 2 4 3 11 45 23 28 21 34 10 4 1 1 2 1 0 0 1 1 0 0 1 1 0 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 94 93 d 1H J 73 | 73 72 d 1H J 44 | 70 70 dd 1H J 42 73 | 59 58 d 1H J 75 | 50 49 dtq 1H J 16 44 73 | 21 20 dqd 1H J 43 70 125 | 19 18 dqd 1H J 42 70 124 | 16 16 s 8H | 14 14 s 8H | 11 10 td 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(Br)ccc2c1C(O)CO2
ir: 23 14 16 15 20 9 9 6 2 2 3 2 5 7 9 4 7 8 7 8 8 5 5 2 2 3 4 3 3 2 3 3 2 4 3 2 3 2 4 10 8 10 8 3 4 5 4 3 4 2 4 24 10 19 9 2 2 4 3 1 2 3 2 2 4 4 2 7 6 2 2 3 3 2 3 2 2 2 2 4 5 7 10 29 28 50 19 7 4 3 3 2 5 4 2 2 3 2 3 5 6 2 1 2 3 2 4 4 2 2 2 3 4 3 2 2 2 2 2 2 3 5 2 2 2 2 2 2 3 2 5 2 2 2 2 2 2 2 2 5 4 3 2 2 1 2 2 2 2 14 26 22 2 2 5 82 50 100 12 19 7 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 2 3 3 5 4 3 5 4 6 6 3 2 2 2 2 3 8 7 7 2 1 2 3 1 0 19 35 68 7 2 1 2 2 1 3 4 4 1 50 100 6 4 3 1 1 3 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 d 1H J 88 | 67 67 d 1H J 90 | 58 57 d 1H J 51 | 55 54 dt 1H J 38 51 | 51 51 s 2H | 45 44 dd 1H J 38 113 | 42 42 dd 1H J 38 112
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ncc2c(c1O)c(Br)c(Br)n2Cc1cccc(OC)c1
ir: 7 12 8 7 4 7 9 6 6 8 9 10 8 13 8 9 11 7 7 6 6 12 8 9 9 28 10 8 14 16 23 81 24 69 25 16 10 9 10 8 6 6 5 9 7 13 47 2 10 11 6 6 10 7 8 10 6 8 6 4 5 10 7 6 16 10 9 14 9 12 6 5 6 7 7 5 5 10 22 7 7 7 5 6 6 6 14 11 8 32 13 5 8 8 6 9 30 34 24 11 10 7 5 7 9 5 5 7 9 24 70 27 17 16 10 14 6 6 6 7 6 6 6 7 8 7 9 9 8 8 10 10 8 9 5 5 6 5 5 7 17 10 8 6 5 5 20 7 5 5 9 7 7 6 12 16 6 5 5 6 6 8 6 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 4 5 5 5 5 4 5 5 5 5 5 5 4 5 5 5 5 4 5 5 5 5 5 5 5 5 6 7 5 5 6 6 5 6 5 5 6 5 7 6 10 21 10 10 52 22 0 100 96 11 10 8 6 5 6 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 87 87 s 1H | 73 72 m 1H | 71 70 ddq 1H J 10 20 69 | 69 68 ddd 1H J 12 21 73 | 68 68 tt 1H J 9 22 | 55 55 d 2H J 9 | 44 44 q 2H J 64 | 38 38 s 3H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(F)(C(c2ccccc2)n2cc(N)cn2)CC1
ir: 5 23 24 32 28 18 19 13 15 13 21 20 9 7 5 4 2 3 3 3 2 2 2 1 2 2 2 2 2 3 2 3 1 2 4 5 8 36 16 3 2 9 12 3 2 4 1 0 2 3 2 1 1 3 2 0 2 2 2 0 2 4 3 1 1 3 4 7 4 8 4 1 1 2 1 2 2 2 1 1 2 2 17 4 4 4 1 1 8 6 1 5 15 3 1 2 2 2 2 2 3 2 1 2 2 1 1 2 3 3 1 2 5 2 6 4 3 6 11 12 7 13 8 6 5 3 3 4 3 6 4 7 6 4 4 29 15 6 2 3 3 2 2 6 4 3 2 6 4 11 18 31 25 15 7 3 2 1 1 2 3 13 15 4 2 1 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 2 2 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 3 3 3 4 2 4 4 7 17 12 13 33 17 8 8 2 3 3 1 1 2 2 1 1 1 1 1 1 3 16 17 5 1 1 1 1 1 1 4 6 12 100 46 3 7 3 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 73 d 1H J 9 | 73 72 m 6H | 71 71 s 1H | 52 52 m 1H | 38 37 m 2H | 35 34 ddt 2H J 35 67 123 | 31 31 s 2H | 26 25 tdd 2H J 37 64 141 | 23 22 tdd 2H J 37 64 141 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn([C@@]23C[C@H](O)[C@@H](CO)[C@@H]2C3)c(=O)[nH]c1=O
ir: 4 3 1 2 1 2 2 2 1 2 2 1 2 2 1 2 3 2 5 2 5 5 2 2 3 1 2 1 4 2 2 2 2 1 1 1 1 1 2 1 1 0 1 1 1 6 3 3 3 1 2 3 8 25 100 15 4 2 3 2 3 5 7 5 2 0 1 1 1 2 1 1 1 0 1 1 0 1 1 1 1 1 3 4 4 4 5 8 12 10 10 19 4 9 6 4 3 7 3 5 1 4 2 1 1 1 1 1 1 1 8 6 3 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 3 2 8 2 0 0 0 0 0 0 0 0 0 1 1 0 4 35 4 3 28 8 2 1 1 2 2 1 1 0 22 17 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 1 3 1 2 1 3 1 3 1 1 1 5 6 9 4 3 6 3 2 1 1 0 1 1 0 1 1 1 1 1 3 7 25 19 4 4 10 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 s 1H | 75 75 q 1H J 16 | 41 40 dddd 1H J 16 34 43 63 | 39 39 d 1H J 42 | 38 38 ddd 1H J 36 53 114 | 37 37 t 1H J 53 | 36 35 ddd 1H J 36 53 112 | 22 21 dd 1H J 16 124 | 20 20 ddd 1H J 15 26 62 | 19 18 m 6H | 17 16 dd 1H J 24 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNC(=O)c1ncc2nc(Oc3ccccc3)sc2c1O
ir: 0 1 3 3 1 2 1 2 10 3 2 2 2 7 4 6 5 7 21 10 5 74 19 9 7 4 3 3 3 4 7 5 2 4 1 3 5 15 22 3 24 1 3 2 1 2 4 5 3 1 2 1 1 1 1 0 1 1 0 0 0 0 0 0 1 1 0 1 3 1 1 1 1 3 1 2 5 4 6 26 2 3 4 1 1 8 4 3 1 1 0 3 3 1 0 5 18 10 3 1 1 2 4 1 1 1 0 10 100 2 4 2 0 1 1 1 0 1 5 3 3 1 1 1 3 19 0 1 1 1 3 5 22 3 2 3 0 1 1 2 1 3 16 12 16 2 4 2 1 17 2 2 2 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 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 1 1 1 1 0 0 1 0 2 2 3 2 6 15 7 10 2 3 25 25 6 4 6 53 13 5 1 1 1 0 1 1 1 1 2 1 7 5 5 6 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 88 87 t 1H J 70 | 74 73 m 2H | 72 71 m 2H | 70 70 tt 1H J 14 75 | 41 40 d 2H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc2c(c1)N(c1ncc(Br)cn1)CC21CC1)N1CCOCC1
ir: 2 2 2 1 0 1 1 1 0 1 1 1 1 1 1 0 2 3 2 2 9 2 3 1 4 4 2 5 3 7 31 2 1 1 2 3 7 8 8 13 7 6 11 2 2 1 2 1 1 2 3 10 28 32 23 9 4 1 2 3 3 2 3 1 2 2 2 11 11 8 7 11 7 20 1 1 1 1 3 6 4 1 3 4 3 2 3 2 2 1 1 2 1 2 6 1 1 1 2 2 1 1 1 2 1 4 6 2 1 1 1 2 5 5 1 3 2 6 5 8 6 9 6 12 11 7 6 1 2 4 4 2 0 2 4 6 8 22 9 2 1 2 4 4 76 18 12 23 100 21 9 78 15 9 4 5 3 76 8 3 5 2 0 1 3 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 1 1 1 3 9 2 7 7 8 6 10 5 3 5 9 3 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 2H | 76 76 d 1H J 21 | 75 75 dd 1H J 21 87 | 74 74 d 1H J 87 | 42 41 s 2H | 37 36 dd 4H J 44 53 | 35 35 m 4H | 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.
Brc1csc(N2C3CCC2COC3)n1
ir: 1 1 1 3 12 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 13 3 4 2 1 1 2 9 11 2 1 1 1 1 1 7 13 6 1 19 2 3 1 2 3 1 1 2 1 3 3 7 3 8 1 1 2 2 1 21 5 42 2 1 3 4 1 12 4 1 0 1 1 0 2 1 2 3 2 1 4 3 10 27 5 0 10 2 1 1 1 1 1 3 18 7 14 7 13 28 8 11 7 13 7 16 6 3 2 3 5 3 2 2 11 9 5 10 93 26 4 5 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 0 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 1 2 3 4 7 10 15 6 4 8 7 22 23 7 100 24 4 41 8 2 1 1 1 2 1 1 1 1 2 1 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 68 67 s 1H | 40 40 m 4H | 38 37 m 2H | 21 20 tdd 2H J 15 32 100 | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NCC[C@H]1F
ir: 0 3 5 3 2 5 9 7 3 6 18 12 43 28 75 18 14 9 6 7 9 6 16 13 33 16 19 21 10 11 4 2 2 4 4 1 1 5 4 2 4 5 4 3 3 5 4 3 3 6 5 3 3 4 3 1 4 8 9 5 10 5 4 1 3 5 7 4 7 7 6 3 7 4 3 4 3 3 2 1 3 3 1 1 3 3 1 1 4 3 1 1 3 3 3 4 4 5 1 2 3 3 1 2 5 4 3 3 6 8 15 6 13 5 1 4 6 6 4 6 11 9 8 9 5 6 6 10 17 16 12 7 4 2 2 3 3 1 1 3 3 2 2 4 3 2 2 3 3 3 9 25 44 97 100 11 12 5 3 5 3 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 2 2 3 3 1 1 3 2 1 1 3 2 1 1 3 2 2 2 4 4 2 4 4 4 3 4 5 4 4 3 3 3 1 2 4 2 1 2 3 2 1 2 4 2 2 3 5 3 2 5 5 3 5 3 11 21 19 28 44 18 13 7 5 3 1 3 3 1 2 3 3 2 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 66 66 q 1H J 35 | 50 50 ddd 0H J 18 30 49 | 49 49 ddd 0H J 18 30 49 | 34 34 ddqd 1H J 17 33 51 135 | 33 32 ddq 1H J 34 51 130 | 24 22 dddt 1H J 32 51 150 169 | 21 20 ddtd 1H J 32 50 150 168
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CNC(=O)c1ccc(Cl)nn1)C1CC1
ir: 1 2 2 2 2 2 3 2 4 17 22 6 2 2 2 1 0 1 1 1 0 1 2 2 5 21 34 8 4 2 2 59 42 11 9 7 9 19 10 11 32 30 26 6 14 3 3 2 2 3 4 3 8 4 20 11 4 3 2 1 1 1 1 1 1 1 2 1 2 6 4 1 1 1 1 2 5 2 2 6 3 1 2 1 1 2 6 11 2 6 26 2 5 17 3 5 5 2 3 3 2 2 2 2 11 3 3 2 2 3 3 5 3 4 5 2 4 14 14 3 1 2 3 2 3 7 13 11 50 11 12 5 3 2 2 2 2 3 11 12 1 5 13 9 100 68 25 18 18 15 17 13 28 12 5 3 3 6 5 3 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 2 3 1 2 6 16 10 3 11 9 17 49 47 9 9 8 4 2 2 1 1 1 3 1 2 3 2 2 3 5 20 17 7 14 7 16 42 26 23 8 3 3 3 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 80 | 77 77 d 1H J 80 | 76 76 t 1H J 66 | 34 33 ddd 1H J 33 66 126 | 31 31 ddd 1H J 32 66 126 | 18 17 dqt 1H J 32 53 73 | 12 11 ttdt 1H J 15 46 58 73 | 9 9 dd 3H J 15 54 | 6 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cnn(C)c2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncc(C(F)(F)F)cc2F)c1
ir: 8 5 13 44 5 8 11 5 5 12 15 8 27 17 24 16 4 4 6 4 5 3 8 2 7 5 5 3 2 1 5 4 1 4 4 3 1 5 7 7 6 23 4 9 2 4 4 1 3 3 3 2 4 5 22 16 9 5 3 5 11 14 34 9 5 6 12 13 24 6 5 17 12 4 4 3 5 5 1 3 6 32 18 2 1 3 3 3 15 6 5 4 16 15 3 13 11 10 7 100 12 28 15 6 1 39 17 19 6 22 9 29 16 16 17 14 19 11 34 15 39 29 11 32 20 8 11 9 10 13 4 3 5 8 9 10 6 10 8 4 9 8 4 5 33 8 7 7 11 21 49 4 2 0 1 1 2 1 1 1 1 1 1 1 2 1 26 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 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 0 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 5 6 8 4 0 12 6 3 7 7 8 25 15 15 21 78 56 41 30 50 35 16 16 8 6 3 3 4 3 2 2 0 0 1 2 1 2 1 1 1 1 3 4 24 16 8 20 5 4 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 0 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; 1HNMR: 82 82 p 1H J 13 | 80 79 d 1H J 84 | 79 79 s 1H | 78 77 m 2H | 77 76 m 1H | 74 74 ddd 1H J 10 22 90 | 60 60 td 1H J 44 54 | 41 41 ddd 1H J 54 67 136 | 39 39 s 3H | 39 37 m 3H | 35 35 m 1H | 24 23 d 3H J 9 | 22 21 m 1H | 19 18 ddtd 1H J 35 62 89 124 | 18 17 m 2H | 14 13 m 1H | 10 9 d 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(NC(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1
ir: 1 2 4 3 8 6 2 10 14 7 7 4 2 2 3 2 1 2 2 4 2 1 1 2 4 4 6 4 9 5 2 3 3 3 2 3 5 3 11 62 100 93 21 5 6 6 9 10 7 5 5 14 4 12 26 5 11 8 3 1 2 4 1 2 2 4 6 10 14 18 1 3 1 4 11 5 2 2 4 10 13 10 7 5 5 2 1 2 3 3 2 4 4 4 11 3 14 10 5 7 1 5 8 10 7 4 3 7 7 3 1 2 4 11 5 9 3 4 4 3 3 2 3 5 6 4 10 8 6 3 7 15 5 6 9 66 11 4 1 3 4 3 34 10 11 18 48 37 7 77 6 41 10 13 24 11 11 14 2 2 2 1 3 3 2 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 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 1 1 1 1 1 1 2 0 2 4 2 1 2 4 4 3 10 11 16 48 54 22 7 2 2 2 3 3 2 2 3 2 2 4 3 4 2 2 4 4 2 7 30 54 60 26 26 6 4 3 2 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 98 98 s 1H | 86 86 dd 1H J 16 41 | 81 80 d 1H J 22 | 80 80 d 1H J 21 | 80 79 dd 1H J 20 86 | 79 79 d 1H J 86 | 78 77 m 2H | 77 76 dd 1H J 22 81 | 75 75 d 1H J 81 | 72 71 m 2H | 39 38 dp 1H J 44 79 | 29 28 ddd 2H J 61 88 126 | 25 24 ddd 2H J 60 88 126 | 24 23 s 2H | 20 19 dddd 2H J 44 60 88 130 | 18 17 dddd 2H J 45 61 88 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@]1(c2cccs2)CCN([C@@H](C)c2ccc(Br)cc2)C(=O)O1
ir: 0 3 4 4 3 15 31 17 18 5 7 6 7 3 6 11 22 47 4 5 3 2 3 4 5 3 3 3 6 6 11 3 3 3 7 5 6 6 17 10 15 9 4 1 2 4 3 0 2 6 2 2 9 5 64 54 52 9 3 2 6 5 5 4 2 7 10 2 44 24 23 8 11 15 6 1 3 22 5 2 3 4 6 4 7 9 2 3 5 5 5 9 35 31 4 2 2 2 1 2 3 2 1 1 3 2 1 2 3 2 1 4 3 8 4 10 10 6 9 20 6 24 4 11 7 17 40 23 26 11 18 84 8 4 11 73 11 8 9 8 4 2 2 3 3 9 24 14 11 5 82 3 10 4 5 3 3 2 3 3 2 1 1 3 2 1 2 3 2 1 2 2 2 0 2 3 1 1 2 3 1 1 2 2 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 2 2 0 1 3 1 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 3 3 6 10 4 3 5 16 10 7 22 42 15 32 42 51 100 55 43 17 13 6 5 3 3 1 1 2 2 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 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 75 74 m 2H | 74 73 dd 1H J 18 37 | 73 72 m 2H | 70 69 m 2H | 58 57 ddt 1H J 71 110 165 | 53 52 dq 1H J 13 163 | 51 50 dq 1H J 13 110 | 49 48 m 1H | 35 35 ddd 1H J 31 59 123 | 33 33 ddd 1H J 32 59 125 | 29 28 ddt 1H J 14 70 154 | 27 26 ddt 1H J 15 71 154 | 26 25 ddd 1H J 32 59 132 | 24 23 ddd 1H J 31 59 132 | 15 14 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ncc(Br)c(N2CCC3(CC2)NCCNC3=O)c1Cl
ir: 5 8 23 11 4 7 7 6 7 4 9 9 3 3 7 5 3 6 5 28 3 4 5 6 6 4 6 5 6 4 6 5 5 4 100 9 5 3 4 8 29 6 4 3 3 4 4 2 5 8 25 7 14 5 8 3 3 2 6 4 4 3 3 14 2 5 7 4 5 3 2 2 5 3 2 3 3 5 6 10 19 7 3 2 3 3 4 6 4 5 31 5 11 8 3 7 4 8 12 3 2 4 4 5 5 3 2 2 3 2 2 6 6 5 4 4 7 16 6 5 3 13 6 4 4 4 4 7 10 19 50 6 3 3 3 3 3 3 4 3 3 2 2 3 3 3 3 3 4 28 6 40 78 40 9 9 11 79 6 0 2 4 3 2 2 3 2 1 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 3 2 2 2 3 3 4 3 4 3 3 3 3 2 3 4 11 6 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 9 16 16 4 5 12 17 9 9 14 8 4 7 65 9 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; 1HNMR: 82 82 s 1H | 60 59 t 1H J 42 | 58 58 s 2H | 38 37 ddd 2H J 33 60 130 | 35 34 ddd 2H J 33 60 132 | 34 34 m 2H | 28 28 m 2H | 24 24 t 1H J 43 | 22 22 ddd 2H J 33 60 139 | 20 19 ddd 2H J 33 60 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(Cl)c2cccnc2n(C)c1=O
ir: 4 8 6 4 5 7 6 7 37 19 12 9 7 24 8 15 3 5 4 4 4 5 3 6 2 5 5 22 3 3 2 2 2 3 3 10 13 84 19 7 33 6 4 3 4 7 7 39 40 23 13 5 3 5 4 2 2 4 3 2 4 16 18 8 5 4 3 2 3 4 16 4 5 4 3 6 5 3 2 7 7 4 2 2 2 3 2 2 3 9 6 2 3 2 1 2 3 2 2 3 4 3 3 14 25 23 5 4 5 8 13 31 12 9 2 3 5 4 9 3 5 3 1 4 11 3 2 5 8 3 5 4 3 4 11 31 11 10 5 11 63 10 4 3 4 2 3 11 5 5 20 40 8 4 3 9 5 19 63 7 100 23 3 0 2 3 2 1 2 2 2 1 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 3 2 2 3 3 2 3 3 2 3 4 4 4 9 16 9 9 35 24 14 5 5 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 86 85 dd 1H J 20 48 | 80 80 dd 1H J 22 82 | 73 73 dd 1H J 47 81 | 43 42 q 2H J 71 | 37 37 s 3H | 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.
CCOc1cccc2c1CCN2
ir: 16 17 17 15 19 15 17 16 16 15 16 17 17 16 14 16 16 14 14 14 16 16 16 16 15 14 15 14 14 14 14 14 14 13 14 14 13 13 13 13 13 13 14 15 15 0 59 100 34 25 22 16 16 13 14 14 13 15 15 17 13 16 16 15 14 16 15 15 15 14 14 14 15 16 14 19 22 21 16 18 16 19 17 15 14 14 13 14 34 29 16 15 16 15 16 17 16 13 14 14 14 14 15 17 15 34 24 26 21 19 21 27 23 19 15 18 17 16 17 16 16 15 13 15 17 20 15 17 16 18 19 25 52 50 54 34 19 28 20 18 16 62 28 62 17 16 14 15 16 16 15 14 14 15 15 16 16 25 91 43 23 16 15 15 14 13 14 14 13 13 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 13 13 14 14 14 15 14 16 16 16 15 16 15 15 17 16 20 23 21 40 23 65 45 21 23 17 18 17 15 15 14 15 14 14 14 15 15 14 15 19 38 44 65 52 92 75 58 38 42 25 16 17 19 20 15 15 15 14 15 14 14 14 14 14 14 14 14 14 14 14 14 13 14 14 14 13 14 13 14 14 13 13 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13; 1HNMR: 71 70 m 1H | 66 66 dd 1H J 12 80 | 64 63 dd 1H J 11 81 | 43 42 t 1H J 31 | 41 40 q 2H J 62 | 36 36 m 2H | 31 29 q 2H J 36 | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc(F)cc1)c1nc(N2CCNC2=O)c2cccnc2c1O
ir: 0 1 1 1 1 1 1 1 6 6 4 2 1 2 9 4 1 1 4 2 12 8 9 9 1 4 4 27 26 5 10 31 17 6 2 9 9 7 4 12 10 8 7 37 1 7 1 1 3 4 3 7 8 48 8 0 3 1 1 0 1 2 2 1 2 1 1 0 1 3 1 1 1 1 1 1 1 2 5 10 2 2 0 3 4 10 8 3 5 8 2 7 7 3 2 27 4 7 3 4 6 2 8 1 2 1 0 1 1 3 3 5 1 1 1 2 1 1 7 6 3 4 2 2 3 2 1 1 1 2 7 3 6 1 1 1 11 2 3 7 5 3 6 13 4 58 8 3 2 4 6 3 8 1 1 3 2 100 13 2 1 2 1 2 18 2 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 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 2 1 1 1 1 1 1 1 1 3 3 6 9 18 15 10 3 4 1 2 2 2 86 3 1 1 1 1 1 2 2 2 2 1 2 3 4 11 21 7 4 2 3 2 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 88 87 dd 1H J 21 41 | 85 84 t 1H J 60 | 82 82 dd 1H J 20 90 | 75 75 dd 1H J 41 89 | 74 74 ddt 2H J 8 35 78 | 72 71 m 2H | 63 63 t 1H J 22 | 46 46 dt 2H J 9 60 | 41 41 m 2H | 35 34 td 2H J 21 39
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nccc(OCc2ccccc2)c1N
ir: 2 2 1 4 1 5 7 5 4 6 7 6 10 2 4 6 7 7 6 11 11 7 8 12 7 10 9 9 9 9 6 12 11 2 4 2 4 1 2 14 25 3 1 2 3 4 6 5 3 3 2 2 2 2 2 2 1 2 2 1 2 3 1 1 2 2 3 2 5 4 3 4 9 6 4 1 1 1 2 2 0 1 3 2 1 1 1 1 4 12 5 2 3 7 3 2 7 9 1 1 0 1 1 1 0 0 1 0 0 0 1 1 6 1 0 1 0 1 1 0 0 1 1 4 4 1 1 1 1 1 1 1 1 1 4 14 1 2 4 6 11 3 5 9 9 14 33 7 23 14 6 16 16 11 4 15 17 8 3 10 4 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 0 1 0 4 7 10 28 18 4 3 2 1 2 1 1 1 1 1 1 1 1 2 1 3 11 28 36 3 2 2 1 1 1 1 2 4 26 100 12 2 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 d 1H J 53 | 74 74 dq 2H J 10 74 | 74 73 m 2H | 73 73 m 1H | 66 66 d 1H J 53 | 61 61 s 2H | 53 53 s 2H | 51 51 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(CCl)nc2cnccc12
ir: 2 2 2 2 2 5 2 2 2 2 2 2 2 2 2 4 2 4 8 4 2 3 6 6 2 3 3 19 2 2 2 2 4 2 2 2 2 3 3 5 8 8 3 4 25 15 3 0 6 3 2 4 3 5 3 3 2 2 2 4 3 2 2 2 2 2 2 2 2 2 3 2 2 2 2 4 2 2 2 2 2 6 2 2 2 2 2 2 2 2 2 2 2 2 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 2 3 2 3 2 2 2 2 2 2 3 6 7 3 2 2 2 2 2 2 22 2 2 2 2 2 2 3 5 6 2 7 2 2 3 4 2 2 2 2 4 2 3 2 2 3 8 100 5 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 5 2 3 13 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 4 13 6 58 4 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 90 90 d 1H J 14 | 86 86 dd 1H J 14 41 | 80 79 d 1H J 41 | 46 45 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC1CC1)NCc1cc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)ccc1F
ir: 3 6 8 3 5 4 6 3 3 4 10 4 2 3 5 3 2 4 4 3 1 5 7 13 6 3 6 12 4 19 29 25 34 18 9 30 5 13 9 8 15 9 12 13 2 10 4 3 2 5 9 7 5 45 31 8 6 4 5 5 4 5 3 10 27 7 8 9 11 15 10 5 3 6 2 1 4 2 2 1 2 2 1 3 5 6 4 9 5 3 3 4 6 9 14 6 11 6 100 3 21 9 6 8 5 5 4 11 10 4 0 17 3 4 2 3 2 4 3 11 18 10 15 9 15 17 18 25 12 12 5 10 5 2 1 3 7 11 4 9 33 45 51 19 99 72 25 31 11 8 15 11 6 4 3 11 2 2 1 2 4 17 3 3 1 0 1 3 2 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 2 1 2 5 8 8 4 4 4 6 4 7 11 11 31 18 17 55 51 13 15 3 6 5 3 3 2 4 3 1 3 3 1 1 4 6 9 9 6 23 24 21 36 11 17 6 3 3 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 77 77 ddd 1H J 20 38 82 | 74 74 s 2H | 74 73 m 2H | 72 71 dd 1H J 82 102 | 47 46 ddd 2H J 9 36 65 | 35 34 dq 1H J 22 163 | 32 31 dq 1H J 24 163 | 24 23 d 2H J 69 | 16 15 tt 1H J 60 69 | 7 6 m 2H | 4 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)OCC(C)O2
ir: 3 10 5 1 1 3 7 10 3 1 1 1 1 7 7 3 8 13 7 4 3 5 11 10 3 1 0 1 1 0 0 1 1 0 1 1 5 1 1 1 1 3 13 3 1 1 1 1 1 1 1 23 30 32 52 46 46 1 3 8 2 4 6 10 7 7 69 47 11 41 7 8 7 4 13 5 3 7 11 3 2 1 1 2 1 1 1 6 47 3 8 3 0 1 9 9 0 0 1 1 0 2 5 5 5 13 2 1 3 2 2 1 3 1 1 1 2 3 3 9 6 4 7 3 3 2 5 5 2 2 4 2 0 1 1 1 0 1 1 1 1 3 2 10 24 2 2 0 0 3 72 7 17 14 2 11 9 2 1 0 1 1 15 2 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 2 1 2 4 7 1 0 2 4 4 0 3 4 3 4 12 6 64 83 17 75 100 32 4 6 1 2 2 1 1 2 0 0 1 1 0 0 0 1 1 1 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 70 69 d 1H J 87 | 67 66 dd 1H J 23 87 | 65 65 d 1H J 23 | 46 46 qt 1H J 35 57 | 44 44 dd 1H J 35 115 | 42 42 dd 1H J 35 115 | 38 38 s 2H | 14 13 d 3H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Oc2ccc(Nc3ncnc4ccc(I)cc34)cc2C)cn1
ir: 5 7 8 9 10 11 8 7 6 9 7 13 10 6 7 18 13 7 7 6 9 7 7 9 4 10 11 0 81 37 21 15 11 22 10 8 6 5 6 7 8 10 5 6 6 4 5 5 14 7 6 11 8 18 34 14 35 5 7 9 5 6 6 7 8 7 7 12 8 10 12 9 7 5 6 6 7 6 7 7 8 5 5 5 6 21 35 15 5 11 7 7 18 5 7 9 25 19 8 6 5 5 6 6 5 23 15 6 6 19 10 5 5 5 5 7 7 8 6 8 7 5 10 6 9 5 7 6 4 5 7 6 5 5 6 9 7 20 35 6 5 8 6 7 45 6 13 34 25 14 11 66 41 15 33 18 7 51 12 7 7 4 6 29 11 22 16 4 5 5 5 4 5 5 4 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 5 4 5 5 4 4 5 4 4 5 5 5 5 5 5 5 5 5 5 7 6 6 6 6 6 8 7 16 20 13 52 41 21 10 10 7 5 5 6 5 6 5 5 5 6 5 5 6 6 5 6 6 6 7 11 67 100 27 17 11 5 8 6 5 4 5 5 4 4 6 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4; 1HNMR: 92 92 s 1H | 85 85 s 1H | 84 84 d 1H J 23 | 81 81 d 1H J 18 | 78 78 dd 1H J 21 78 | 78 78 d 1H J 78 | 75 75 d 1H J 22 | 75 74 dd 1H J 21 83 | 73 73 dd 1H J 19 81 | 73 72 dd 1H J 8 81 | 69 69 d 1H J 83 | 25 25 d 3H J 7 | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CC1(N(C)C(=O)OC(C)(C)C)CC1
ir: 1 4 4 5 4 2 1 1 2 2 6 2 4 4 4 2 0 1 1 2 1 1 1 1 4 4 2 1 1 0 0 1 0 0 1 1 1 0 1 2 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 2 2 4 5 1 1 1 0 0 1 1 0 0 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 2 1 0 0 1 0 0 1 1 2 1 1 1 1 2 7 6 3 7 3 1 1 1 1 1 1 3 4 12 7 5 3 11 2 1 1 1 1 1 2 2 1 12 2 3 0 0 3 96 100 4 0 0 2 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 6 3 1 1 2 3 1 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 36 36 s 3H | 29 29 s 3H | 27 27 s 2H | 15 15 m 2H | 15 14 s 10H | 13 12 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN[C@@H]1CC[C@@H](CCCCCOS(C)(=O)=O)CC1
ir: 29 6 3 14 6 10 10 12 4 2 3 1 1 2 5 2 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 5 10 3 4 5 5 4 9 7 8 16 28 39 32 19 10 9 7 10 5 4 0 7 17 15 2 4 14 4 3 4 3 11 6 5 17 20 20 49 69 7 10 7 10 6 4 7 7 1 1 4 7 26 71 100 36 7 2 1 1 3 3 2 2 4 3 9 22 31 8 11 12 11 9 7 8 5 7 4 7 7 4 21 38 34 19 8 35 20 6 1 4 5 4 2 10 39 18 5 7 11 7 4 3 2 2 2 2 3 2 1 3 2 2 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 1 1 1 1 1 1 1 1 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 2 3 2 2 2 4 8 3 3 5 3 2 4 3 15 14 26 13 9 8 7 3 2 2 2 2 1 2 2 2 2 2 1 0 3 5 4 11 39 100 20 10 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; 1HNMR: 41 40 t 2H J 68 | 32 32 dq 1H J 48 70 | 30 30 s 2H | 26 25 dd 3H J 15 48 | 25 24 m 1H | 17 16 m 4H | 15 11 m 14H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C/C=C/C(=O)N1CC[C@@H](Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1
ir: 5 5 7 5 4 5 5 6 6 6 7 11 10 15 7 7 13 8 6 5 5 5 5 5 5 5 5 5 5 4 5 4 6 7 9 5 7 6 7 4 33 9 16 14 8 7 5 6 5 5 5 5 5 7 7 16 11 5 5 5 4 5 4 5 6 4 6 5 6 5 5 4 5 6 5 4 5 4 5 6 5 5 8 6 5 5 5 6 4 5 5 4 5 5 4 4 5 5 5 12 4 5 6 5 4 5 4 19 4 5 5 6 4 6 7 4 9 6 4 5 5 5 4 4 5 5 5 4 5 5 5 5 4 7 7 10 9 14 12 7 5 4 5 6 5 10 5 20 22 16 19 9 31 23 6 0 20 7 4 8 5 4 7 5 6 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 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 5 5 5 5 5 7 7 9 29 8 6 5 5 4 4 4 4 4 4 4 4 5 4 4 5 5 15 8 6 5 6 8 12 16 10 7 5 4 5 100 4 6 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 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: 81 81 s 1H | 74 73 m 4H | 72 71 m 3H | 70 70 m 2H | 66 65 dt 1H J 46 152 | 64 63 dt 1H J 13 154 | 61 61 d 1H J 79 | 60 60 s 2H | 45 44 dddd 1H J 19 27 38 106 | 39 38 m 1H | 37 37 ddd 1H J 49 67 128 | 36 35 m 2H | 32 32 dd 2H J 15 46 | 23 22 m 1H | 22 22 s 7H | 19 19 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2c3ccc4cccnc4c3NS(=O)(=O)N2C)c(OC)c1
ir: 0 2 0 1 0 0 1 3 1 2 1 1 0 4 1 1 2 1 2 3 2 2 1 0 1 1 0 0 0 1 1 1 1 2 2 4 4 7 3 2 7 1 1 3 8 8 2 2 1 1 7 7 1 1 2 2 3 7 1 1 1 1 4 6 6 6 4 4 6 7 2 1 2 1 2 1 1 1 1 0 0 1 2 2 2 19 4 2 15 5 7 5 2 0 1 7 1 0 1 2 2 1 3 9 3 3 12 11 14 6 1 1 1 1 0 0 1 1 8 7 1 1 1 5 10 14 3 2 1 1 2 0 0 0 1 0 1 4 12 2 2 1 1 1 2 3 1 1 1 4 4 2 2 3 2 2 1 0 1 3 0 1 7 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 2 1 2 6 21 21 5 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 7 100 17 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 86 86 dd 1H J 16 40 | 81 81 dd 1H J 17 83 | 75 75 m 2H | 74 74 d 1H J 93 | 71 71 dd 1H J 8 84 | 66 65 dd 1H J 22 84 | 65 65 d 1H J 22 | 55 54 tp 1H J 7 14 | 38 38 s 3H | 38 37 s 3H | 30 30 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C2=C(c3ccccc3)OCCC2)cc1
ir: 0 0 0 0 0 0 0 0 0 1 2 2 0 1 1 1 1 3 1 1 0 0 0 0 0 0 1 1 3 8 9 53 44 6 4 6 46 8 3 7 34 44 35 2 1 2 1 0 1 0 1 1 0 1 0 0 0 0 1 6 7 1 2 4 2 1 1 5 12 23 8 4 1 1 2 3 2 3 10 7 0 0 0 1 0 0 0 1 1 0 0 1 0 1 1 1 0 1 1 1 1 1 0 1 1 7 0 1 2 1 4 3 3 2 4 4 4 4 4 5 1 7 7 3 1 1 1 1 1 1 1 1 2 16 13 30 10 1 1 2 5 32 35 9 13 3 5 3 6 9 9 11 7 1 1 0 0 0 0 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 3 3 1 1 1 3 5 5 13 19 37 100 52 9 10 7 3 3 1 2 3 4 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 75 73 m 5H | 74 73 m 3H | 42 41 m 2H | 30 29 m 2H | 20 19 dddd 2H J 48 56 67 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=Cc1ccc(C(C)=O)o1
ir: 2 2 2 3 7 5 2 2 3 2 3 12 3 1 2 2 4 2 1 2 3 2 1 1 1 1 12 2 2 1 1 2 2 7 10 2 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 8 27 34 22 7 2 2 2 2 4 5 4 5 12 4 4 4 2 1 2 1 2 3 6 1 3 14 32 8 3 2 5 2 1 2 2 2 1 1 2 2 2 2 7 9 3 2 3 1 1 4 7 4 1 2 6 2 1 1 3 2 2 2 3 2 4 13 39 11 2 2 2 3 1 3 8 6 38 12 7 4 6 5 2 2 2 3 11 11 3 34 86 1 1 9 100 15 3 0 1 3 3 1 1 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 2 2 1 1 2 1 2 2 3 4 9 12 10 11 5 33 40 8 23 13 4 3 4 2 1 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 dd 1H J 7 163 | 72 72 d 1H J 55 | 70 69 dd 1H J 7 55 | 65 64 d 1H J 163 | 38 37 s 3H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.