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CN(C)c1cc(C2=CCC(N(C)Cc3ccccc3)CC2)ccn1
ir: 8 4 7 9 14 3 4 6 12 4 4 5 2 2 2 1 2 4 7 5 5 8 4 4 1 4 6 5 3 3 13 8 2 24 45 6 3 4 5 9 15 5 2 3 2 7 9 6 1 2 2 2 11 3 3 1 5 2 6 1 2 5 10 16 27 56 33 21 6 21 9 12 7 36 15 9 5 4 9 6 4 5 2 3 4 1 4 6 34 18 39 37 23 6 2 5 3 4 7 5 12 11 4 2 2 3 3 4 1 3 6 3 5 6 15 8 5 9 4 6 4 4 1 13 6 9 9 6 6 8 2 9 21 8 10 27 18 12 6 11 36 11 10 9 6 4 8 14 48 5 4 8 6 21 20 6 1 1 1 1 1 5 7 38 14 2 4 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 2 3 4 4 4 2 2 1 3 4 4 3 34 28 27 100 66 39 6 6 6 1 2 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 49 | 73 72 m 5H | 69 68 dd 1H J 21 50 | 67 67 d 1H J 22 | 62 62 tdt 1H J 9 18 53 | 38 37 dt 1H J 8 123 | 36 35 dt 1H J 7 122 | 31 30 s 5H | 29 28 dtdq 1H J 16 48 64 81 | 28 27 m 1H | 27 26 m 1H | 24 23 dddt 1H J 10 53 65 141 | 23 23 d 3H J 14 | 22 21 m 1H | 20 19 dddd 1H J 55 66 82 119 | 18 17 dddd 1H J 55 65 82 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccccc1N1CCN(CCCN)CC1
ir: 5 5 5 4 10 2 2 2 3 2 2 4 5 7 2 2 1 1 3 1 1 1 1 1 1 1 1 1 1 5 8 3 1 1 1 2 1 2 1 2 4 5 45 30 2 6 3 14 3 7 4 3 5 3 15 12 4 7 3 14 8 5 3 2 4 6 2 4 3 3 4 16 46 73 11 12 4 4 9 14 37 5 9 8 7 33 2 3 2 3 1 1 1 1 1 2 6 12 2 3 3 5 3 9 2 2 0 1 2 2 1 4 2 2 7 5 3 3 6 5 8 4 8 7 4 3 4 5 8 8 7 20 26 31 21 17 19 14 12 5 4 5 6 4 12 12 14 10 7 7 4 2 2 1 1 5 1 1 1 2 5 2 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 2 4 3 1 1 1 2 1 1 1 3 5 3 12 20 9 6 2 1 1 1 2 2 2 2 5 9 5 51 44 16 6 3 5 9 3 100 72 11 8 5 1 2 3 2 1 2 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 77 77 dd 1H J 16 82 | 74 74 td 1H J 16 77 | 73 72 td 1H J 14 81 | 70 69 dd 1H J 14 75 | 39 38 s 2H | 33 32 m 4H | 28 27 m 6H | 26 25 t 2H J 58 | 17 16 p 2H J 57 | 13 13 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
ir: 1 3 6 2 2 2 2 2 3 2 2 3 3 4 3 2 3 2 1 2 3 3 2 2 2 3 3 4 3 4 5 4 4 3 2 3 8 3 3 8 6 6 4 3 3 2 2 2 4 3 9 9 12 8 4 3 6 4 3 2 2 1 2 2 2 6 2 2 5 3 3 1 2 1 1 1 2 1 2 4 6 2 2 2 5 10 8 5 2 3 2 2 2 2 1 1 2 3 1 3 5 2 2 5 4 6 6 4 1 1 2 2 2 2 2 3 2 3 3 4 9 12 5 4 4 7 2 4 2 4 2 2 5 3 2 1 1 4 6 1 1 5 19 8 9 13 7 3 2 2 3 3 4 2 7 2 1 5 6 100 8 0 1 3 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 2 1 1 1 2 2 3 7 5 10 6 12 9 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 3 4 11 14 4 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 s 1H | 84 84 t 1H J 57 | 81 81 m 2H | 79 79 m 2H | 78 78 d 1H J 89 | 73 72 m 2H | 46 45 m 5H | 33 32 s 2H | 27 26 ddd 1H J 53 81 154 | 25 25 ddd 1H J 53 81 152 | 23 22 ddt 1H J 56 81 136 | 17 16 ddt 1H J 56 81 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1Cc1ccncc1
ir: 2 5 8 4 1 12 17 13 33 55 13 27 13 41 24 40 78 88 80 28 19 14 15 8 15 16 18 36 10 16 12 92 54 30 9 2 8 9 36 9 4 9 13 5 14 31 12 25 65 15 9 0 11 12 17 57 11 11 9 4 10 8 35 24 31 4 3 2 6 5 21 25 67 78 19 64 16 15 4 3 6 5 33 15 11 11 2 4 62 49 43 78 15 20 15 7 7 10 9 18 9 16 12 3 17 12 4 3 5 6 6 46 100 9 9 9 8 8 9 18 30 21 10 22 12 22 12 7 16 12 9 7 7 13 9 8 17 26 7 13 16 25 58 28 10 17 6 26 18 7 4 5 7 37 10 6 11 52 88 31 35 11 5 6 3 1 5 3 2 1 2 4 2 0 3 4 2 0 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 2 1 5 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 0 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 2 2 4 3 3 2 4 4 3 3 5 6 20 8 9 10 4 6 14 22 40 28 34 69 86 73 70 60 11 20 8 6 3 3 5 4 1 4 4 2 1 3 4 2 1 3 3 2 1 3 3 1 2 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 96 96 s 1H | 85 84 m 2H | 84 84 s 2H | 82 82 d 1H J 91 | 71 70 dt 2H J 9 45 | 70 69 d 1H J 92 | 49 49 s 2H | 46 45 t 2H J 9 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(C(=O)c2ccc(C#N)cc2)[nH]1
ir: 7 5 1 5 9 6 11 5 7 4 2 4 5 5 2 5 6 4 3 5 5 3 3 4 6 20 27 11 6 6 8 4 13 26 1 23 94 19 9 4 100 62 7 15 6 1 5 14 8 29 14 9 5 0 6 10 8 11 16 12 20 14 5 7 8 1 5 8 4 20 7 7 3 1 5 6 2 1 5 6 2 1 6 9 2 1 7 8 16 3 7 6 1 3 9 21 11 61 13 7 4 5 7 4 1 3 6 4 2 3 9 5 7 5 14 26 39 12 8 6 13 9 8 5 17 24 24 32 23 22 12 4 2 5 6 2 1 5 6 3 65 23 6 5 54 64 10 3 10 8 42 11 6 6 8 34 15 9 7 2 4 10 4 1 3 6 3 0 3 6 3 0 3 6 3 0 3 6 3 0 4 7 20 3 4 5 3 2 4 5 2 1 4 5 2 2 4 4 2 2 4 5 2 2 5 4 1 2 5 4 1 2 5 4 1 2 5 4 1 3 6 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 3 3 6 4 2 4 6 4 3 5 6 5 3 7 11 15 16 31 95 19 28 57 15 9 2 5 6 4 5 6 6 3 2 4 5 4 3 5 6 4 3 9 14 6 33 66 12 16 4 9 5 3 3 5 4 2 3 5 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 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 97 96 s 1H | 79 79 d 4H J 8 | 68 68 d 1H J 69 | 67 66 dt 1H J 9 71 | 28 27 qd 2H J 9 63 | 13 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2C(=O)NC2CCOCC2)c(F)c1
ir: 11 8 9 11 4 3 4 6 5 4 5 3 4 2 2 2 5 5 3 3 2 2 2 3 2 2 2 8 6 5 4 5 4 8 8 6 3 4 3 7 7 3 4 7 7 9 8 12 7 2 3 3 2 12 12 6 3 3 4 2 2 3 2 3 8 8 4 15 6 6 4 4 4 2 4 7 4 4 3 5 7 3 2 2 1 2 1 2 6 2 3 3 4 6 3 4 2 2 3 2 1 2 3 2 2 3 4 8 13 5 9 8 9 4 2 2 4 4 3 3 2 3 3 3 7 2 2 2 2 2 3 4 2 2 2 2 2 5 2 2 2 2 3 4 2 4 8 27 23 8 6 3 3 22 18 29 43 14 2 2 2 1 20 32 3 2 2 2 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 2 1 2 2 2 2 1 1 2 2 2 2 2 2 2 3 3 3 2 2 4 2 3 4 5 16 4 8 17 17 8 3 3 1 2 2 2 1 1 2 2 2 1 2 2 3 64 42 4 4 3 2 9 11 14 6 8 0 100 29 10 4 3 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 83 s 1H | 80 80 d 1H J 18 | 77 77 d 1H J 18 | 69 68 dd 1H J 47 82 | 68 67 dd 1H J 21 122 | 67 66 m 2H | 60 59 t 1H J 24 | 44 44 s 1H | 39 38 m 2H | 38 37 ddd 1H J 32 49 104 | 37 37 ddd 2H J 30 57 117 | 35 35 ddd 2H J 31 59 117 | 24 24 dddd 1H J 25 55 81 144 | 21 19 m 4H | 18 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(c1)N=C(Cl)c1ccccc1S2
ir: 4 3 6 16 18 9 2 7 5 4 1 3 3 2 5 4 7 9 3 2 6 38 12 2 2 2 4 8 2 1 1 1 0 5 1 2 6 1 2 2 3 4 100 39 2 1 1 1 1 2 1 1 1 2 10 17 3 1 1 1 1 2 2 2 16 6 16 13 28 14 1 0 3 7 4 6 1 1 1 1 2 4 6 1 1 12 5 1 1 1 2 3 2 1 1 1 1 2 16 3 29 5 0 1 3 1 26 9 0 1 5 3 1 1 4 22 12 2 7 6 6 5 2 2 4 19 20 3 2 2 2 3 3 26 36 6 16 9 7 2 2 11 9 11 9 79 80 6 16 5 7 6 1 1 2 1 3 4 2 3 2 1 1 10 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 4 4 3 2 7 8 11 21 98 46 13 10 2 4 3 1 2 3 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 dd 1H J 22 70 | 79 79 d 1H J 22 | 77 77 dd 1H J 16 67 | 75 75 td 1H J 16 71 | 75 74 d 1H J 70 | 74 74 dd 1H J 18 69 | 74 73 td 1H J 18 70 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOP(=O)(CC(=O)Nc1cc2c(Nc3ccc(Cl)c(Br)c3)ncnc2cn1)OCC
ir: 12 3 5 5 1 4 4 4 2 3 5 3 7 11 16 4 3 3 10 2 1 2 3 1 4 2 1 2 4 11 15 12 5 7 4 6 12 17 6 7 6 15 10 1 3 3 4 6 17 23 3 3 3 23 32 6 11 6 5 6 4 3 2 1 2 5 19 11 8 3 1 3 5 5 8 2 10 12 3 6 60 14 2 2 2 1 1 1 2 2 4 9 4 8 3 2 2 4 5 3 2 1 2 2 2 14 12 13 7 3 5 2 6 7 2 3 3 2 3 2 3 1 2 3 5 2 2 2 3 2 1 1 2 1 0 2 2 2 0 2 5 5 2 3 2 3 44 19 17 50 14 100 6 7 7 2 13 5 2 1 1 1 2 14 2 2 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 2 1 1 1 2 1 2 2 2 1 1 1 2 1 4 9 6 5 27 7 5 2 1 2 1 1 0 1 2 1 1 1 1 1 1 2 2 1 2 7 10 21 63 30 24 7 3 2 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 92 91 s 1H | 89 89 s 1H | 87 86 s 1H | 85 85 s 1H | 81 80 d 1H J 16 | 74 73 m 2H | 40 39 dq 5H J 73 86 | 32 31 d 2H J 119 | 14 13 td 7H J 7 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(-c2nsc(C(F)(F)F)c2COc2ccc3c(c2)CCC3CC(=O)O)cc1
ir: 1 2 2 2 1 1 1 4 2 3 6 4 3 2 4 4 4 5 3 4 9 12 14 18 8 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 8 7 3 2 3 4 1 1 1 1 1 1 2 2 2 8 3 2 1 1 1 2 2 4 5 24 3 2 1 1 1 2 5 2 1 1 1 3 1 2 1 4 2 2 16 2 3 6 2 1 1 1 2 2 1 1 1 1 1 1 26 2 2 2 3 3 5 5 3 4 2 3 2 2 3 4 13 7 2 1 2 1 1 1 1 1 1 3 11 5 4 4 2 1 1 2 9 4 2 3 1 1 1 0 0 0 1 4 1 2 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 1 2 2 1 1 4 5 11 36 5 6 2 1 2 3 2 2 54 100 9 4 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 73 73 dt 2H J 9 86 | 71 71 dd 1H J 7 87 | 70 69 dt 1H J 9 20 | 68 68 dd 1H J 21 87 | 56 56 s 2H | 32 31 m 1H | 30 29 dddd 1H J 8 56 73 139 | 29 27 m 2H | 27 26 qt 2H J 9 72 | 26 26 dd 1H J 72 164 | 22 21 ddt 1H J 54 73 130 | 20 19 ddt 1H J 55 73 130 | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1Cn2c(cc(OCc3ccc(Oc4ccc(C#N)c(C(F)(F)F)c4)c(F)c3)nc2=O)N1C
ir: 2 2 2 2 1 2 2 2 1 2 3 1 1 2 3 3 2 4 2 2 1 2 3 3 2 9 3 3 1 2 2 1 1 2 2 1 2 3 3 1 1 5 24 10 4 2 2 4 2 2 2 2 2 6 3 4 10 3 2 1 2 5 2 2 1 2 3 5 8 4 3 4 13 6 6 1 2 2 1 2 2 3 1 1 3 4 3 6 3 3 3 2 2 2 1 1 2 2 3 37 3 1 2 1 6 7 2 2 2 2 3 5 2 2 1 4 4 3 1 2 4 2 5 3 3 3 4 2 2 6 3 2 2 2 2 1 6 1 2 2 3 8 4 2 2 1 1 2 2 3 4 2 5 5 100 5 3 0 2 5 15 6 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 6 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 2 2 2 6 4 7 28 9 9 4 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 82 81 d 1H J 80 | 75 75 dq 1H J 9 20 | 72 71 ddt 1H J 8 17 121 | 71 70 m 2H | 69 68 dd 1H J 47 82 | 54 53 t 2H J 9 | 53 52 s 1H | 42 41 dd 1H J 34 94 | 40 39 dd 1H J 34 94 | 36 36 ddddq 1H J 17 34 50 66 82 | 29 29 d 3H J 16 | 13 13 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)C=O)cc1
ir: 0 2 4 2 0 3 5 6 0 4 6 3 3 6 6 5 4 4 6 11 19 32 13 8 17 10 9 5 5 7 9 6 4 11 11 17 17 12 8 7 3 4 4 3 6 8 4 1 2 5 5 3 13 49 13 11 6 20 52 14 3 7 5 7 6 4 3 2 4 6 5 2 4 6 2 2 5 4 3 2 2 3 1 1 2 2 1 2 5 6 3 2 3 3 1 3 3 3 1 2 4 3 23 34 4 4 4 3 4 3 5 21 21 4 1 2 3 3 1 4 6 4 5 5 7 11 15 6 3 2 2 4 4 16 40 32 6 3 1 3 3 1 1 3 3 2 1 6 24 37 14 11 12 2 3 5 3 1 2 3 2 0 5 6 2 1 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 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 3 1 2 3 2 1 2 4 2 0 2 4 4 3 4 11 65 100 48 11 6 4 3 3 3 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 95 95 s 1H | 79 79 m 2H | 71 70 m 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc(C(C)C)nc1Cl
ir: 2 1 0 1 2 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 1 2 9 2 4 0 5 100 14 2 2 0 1 1 1 0 0 1 1 0 0 0 0 0 2 1 1 0 0 0 1 1 0 0 0 0 0 0 0 1 1 1 3 2 0 6 3 8 1 1 0 0 0 0 0 0 0 2 3 1 0 0 1 1 0 0 0 0 0 0 1 5 2 1 5 2 1 1 2 1 4 2 1 2 0 2 2 1 1 1 2 2 2 36 1 1 4 1 2 3 2 2 1 1 1 1 0 1 2 4 1 29 15 4 44 16 2 2 1 1 0 1 1 2 0 1 2 33 11 3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 1 0 1 1 2 1 2 3 1 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 95 s 1H | 43 43 q 2H J 64 | 34 33 hept 1H J 66 | 14 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCc1ccc(F)cc1
ir: 0 2 4 3 2 3 3 3 1 8 11 7 2 3 3 3 4 3 3 1 1 2 3 1 1 2 3 1 2 3 3 1 1 8 11 3 2 2 2 2 2 3 3 3 4 3 3 2 2 4 3 2 3 8 20 31 24 8 3 2 4 3 3 2 3 3 2 2 14 23 2 1 2 3 3 4 3 3 3 2 2 5 5 8 16 36 56 45 34 22 13 3 15 9 7 3 15 10 3 2 7 5 1 2 3 2 1 2 3 2 0 2 5 8 3 5 3 2 1 2 3 2 2 3 8 8 3 6 5 2 4 5 3 1 1 2 2 1 1 2 3 3 5 3 3 2 6 27 35 6 2 14 17 3 2 2 3 3 2 2 2 1 2 3 2 1 2 3 2 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 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 3 1 3 4 4 3 2 6 4 4 5 4 8 5 5 8 5 5 8 20 29 45 27 10 9 9 14 42 100 39 27 29 8 8 5 4 3 3 3 4 3 4 3 4 4 4 6 4 2 2 4 3 2 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 72 71 ddt 2H J 9 35 80 | 71 70 m 2H | 38 37 q 2H J 58 | 27 27 tt 2H J 9 82 | 27 26 t 1H J 57 | 19 18 tt 2H J 60 83
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(N)=O)ccc1CN1CCCC1
ir: 1 1 1 1 3 3 3 2 2 3 2 3 1 3 15 3 2 2 2 6 3 2 2 2 1 1 1 1 1 1 1 3 3 3 7 3 6 5 44 28 4 2 1 3 1 1 1 2 1 1 1 1 1 1 3 2 2 1 1 1 1 1 1 1 3 1 2 5 3 3 2 1 2 2 1 2 2 3 6 2 2 3 3 5 1 1 2 4 2 2 2 2 3 4 2 1 1 1 2 3 2 1 1 2 3 2 5 4 1 1 1 2 1 1 1 1 3 4 2 1 1 2 2 1 1 2 2 1 5 6 5 2 1 1 1 1 1 1 1 1 1 2 14 8 2 2 3 1 1 1 1 2 2 3 3 10 8 3 69 28 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 7 9 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 6 1 1 1 1 1 1 1 1 2 2 0 31 100 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 dd 1H J 20 90 | 74 73 d 1H J 20 | 73 73 s 2H | 73 72 dt 1H J 9 90 | 38 38 s 3H | 37 37 d 2H J 10 | 29 28 td 4H J 18 36 | 19 18 p 4H J 19
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCC(CCOC)c1cc[nH]c1
ir: 2 5 5 5 16 4 4 4 4 2 2 4 6 6 10 34 29 25 22 14 11 10 4 3 2 3 3 2 3 7 15 8 5 4 3 10 10 11 33 100 40 29 16 5 3 6 3 0 1 3 2 0 3 4 4 4 33 10 5 4 5 6 6 9 6 11 11 29 13 12 9 5 15 13 2 1 5 4 9 11 4 3 2 2 3 4 6 14 23 7 6 9 10 8 4 4 3 7 7 7 3 4 1 1 3 2 2 5 8 10 5 5 11 3 2 5 6 4 7 4 8 6 11 9 8 4 2 3 2 2 1 3 5 6 13 11 6 4 3 7 14 13 25 12 17 50 35 7 12 15 8 4 5 5 10 12 47 3 2 5 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 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 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 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 2 6 8 4 4 7 4 1 3 4 5 4 14 9 9 15 18 66 37 29 26 10 4 4 3 3 2 1 2 2 1 1 2 2 1 1 2 3 7 10 19 46 32 13 5 3 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 68 67 m 2H | 67 66 t 1H J 67 | 62 61 m 1H | 35 34 dt 2H J 60 112 | 34 33 dt 2H J 60 110 | 33 33 s 5H | 31 30 m 1H | 22 21 ddt 2H J 61 70 141 | 20 19 ddt 2H J 61 70 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC(COCC1CCNCC1)c1ccccc1F)c1ccc2cc[nH]c2c1
ir: 2 2 8 2 9 3 2 5 3 2 1 2 2 2 2 3 2 2 1 3 10 44 22 5 3 7 4 2 2 3 3 9 3 3 1 4 9 3 9 16 15 97 72 2 5 5 6 2 5 10 19 12 17 8 6 5 11 6 5 0 2 4 2 2 2 5 8 11 7 5 2 2 2 4 6 1 2 2 1 4 8 8 1 3 1 2 1 1 2 2 2 5 6 4 1 1 3 2 1 2 3 2 47 3 5 3 3 3 5 8 5 35 17 12 13 3 4 2 6 5 7 3 3 4 5 2 5 6 10 12 5 3 3 2 3 2 8 17 2 3 5 15 15 16 10 9 23 24 42 15 8 4 2 2 2 3 3 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 2 2 1 2 2 1 1 2 3 2 5 9 6 6 13 19 16 7 9 5 2 1 1 1 2 4 2 3 6 4 4 3 9 51 100 21 8 16 9 39 29 6 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 88 88 d 1H J 66 | 80 79 m 1H | 79 79 m 2H | 79 78 dd 1H J 22 84 | 75 74 m 2H | 73 72 m 2H | 72 71 ddd 1H J 16 78 98 | 67 66 m 1H | 52 51 m 1H | 50 49 p 1H J 39 | 40 39 dd 1H J 47 118 | 38 37 dd 1H J 47 118 | 34 34 m 2H | 29 29 dddd 2H J 24 38 51 134 | 28 27 dddd 2H J 24 38 51 134 | 18 17 m 3H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC(C)C)-n1c(Br)nc(C(=O)O)c1CO2
ir: 12 13 13 12 11 13 12 11 14 13 12 11 12 13 12 13 12 12 11 16 15 36 31 14 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 11 11 11 12 12 11 11 11 11 11 11 11 10 11 11 11 10 11 11 11 12 11 12 11 11 12 27 16 20 21 15 13 25 13 12 16 17 17 26 31 11 11 18 17 11 11 11 11 11 11 12 11 11 11 11 11 11 12 12 11 13 12 13 16 16 13 11 11 11 14 11 11 11 11 11 10 11 11 11 11 12 12 12 12 11 11 11 11 13 12 13 12 11 11 11 11 11 11 11 11 11 12 14 11 11 11 11 15 19 32 13 11 12 17 17 12 11 11 11 11 11 10 10 11 11 10 10 10 11 11 10 10 11 10 10 11 11 11 11 11 11 11 10 10 11 10 10 10 11 10 10 10 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 11 11 11 10 11 11 10 10 11 11 10 10 10 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 11 11 11 10 11 12 11 10 11 12 12 12 19 14 11 24 18 15 11 8 11 15 10 0 100 48 12 15 10 9 11 12 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 11 11 10 10 10 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10; 1HNMR: 72 72 s 1H | 67 66 s 1H | 54 53 s 2H | 47 46 dq 1H J 57 113 | 39 38 s 3H | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Brc1ccc2c(c1)/C(=C/CCN1CCCC1)c1cc(Br)ccc1OC2
ir: 4 2 2 2 3 2 2 2 6 3 6 2 1 1 2 2 4 6 1 1 5 2 11 0 1 1 1 1 4 4 3 1 1 2 7 2 1 4 4 1 1 2 2 3 10 2 2 3 2 3 3 0 12 42 48 20 6 3 3 4 5 3 6 27 15 13 21 18 37 7 7 4 2 2 1 1 4 20 64 13 9 3 22 13 3 2 9 16 12 3 6 7 19 30 10 12 8 15 3 2 2 3 1 2 3 6 18 18 6 3 3 5 7 5 12 5 9 5 5 10 17 3 5 6 7 5 9 3 5 6 6 27 5 1 0 2 2 0 0 2 3 26 7 100 3 1 1 3 40 26 5 6 12 7 3 0 1 2 7 2 7 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 2 1 1 2 2 4 6 6 6 4 2 4 5 2 10 34 27 71 91 92 5 6 13 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1; 1HNMR: 76 76 dd 2H J 25 126 | 75 75 dd 1H J 25 91 | 74 73 dd 1H J 24 84 | 73 72 dt 1H J 9 84 | 70 69 d 1H J 90 | 63 63 tt 1H J 10 51 | 52 52 d 2H J 7 | 28 27 dd 2H J 18 63 | 28 27 s 2H | 27 26 m 4H | 19 18 p 4H J 21
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1-c1nc(-c2cccc(C(=O)NCCN(C)C)c2)cnc1N
ir: 4 7 4 4 2 3 5 4 7 3 1 2 2 4 2 3 6 9 4 11 15 3 6 5 6 5 8 9 4 6 7 6 1 2 3 6 8 15 30 3 6 12 8 5 9 1 2 4 5 3 3 1 1 2 2 2 1 4 1 1 2 1 3 2 2 1 4 2 9 1 1 1 1 1 3 3 3 1 3 1 2 1 1 2 2 2 1 1 1 2 2 4 3 1 2 3 6 8 4 2 1 1 2 1 1 1 0 1 0 0 0 4 2 2 2 1 3 4 4 7 4 5 4 2 2 3 3 3 1 1 3 2 12 2 2 1 4 8 1 5 18 10 4 5 47 25 7 13 23 18 5 6 36 7 3 5 4 2 6 2 2 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 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 0 1 1 1 2 3 2 6 27 16 3 2 1 1 1 1 0 0 0 0 0 0 0 0 1 1 4 16 2 2 1 2 11 7 3 2 1 2 6 100 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H | 86 85 t 1H J 21 | 80 79 tdd 2H J 13 22 82 | 77 76 m 3H | 75 74 td 1H J 13 76 | 72 72 ddd 1H J 13 75 87 | 69 69 dd 1H J 12 77 | 67 67 s 2H | 39 39 s 3H | 35 35 td 2H J 46 59 | 26 25 t 2H J 59 | 23 22 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
ir: 2 4 12 8 2 2 2 2 1 1 1 1 0 1 1 0 0 1 1 5 2 1 3 4 1 1 1 1 3 2 2 4 3 4 2 3 4 5 3 2 1 1 2 2 2 3 5 5 11 2 2 1 1 1 0 0 0 1 0 1 0 0 1 2 4 0 6 19 7 4 1 0 1 1 1 2 1 1 1 1 1 1 0 0 1 1 1 6 13 4 2 1 0 2 1 2 5 8 4 11 1 5 8 5 2 1 1 0 1 0 0 0 1 1 1 1 2 4 2 6 5 5 2 4 3 12 5 3 5 2 3 3 4 2 2 1 1 2 2 4 27 4 6 8 16 6 3 2 1 1 1 1 3 4 1 3 2 2 25 2 1 2 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 1 1 0 0 1 1 1 2 1 1 0 1 1 1 4 6 4 18 100 15 1 3 2 1 3 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 tq 1H J 9 17 | 74 73 ddq 1H J 10 21 77 | 72 72 t 1H J 78 | 72 71 dtd 1H J 8 20 79 | 71 70 td 1H J 44 121 | 41 41 t 2H J 9 | 37 36 s 3H | 36 36 t 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CC(=O)Nc1cc2ccccc2cc1C(=O)O
ir: 1 1 1 1 1 1 1 2 3 2 4 3 7 4 5 6 2 4 5 5 8 6 8 9 10 3 2 2 1 1 1 2 2 1 1 1 1 2 1 1 3 2 11 2 2 1 1 1 1 2 2 4 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 4 2 2 1 1 1 2 2 1 6 7 7 38 7 5 4 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 1 1 1 1 12 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 3 2 1 1 1 1 1 2 2 4 4 2 2 7 3 1 1 1 1 1 4 1 2 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 7 9 3 1 0 1 2 1 2 6 100 36 5 1 0 1 1 1 0 1 1 1 1 2 10 6 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 m 2H | 79 79 dt 1H J 20 73 | 78 78 dt 1H J 22 76 | 77 76 m 2H | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1CC1)c1ccc(Cl)c(-c2ccc3c(N4CCOCC4)nncc3c2)c1
ir: 0 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 3 9 8 4 7 2 4 17 4 3 1 1 3 6 1 2 3 6 3 2 4 3 8 20 25 9 2 2 5 1 2 3 4 1 1 1 3 16 4 2 5 6 2 1 0 0 1 1 1 1 3 5 2 4 4 6 24 4 1 1 1 1 0 2 1 3 2 2 2 2 9 3 2 5 4 3 2 1 1 5 6 3 2 1 7 1 1 1 1 11 1 1 2 4 2 12 2 2 1 1 3 10 3 1 6 1 2 3 1 0 1 5 2 2 2 2 2 7 16 24 64 10 5 6 14 3 2 3 23 6 6 6 3 5 6 4 1 8 5 2 5 1 1 1 10 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 2 1 2 1 1 1 1 2 4 2 6 17 8 100 11 6 9 3 3 2 1 0 1 1 0 0 1 1 1 0 1 1 0 2 5 4 7 49 9 1 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 d 1H J 18 | 83 83 d 1H J 15 | 82 81 m 2H | 78 78 ddd 2H J 18 28 88 | 76 76 d 1H J 83 | 73 73 d 1H J 71 | 39 38 m 4H | 37 36 m 4H | 31 30 dp 1H J 47 71 | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1Cl)NC(=O)C2=O
ir: 7 3 1 4 5 3 1 4 5 5 5 9 10 39 26 70 45 61 32 13 12 9 8 19 19 20 24 12 7 3 4 9 31 25 17 9 7 1 3 7 15 17 27 7 4 2 4 6 5 2 5 7 4 11 10 22 6 4 6 13 10 5 6 6 3 1 4 6 4 8 10 10 8 3 6 6 4 4 5 6 2 2 4 4 1 2 4 4 2 2 5 4 1 1 6 8 7 27 32 7 1 2 6 3 0 2 5 4 2 13 24 7 2 11 10 3 2 6 7 4 1 4 16 4 1 3 5 2 1 5 26 68 1 5 5 2 1 5 8 3 2 5 5 0 13 7 4 1 2 5 4 2 19 15 12 2 100 56 6 8 64 7 4 3 3 5 3 1 2 5 3 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 2 5 3 0 2 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 5 2 2 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 4 3 1 3 5 3 1 3 5 4 9 13 18 13 9 6 5 3 0 4 5 3 1 3 5 2 1 4 5 1 4 7 7 2 9 28 76 55 28 11 6 4 3 3 3 2 3 4 4 3 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 98 98 s 1H | 83 82 d 1H J 84 | 72 72 d 1H J 82 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(N)[nH]c2ccccc12
ir: 3 1 3 2 7 11 12 3 4 2 3 2 2 5 3 2 3 2 2 3 5 1 2 2 2 1 1 4 4 3 6 7 13 5 9 5 5 5 3 3 2 2 14 21 4 5 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 2 2 1 2 1 2 1 2 2 2 2 2 2 4 4 8 7 2 4 4 2 1 1 1 1 1 1 1 1 6 8 2 1 1 1 1 1 2 3 2 1 2 4 13 9 0 1 2 2 4 4 2 1 1 1 2 2 5 7 3 2 3 3 2 1 1 2 2 2 4 1 1 1 1 1 2 3 2 2 3 3 5 1 6 10 5 6 2 3 5 13 21 17 12 11 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 4 4 7 7 6 3 2 2 2 2 2 3 3 4 3 2 2 2 3 11 38 48 4 2 2 4 11 14 7 7 6 2 100 69 4 4 4 2 3 3 2 1 2 2 1 1 1 1 2 2 2 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 dd 1H J 15 81 | 75 75 ddd 1H J 22 71 79 | 74 74 dd 1H J 21 74 | 74 73 td 1H J 12 72 | 58 58 s 2H | 44 43 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)NC1=NS(=O)(=O)c2cc(C(=O)O)ccc2N1
ir: 6 2 3 4 5 5 3 6 6 5 7 4 5 5 3 3 5 1 3 7 9 6 7 8 6 4 3 11 8 2 3 4 4 2 2 5 4 7 11 5 3 1 4 8 11 22 20 7 3 1 2 6 5 4 14 20 5 17 17 13 7 1 5 6 3 0 3 5 4 1 3 4 2 2 5 37 6 9 9 21 21 4 4 5 17 15 5 4 3 2 7 8 4 5 4 3 0 1 4 3 7 13 5 4 2 2 4 3 0 2 4 3 2 3 5 3 7 3 6 3 1 3 4 2 1 8 7 3 0 3 4 2 1 3 4 1 1 3 3 2 3 9 10 3 2 4 3 1 2 3 5 11 8 12 7 5 3 18 15 2 2 4 3 2 7 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 3 1 2 3 3 1 2 4 2 1 3 6 5 2 4 10 11 2 3 4 2 2 3 6 100 26 4 5 2 1 3 4 2 1 3 4 2 2 5 11 13 12 13 6 2 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 85 84 d 1H J 22 | 81 81 dd 1H J 22 84 | 80 79 d 1H J 84 | 76 76 s 1H | 58 58 d 1H J 81 | 38 37 ddtdd 1H J 15 43 58 86 101 | 17 16 dqd 1H J 43 74 128 | 15 14 dqd 1H J 42 73 128 | 12 11 d 3H J 59 | 10 10 td 3H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(Cl)ccc1NC1CC1
ir: 0 1 2 1 0 2 2 3 5 36 9 3 3 3 2 1 1 1 2 1 1 2 8 14 7 2 1 2 1 2 1 1 0 1 2 3 2 2 2 2 5 14 22 4 1 1 1 1 1 0 0 1 3 59 29 2 1 1 0 0 1 1 1 1 1 1 1 3 6 2 2 1 1 1 0 0 1 2 1 0 1 1 0 1 1 2 2 5 1 1 0 1 1 1 1 1 1 4 10 12 3 3 1 1 0 0 1 0 0 0 0 0 0 1 0 1 1 6 1 1 1 1 3 1 1 2 1 2 11 30 22 15 10 9 13 6 3 3 1 1 1 2 7 11 5 1 2 2 2 4 3 12 21 7 1 1 1 0 1 1 2 2 2 3 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 6 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 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 1 1 1 0 2 2 2 3 2 2 9 11 8 4 8 3 2 1 1 0 1 1 1 1 2 9 20 8 11 14 4 6 6 6 4 16 100 53 41 2 2 2 1 1 1 1 1 1 0 1 1 1 2 1 1 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 d 1H J 21 | 73 73 dd 1H J 22 70 | 69 68 d 1H J 70 | 50 49 d 1H J 71 | 32 31 dp 1H J 46 71 | 10 9 m 2H | 8 7 dddd 2H J 8 46 79 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1NCCN(C(=O)OCc2ccccc2)C1C
ir: 14 13 14 2 3 4 6 6 5 6 1 9 2 5 7 3 3 2 2 10 7 5 3 9 1 4 3 1 3 4 13 8 7 2 1 1 3 15 10 9 20 20 4 2 6 5 8 5 9 19 26 12 4 3 5 5 6 1 4 1 3 3 2 0 6 10 25 6 8 7 3 2 14 12 6 10 3 3 2 2 1 1 3 5 1 1 1 3 2 6 1 2 4 8 1 1 2 2 6 2 2 1 1 1 5 8 9 11 6 8 2 2 7 14 8 7 25 34 16 12 15 14 16 17 19 11 10 11 3 3 5 2 7 8 9 8 6 17 13 3 2 2 3 28 18 2 3 1 2 2 10 34 3 0 1 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 1 1 0 2 2 2 3 1 2 1 2 3 4 13 9 15 24 11 10 17 2 2 2 2 2 1 1 1 1 1 1 2 1 4 7 21 100 7 3 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 4H J 43 | 73 73 m 1H | 51 51 s 2H | 37 36 dtdt 1H J 15 53 66 81 | 36 35 ddd 1H J 30 56 126 | 35 34 ddd 1H J 30 56 125 | 32 31 ttdd 1H J 16 41 56 70 | 30 30 ddt 1H J 32 57 129 | 29 28 ddt 1H J 32 55 128 | 23 22 dt 1H J 35 69 | 12 12 dd 3H J 16 65 | 11 11 dd 3H J 15 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cn(CS(=O)(=O)NCc3ccc(C(=O)NOC4CCCCO4)cc3)nn2)cc1
ir: 5 4 12 6 2 3 3 5 4 8 5 9 5 5 6 3 2 2 1 3 12 6 4 4 5 2 1 1 3 2 16 7 1 1 2 2 5 13 16 6 37 7 7 3 6 8 6 22 3 11 7 5 21 22 20 14 10 14 4 6 6 0 8 14 3 7 5 5 7 19 22 23 12 18 3 3 4 9 3 2 1 1 3 3 6 6 41 8 3 3 10 22 4 5 9 13 1 2 6 8 2 1 4 5 10 21 100 14 13 16 7 5 3 2 3 2 2 3 2 2 2 2 5 4 4 11 5 5 4 10 10 3 2 4 5 0 0 1 2 2 19 3 2 7 22 63 4 9 8 3 6 6 4 2 5 8 4 1 1 1 1 1 1 4 3 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 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 2 5 6 2 2 2 2 1 2 4 6 9 38 26 9 20 8 14 4 3 1 1 2 1 1 1 1 2 1 1 2 3 3 7 62 62 8 22 16 1 3 1 0 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 82 81 t 1H J 8 | 78 78 m 2H | 76 75 m 2H | 75 74 dt 2H J 9 83 | 73 72 m 2H | 56 55 m 1H | 54 54 d 2H J 10 | 50 49 t 1H J 33 | 42 42 dt 2H J 8 65 | 38 38 ddd 1H J 38 59 111 | 37 36 ddd 1H J 37 60 111 | 24 23 d 3H J 10 | 20 19 dddd 1H J 33 65 88 148 | 18 15 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(C)(C)C(=O)N1CCN(c2cnc3ccc(Cl)nc3c2)CC1
ir: 4 2 2 2 2 1 0 4 0 2 2 2 3 5 3 9 2 4 2 4 2 4 0 1 1 2 3 3 13 37 27 8 13 4 3 7 4 7 2 1 1 1 1 1 0 1 1 1 6 3 1 1 1 1 6 19 14 3 2 1 2 2 4 3 3 6 4 2 2 10 2 2 2 10 1 0 1 0 0 0 0 0 11 15 3 1 2 4 9 13 2 6 1 2 8 11 4 4 6 6 2 3 6 3 4 14 3 2 4 6 6 2 3 1 2 1 0 1 5 7 2 6 6 6 7 7 3 5 7 9 8 10 3 5 4 7 9 1 1 1 2 2 10 100 6 4 47 8 8 29 19 8 1 3 7 16 4 2 1 1 1 1 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 1 1 1 1 2 1 1 1 1 2 4 6 22 9 7 8 21 17 3 2 1 1 1 1 1 2 0 0 0 0 0 0 0 0 0 1 0 4 8 6 16 3 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 82 | 81 80 d 1H J 18 | 79 79 d 1H J 17 | 75 75 d 1H J 81 | 59 59 s 1H | 36 36 m 5H | 33 33 m 4H | 16 16 s 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Cc1ccccc1Cl)CC(O)C(C)(C)C
ir: 6 2 3 3 3 4 4 2 3 3 2 2 2 4 1 3 5 2 2 2 2 2 1 1 2 2 1 2 1 1 1 1 1 1 1 2 2 1 7 2 7 7 6 14 5 2 2 2 2 1 1 3 2 1 2 1 1 2 4 4 6 3 13 5 3 4 2 6 1 8 3 3 3 5 4 5 4 3 4 5 4 7 7 5 13 46 49 45 26 28 27 10 5 5 7 4 2 1 3 3 3 2 5 2 1 3 5 2 0 5 11 6 4 4 3 1 0 3 4 4 8 6 15 4 4 2 2 1 2 3 3 4 5 3 3 1 10 12 6 3 5 8 4 2 1 2 2 4 24 4 2 0 1 2 2 0 1 2 4 0 1 2 1 1 1 2 2 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 4 4 8 12 7 17 6 10 15 15 15 13 12 16 24 5 24 100 52 17 17 15 25 53 60 37 53 19 24 16 8 6 10 11 11 4 11 6 25 8 12 5 11 4 4 5 9 4 15 6 2 2 2 2 1 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 73 m 1H | 73 72 m 2H | 72 71 ddt 1H J 9 30 72 | 34 33 tddd 1H J 15 30 67 83 | 30 29 ddd 1H J 8 68 150 | 27 26 ddd 1H J 8 68 150 | 25 24 d 1H J 66 | 19 18 th 1H J 68 84 | 17 16 dt 1H J 83 137 | 15 14 dt 1H J 83 137 | 10 10 d 9H J 14 | 10 9 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)Oc1ccc2nc(Cl)sc2c1
ir: 3 6 34 12 6 7 3 3 2 3 7 3 1 1 2 3 3 3 2 2 1 2 1 2 1 1 1 1 1 2 2 1 2 2 4 2 1 4 4 1 1 1 1 1 3 21 2 1 1 1 1 1 2 1 9 26 7 4 2 1 1 1 1 1 2 3 11 12 6 1 1 1 1 1 1 1 1 1 1 1 4 7 2 1 2 5 4 14 24 5 4 3 3 3 4 7 10 32 17 28 28 27 18 5 8 5 1 2 6 11 4 2 2 3 4 6 3 1 1 1 2 1 5 5 4 2 1 2 7 10 7 1 1 1 1 1 1 1 1 1 1 1 2 52 4 1 1 2 4 3 100 9 13 3 3 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 3 2 0 5 8 32 82 62 11 4 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 d 1H J 21 | 76 76 d 1H J 67 | 73 73 dd 1H J 22 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)c1cccc(COc2cccc(-c3nc(C4CCC4)n4ccnc(N)c34)c2)c1
ir: 6 5 5 5 3 4 3 3 3 15 4 5 3 5 10 8 10 9 1 7 14 12 8 5 3 1 4 2 3 3 8 17 28 13 10 4 6 4 100 13 7 4 3 3 2 2 3 14 3 14 3 4 2 3 3 2 1 3 2 1 2 2 3 5 6 3 2 2 8 6 3 4 3 2 2 4 2 2 2 2 3 6 4 1 3 5 1 2 2 4 2 2 8 4 2 2 5 2 1 2 3 5 3 4 2 2 1 1 2 2 2 3 1 3 17 4 3 2 1 2 2 3 5 9 12 13 8 8 3 3 6 3 5 11 5 3 2 5 6 16 20 6 5 12 42 18 8 45 10 2 4 28 21 59 26 7 16 4 4 33 3 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 1 2 2 3 3 2 3 7 5 4 16 15 56 17 6 8 7 4 2 3 2 2 1 2 2 3 0 4 5 2 34 5 1 6 7 23 6 3 46 4 5 6 15 78 19 10 1 2 2 1 2 2 1 2 4 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 tt 1H J 9 22 | 78 77 m 2H | 75 74 dddq 2H J 12 22 32 79 | 74 73 m 3H | 73 72 s 2H | 71 71 d 1H J 68 | 70 69 ddd 1H J 13 22 79 | 65 64 q 1H J 51 | 52 51 t 2H J 9 | 37 36 m 1H | 30 29 d 3H J 51 | 21 20 m 2H | 19 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CO)c(Br)cc1F
ir: 1 1 1 1 1 1 2 1 1 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 2 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 3 2 1 1 2 3 7 3 1 1 2 2 1 1 1 1 0 1 1 1 1 1 3 6 10 17 4 1 6 3 5 2 1 2 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 1 1 4 2 1 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 5 17 2 1 2 2 1 2 6 100 2 0 1 2 1 1 1 1 0 0 0 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 d 1H J 121 | 69 68 dt 1H J 9 44 | 47 46 dd 2H J 9 57 | 39 39 s 3H | 34 34 t 1H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc([C@@H]2Sc3cccc4cccc(c34)N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1
ir: 1 7 4 2 1 9 4 2 7 6 4 3 5 31 5 3 5 6 8 5 2 2 9 5 2 2 25 1 2 9 5 2 5 16 13 3 1 2 2 1 6 8 6 2 4 8 84 2 3 6 2 2 2 11 8 5 15 10 3 1 2 4 3 3 27 8 9 5 6 19 9 1 2 6 2 1 3 5 4 2 7 13 7 1 2 2 3 12 11 9 15 7 19 3 1 3 7 4 1 3 19 10 4 3 5 6 4 3 14 4 2 3 3 4 5 5 4 5 7 6 3 6 7 5 12 7 6 4 4 6 18 6 4 2 1 2 3 9 7 2 3 2 1 2 35 4 35 37 32 14 100 4 8 1 1 2 3 0 1 2 5 0 2 2 2 4 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 2 1 0 1 2 1 1 1 3 2 1 1 3 2 3 2 3 3 3 10 10 10 6 9 16 22 85 51 5 8 2 2 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 dt 1H J 15 74 | 78 77 dt 1H J 15 75 | 75 75 td 2H J 25 75 | 74 73 m 5H | 69 68 m 2H | 62 61 d 1H J 73 | 51 51 m 1H | 41 39 m 2H | 38 38 s 3H | 31 30 t 2H J 61 | 25 24 s 5H | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1c(C)nc2cc(Br)nn2c1N1CCC(C)(C)CC1
ir: 2 3 2 2 3 1 1 2 3 2 2 2 0 1 2 2 1 1 0 1 1 1 1 1 1 2 1 1 1 6 2 7 2 3 5 1 0 1 0 0 2 0 1 2 2 2 2 1 1 1 1 2 4 2 4 3 10 6 4 3 4 5 11 3 2 7 2 3 2 2 7 7 12 6 4 4 3 0 1 1 1 10 1 1 0 2 3 1 3 2 6 7 2 2 2 1 10 3 2 2 0 1 2 2 1 1 1 1 3 2 1 6 16 18 8 11 6 8 17 18 33 10 13 8 9 9 10 17 10 38 11 15 11 5 5 8 8 2 2 2 1 3 10 1 1 2 5 5 2 2 1 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 3 1 0 0 0 0 1 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 1 0 1 0 1 1 0 2 1 1 1 2 1 9 16 7 6 4 5 10 9 16 10 6 6 10 18 11 100 38 30 6 4 3 4 1 2 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 38 37 s 2H | 37 37 s 3H | 36 36 m 5H | 24 24 s 3H | 17 17 m 5H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(O)C1CCc2cc(Oc3ccccc3)ccc2C1
ir: 9 7 14 17 8 13 7 8 12 13 10 8 4 5 4 7 5 4 6 4 1 2 5 2 3 2 5 4 5 13 11 4 4 9 5 5 10 5 9 13 26 24 29 12 7 4 4 3 4 4 4 2 12 18 8 27 24 6 6 2 5 2 2 2 11 4 18 18 48 12 6 4 4 4 3 3 7 24 8 11 2 2 4 4 8 4 16 29 92 28 13 8 33 49 12 48 76 10 8 3 6 3 4 5 5 5 3 3 2 3 2 9 2 3 5 2 2 3 2 11 4 6 2 2 4 4 3 1 2 2 2 2 4 3 3 19 6 2 4 3 3 6 20 63 14 5 6 2 4 7 18 16 11 14 3 3 2 2 5 14 2 1 9 2 1 0 1 1 0 0 0 1 0 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 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 2 0 0 1 1 1 1 1 2 2 1 3 2 1 2 3 2 4 4 5 3 5 10 13 8 8 29 10 56 66 44 19 6 8 5 8 85 100 16 7 4 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 2 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 74 73 m 2H | 71 71 tt 1H J 14 75 | 70 70 m 2H | 69 69 dt 1H J 9 88 | 68 67 dd 1H J 20 88 | 65 65 dt 1H J 9 20 | 39 39 dd 1H J 54 83 | 38 37 s 2H | 35 35 d 1H J 55 | 30 29 ddd 1H J 8 71 147 | 29 27 m 3H | 25 24 dp 1H J 68 82 | 20 19 ddt 1H J 64 88 130 | 18 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)cc1NS(C)(=O)=O
ir: 6 4 13 23 9 3 4 5 1 3 2 1 1 2 3 3 5 3 4 5 5 7 6 2 2 2 4 1 2 4 6 9 2 2 6 7 4 2 2 4 6 15 18 18 8 6 5 8 28 10 12 10 8 13 22 34 15 36 19 10 5 2 3 10 9 5 5 3 18 59 90 14 6 3 2 3 3 3 2 1 2 2 1 3 2 5 11 82 44 9 5 7 6 8 4 3 2 4 3 12 30 61 36 13 10 7 4 5 6 2 7 16 24 16 19 27 23 13 5 10 11 14 24 6 3 2 2 3 7 4 1 1 1 1 1 1 1 1 1 2 1 2 24 6 4 7 12 38 9 6 13 19 11 7 6 7 6 2 1 2 1 0 1 5 11 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 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 2 1 1 2 5 5 2 1 1 1 0 1 2 1 1 1 4 18 18 8 36 32 52 24 11 5 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 3 3 5 16 15 20 9 100 64 9 4 1 1 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 90 90 s 1H | 78 78 d 1H J 22 | 76 76 dd 1H J 22 86 | 75 75 m 2H | 71 70 m 2H | 68 68 s 1H | 60 60 s 1H | 39 39 s 3H | 39 39 s 3H | 31 30 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c[nH]c(C(N)=O)c1
ir: 1 1 1 1 1 1 1 1 3 4 2 1 2 4 5 20 19 1 2 2 7 3 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 13 100 10 1 3 1 0 1 2 4 3 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 2 1 3 4 3 2 2 2 1 5 2 2 1 1 1 1 1 1 3 2 1 1 2 1 1 3 4 3 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 4 2 1 2 8 5 1 1 2 3 1 1 10 6 2 1 2 1 1 0 1 1 1 1 1 1 1 2 29 25 1 1 2 1 1 5 25 1 2 2 27 43 36 2 4 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 3 10 12 7 2 0 2 2 1 0 1 2 1 0 1 2 21 26 1 1 1 1 3 5 2 3 25 10 2 17 27 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 1H | 68 68 s 2H | 66 66 d 1H J 22 | 21 21 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)c(-c2cc(C)c3nc(N)nnc3c2)c1
ir: 9 3 5 8 4 4 4 5 4 7 6 4 3 3 3 1 5 3 3 3 18 21 14 2 4 4 6 3 8 3 3 3 4 5 4 3 4 1 1 2 4 3 2 2 1 1 2 2 1 1 5 19 11 6 12 2 1 1 1 0 2 1 2 6 10 8 7 12 5 6 6 3 2 4 2 5 9 2 2 3 1 0 0 1 2 4 1 2 7 3 0 1 0 0 1 1 0 1 0 1 2 1 2 1 1 2 2 4 2 9 1 1 1 1 2 2 2 1 1 0 1 1 2 2 1 3 0 1 2 1 2 1 3 4 4 1 1 1 3 6 2 1 6 8 6 5 18 26 45 46 22 100 10 5 4 1 2 2 2 1 3 1 1 1 1 2 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 0 14 35 22 3 5 3 2 2 1 2 2 1 1 1 1 2 2 2 1 32 17 2 3 2 1 1 1 1 1 2 2 14 74 9 4 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 20 | 77 77 m 1H | 74 74 d 1H J 84 | 72 72 d 1H J 28 | 69 68 dd 1H J 27 84 | 57 56 s 2H | 38 38 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C)S(=O)(=O)Nc1cccc(CO)c1F
ir: 7 7 9 24 3 10 5 5 5 4 3 4 9 4 4 4 9 7 6 3 1 1 2 3 1 3 1 3 2 1 2 12 6 6 5 4 7 6 14 8 5 1 2 3 2 9 6 8 16 9 14 25 13 16 5 6 3 6 10 4 2 1 2 4 7 10 6 12 6 12 6 12 5 2 7 5 5 2 3 2 1 3 8 49 24 19 39 61 70 28 34 36 16 13 3 9 7 6 12 24 17 17 1 4 6 4 5 4 12 9 37 7 1 3 3 2 1 6 12 12 3 3 3 3 3 4 15 5 2 2 3 2 2 2 2 2 5 16 4 4 5 5 1 2 1 1 0 1 2 1 1 1 1 0 1 0 3 4 5 2 1 0 1 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 1 1 1 0 1 1 1 2 2 1 1 1 2 1 1 2 1 2 4 7 4 3 18 16 10 2 2 5 3 4 53 45 4 2 5 2 1 1 1 1 1 1 1 1 1 1 2 2 11 46 100 15 4 3 2 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 d 1H J 37 | 74 74 ddd 1H J 17 37 86 | 72 71 m 2H | 47 46 ddd 2H J 7 37 55 | 35 34 t 1H J 55 | 31 30 q 2H J 86 | 28 28 s 2H | 13 12 t 3H J 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1cnc(CO)c1
ir: 2 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 2 2 8 17 23 17 9 6 1 2 2 3 1 1 1 3 3 1 1 3 4 5 8 4 9 4 1 1 1 1 2 5 4 2 3 2 6 2 6 16 14 3 6 21 12 10 6 15 21 16 15 7 5 2 2 2 4 13 5 1 2 2 9 10 4 2 2 1 3 2 5 5 5 1 4 7 5 3 17 16 9 6 6 4 3 6 6 2 2 2 4 12 9 6 4 2 2 2 1 1 1 1 1 0 1 1 0 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 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 1 2 2 1 2 5 5 7 5 4 4 4 3 3 7 10 13 10 12 16 37 30 11 3 19 30 11 6 12 22 100 42 67 13 15 12 2 5 4 5 2 3 4 3 2 3 3 3 3 3 4 3 2 2 2 2 2 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 1H | 70 69 dq 1H J 7 15 | 47 46 dd 2H J 8 52 | 45 45 m 1H | 34 34 t 1H J 52 | 15 15 d 6H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Oc1ccc(O)cc1)C(=O)OCCOCc1ccccc1F
ir: 5 6 4 10 7 5 15 8 6 7 12 3 5 10 8 5 11 4 3 1 2 3 10 1 2 2 7 4 1 2 2 3 2 2 3 3 3 0 1 7 10 23 62 25 5 2 2 3 2 3 2 1 3 1 24 21 28 19 6 5 3 1 1 2 1 3 5 2 3 16 14 8 5 3 16 40 23 13 7 30 100 40 7 16 10 3 1 10 33 9 6 3 16 3 2 1 2 6 6 2 2 2 1 0 1 2 3 3 1 1 1 5 1 3 3 2 2 6 5 4 4 11 11 5 9 2 3 1 2 3 1 1 0 1 2 2 6 32 2 1 1 18 13 8 26 4 2 31 32 3 2 6 6 2 1 1 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 2 4 1 1 1 3 4 2 2 1 1 11 5 3 7 19 7 9 87 40 16 8 5 1 0 4 11 3 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dddt 1H J 9 18 36 87 | 73 72 dddd 1H J 18 40 77 86 | 72 71 m 2H | 68 68 m 2H | 68 67 m 3H | 49 48 q 1H J 67 | 46 46 dd 2H J 8 37 | 44 43 m 2H | 38 37 t 2H J 50 | 15 15 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Cl)cc1CNC(=O)c1nonc1CO
ir: 3 2 0 2 2 13 6 2 1 2 2 4 1 1 1 3 1 2 1 1 1 1 1 1 2 1 1 3 5 20 4 1 2 1 1 2 1 1 1 1 0 1 1 2 6 20 2 1 1 1 1 2 5 11 2 3 2 0 1 1 1 1 1 3 1 2 3 6 4 2 1 1 1 1 3 2 1 0 1 1 0 1 1 1 2 1 3 8 14 38 13 5 6 3 4 2 2 1 1 2 4 4 1 1 1 1 0 0 1 1 1 1 3 1 1 2 1 6 3 3 3 10 4 2 3 4 13 3 1 1 1 1 1 1 1 1 1 3 1 2 2 3 4 4 2 1 2 1 9 9 11 1 2 3 2 13 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 2 3 5 6 2 3 2 2 1 3 2 2 4 3 6 7 6 3 2 1 3 4 13 100 29 4 2 2 1 1 1 1 0 2 3 1 2 5 6 16 19 6 7 5 4 3 2 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 t 1H J 62 | 73 72 m 1H | 72 71 m 2H | 50 50 d 2H J 61 | 48 47 dd 2H J 7 62 | 38 38 t 1H J 60 | 24 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1=CCN(c2ncccc2F)CC1
ir: 5 4 5 7 6 5 5 5 5 6 5 6 8 5 9 4 3 8 6 4 2 14 100 21 11 5 2 6 6 3 3 5 5 4 6 5 5 5 22 6 17 4 6 6 5 5 4 5 4 3 4 5 4 4 4 6 4 4 4 7 4 4 8 7 4 4 5 6 5 4 4 5 5 4 4 4 5 9 58 8 4 12 5 9 4 4 5 5 7 12 5 4 4 4 6 8 4 5 5 6 13 5 5 5 4 5 8 5 4 6 6 4 4 5 7 5 4 6 6 5 5 6 11 7 6 6 8 5 4 8 6 5 4 5 6 5 6 14 23 11 8 5 4 4 4 4 5 7 11 5 4 4 4 5 7 6 8 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 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 5 8 5 7 8 21 10 7 5 3 5 6 5 0 54 94 7 7 4 3 5 5 4 3 5 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; 1HNMR: 81 81 dd 1H J 21 43 | 73 72 ddd 1H J 20 81 102 | 72 72 tt 1H J 9 42 | 71 71 dt 1H J 45 82 | 42 42 dt 2H J 10 42 | 37 36 m 2H | 29 28 ddt 2H J 10 46 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(Br)CC1CCCCC1
ir: 11 3 5 2 2 1 1 2 2 3 5 5 1 1 1 1 1 1 1 0 0 1 1 7 2 1 2 1 3 1 4 2 1 2 1 1 1 2 5 3 1 1 1 1 1 1 3 1 1 1 2 2 2 1 1 1 1 2 1 4 2 1 1 1 2 2 1 3 1 0 5 1 7 2 2 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 2 1 4 5 3 3 2 3 1 2 2 3 3 8 10 12 19 14 20 8 10 11 7 5 10 19 16 23 8 6 7 4 4 4 5 3 2 2 2 3 1 2 1 1 1 1 0 1 2 1 1 6 8 100 99 4 7 2 2 0 0 2 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 7 7 6 2 3 9 8 15 4 8 18 10 3 3 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 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 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; 1HNMR: 43 42 t 1H J 82 | 37 37 s 2H | 22 21 dt 1H J 79 147 | 20 19 dt 1H J 80 147 | 19 17 tp 1H J 60 77 | 16 12 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccccc1N1CCN(C(=O)c2cnc3sccn3c2=O)CC1
ir: 1 2 5 2 4 3 2 2 1 4 2 3 6 4 2 3 12 18 3 5 4 4 1 2 1 16 6 4 3 9 15 9 5 7 7 12 23 31 43 100 16 2 4 19 4 3 5 6 5 30 24 11 7 4 5 4 4 3 6 6 11 6 7 5 2 1 2 3 2 4 6 13 4 1 3 14 2 1 2 1 3 1 2 6 5 8 3 16 15 6 2 2 8 4 7 10 4 6 8 7 5 7 2 1 1 4 1 2 0 2 4 1 2 4 3 8 5 2 2 5 2 4 4 7 34 11 1 3 5 34 35 25 22 25 4 6 5 56 96 9 3 1 3 1 1 8 14 6 1 4 25 7 18 43 62 35 7 5 1 2 6 42 12 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 2 1 1 2 1 2 4 1 2 2 2 2 11 29 11 23 44 29 39 90 36 11 4 1 1 2 1 1 0 0 1 0 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 87 s 1H | 75 75 d 1H J 62 | 72 72 d 1H J 62 | 71 71 m 2H | 69 69 td 1H J 15 77 | 66 66 dd 1H J 15 66 | 36 36 m 5H | 33 33 m 4H | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=CC2=C(CCNC2C(=O)CCCCC=O)CC1(OC)c1ccc(OC)c(OC)c1
ir: 2 2 1 3 8 3 2 1 2 1 0 1 2 1 1 2 2 3 3 4 3 2 8 4 4 3 2 3 3 2 2 3 6 2 1 4 7 2 2 3 4 2 4 7 1 1 2 2 3 3 2 3 5 18 32 22 21 4 11 3 2 4 7 6 4 5 48 13 12 2 7 6 2 3 4 6 2 1 3 32 8 4 2 2 5 3 2 2 3 3 4 2 2 3 2 2 1 2 3 4 8 4 3 5 2 2 3 3 7 18 35 15 11 5 5 7 11 8 8 5 4 5 7 12 3 6 4 4 12 11 9 2 2 4 4 3 2 3 2 2 5 13 5 2 2 3 1 4 7 8 8 2 2 3 3 6 2 1 1 1 1 6 2 3 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 2 2 2 2 4 2 2 2 2 3 2 2 4 11 15 10 17 25 9 3 3 2 2 1 2 1 1 1 1 1 1 1 3 2 6 9 26 100 24 1 3 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 98 97 tt 1H J 9 56 | 70 70 dd 1H J 22 84 | 69 69 d 1H J 22 | 69 68 d 1H J 85 | 59 58 dp 1H J 10 20 | 43 42 ddt 1H J 11 20 73 | 39 38 d 6H J 22 | 38 38 s 2H | 35 34 s 2H | 32 31 dt 1H J 43 71 | 31 30 dtd 1H J 24 43 133 | 30 29 dtd 1H J 26 44 134 | 29 28 dt 1H J 10 163 | 26 26 dt 1H J 10 163 | 25 23 m 6H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCc2cc(OCCSc3ccccc3)ccc2N1
ir: 1 5 5 5 4 2 5 3 3 3 2 5 4 3 3 5 8 12 4 2 2 2 5 10 5 7 2 2 6 28 54 10 3 8 19 69 5 2 2 9 35 39 10 4 6 2 7 1 1 2 5 3 3 13 33 8 4 3 1 1 6 4 7 2 8 5 3 17 17 24 5 0 2 3 2 1 2 6 2 1 2 2 1 0 20 4 3 7 3 2 3 7 4 3 1 2 6 40 8 3 1 2 3 4 5 12 5 4 13 1 1 2 1 3 7 7 3 4 6 7 3 2 3 6 5 3 2 3 2 3 3 9 29 5 4 4 3 1 1 1 2 6 14 4 2 2 2 2 4 6 16 6 9 31 27 71 19 2 2 5 4 1 2 19 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 1 2 1 1 3 3 3 3 5 3 2 1 2 3 3 12 14 7 21 100 24 10 4 1 2 2 1 1 2 2 1 1 1 2 2 1 3 3 3 5 14 7 5 15 86 15 12 5 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H | 74 73 d 1H J 89 | 73 72 m 5H | 68 68 dd 1H J 21 89 | 67 66 dt 1H J 8 19 | 43 42 t 2H J 49 | 32 32 t 2H J 49 | 29 28 ddt 2H J 8 59 77 | 28 27 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)NC(=O)C(C)(C)O2
ir: 4 3 2 4 7 10 7 6 11 4 1 3 4 2 1 3 4 6 20 24 17 11 13 6 4 2 2 8 3 3 2 3 2 11 13 11 14 79 34 6 7 1 1 4 3 1 2 4 2 0 2 4 2 0 34 20 5 5 4 2 13 5 5 5 17 29 37 22 11 1 3 4 2 2 3 3 2 2 2 3 2 2 3 3 3 5 9 7 9 7 5 6 5 13 15 6 12 21 15 5 3 3 16 13 2 2 3 2 6 3 3 2 2 3 4 11 16 6 11 16 9 4 5 4 34 11 9 12 27 9 4 6 15 6 3 2 2 2 3 2 2 3 3 3 19 18 3 3 4 3 19 9 14 6 18 100 15 4 3 2 2 3 5 68 16 8 3 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 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 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 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 3 2 5 5 2 2 2 2 2 4 3 4 4 6 5 21 35 17 15 29 37 4 4 4 3 2 2 3 2 2 3 3 2 3 3 4 3 2 3 6 10 8 19 69 63 23 15 12 5 2 3 3 2 3 2 3 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 100 100 s 1H | 76 76 d 1H J 22 | 70 70 d 1H J 83 | 68 67 dd 1H J 22 82 | 38 38 s 3H | 15 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(N)ccc1I
ir: 13 6 3 4 5 3 1 2 3 2 2 3 4 2 1 2 3 1 2 3 3 2 1 3 3 1 1 3 3 2 2 4 4 2 2 4 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 4 9 4 5 10 5 0 2 4 2 1 2 4 2 1 3 3 3 4 3 5 4 0 2 3 1 4 6 6 6 3 3 3 1 2 4 2 1 1 4 5 1 4 4 2 1 1 3 2 1 1 3 2 1 2 3 3 8 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 2 1 1 2 3 2 3 2 3 1 2 2 3 1 2 3 3 5 7 7 30 29 100 10 5 1 2 1 10 73 5 5 3 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 2 3 1 1 2 2 1 1 2 2 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 1 0 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 2 2 1 1 3 2 1 2 3 3 2 2 4 3 2 5 4 4 7 9 6 8 3 2 4 2 2 2 3 2 1 2 2 2 1 2 2 5 16 67 7 1 0 3 3 0 0 4 5 9 11 14 15 7 2 2 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 75 74 d 1H J 74 | 65 65 d 1H J 22 | 64 63 dd 1H J 22 73 | 35 35 s 2H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnc(Cl)c2)n1
ir: 0 1 1 1 0 1 1 0 1 1 1 1 1 2 3 5 2 2 1 3 7 11 4 2 1 1 1 1 3 2 1 7 1 1 2 1 1 2 61 5 3 1 0 1 0 0 0 1 0 0 1 1 2 4 3 100 2 5 4 0 1 1 1 1 4 12 18 6 2 11 6 9 3 2 7 1 2 2 0 0 1 1 1 1 2 1 1 1 1 0 1 0 1 1 0 0 1 2 4 3 1 1 0 0 1 0 4 0 1 0 0 4 32 2 1 2 6 1 1 1 3 5 19 7 2 1 1 1 2 1 1 2 14 3 2 1 1 0 0 1 2 2 24 9 59 3 2 3 13 9 2 2 1 1 1 1 3 28 7 2 5 5 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 3 8 44 30 14 8 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 53 | 84 83 d 1H J 22 | 79 79 m 2H | 78 78 m 2H | 77 76 dq 2H J 14 114 | 70 70 d 1H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2nc(-c3ccc(OC)nc3)c(N(C)C(C)C)nc2c1
ir: 5 1 3 2 9 17 6 5 1 2 6 47 5 0 2 1 2 1 3 7 9 2 1 4 5 8 15 1 2 1 5 5 3 5 7 12 5 7 3 2 1 1 1 7 1 2 1 1 1 1 4 2 3 17 49 10 12 10 4 3 2 1 1 17 3 3 2 5 3 7 16 3 2 2 2 3 1 2 2 4 1 1 1 1 1 1 1 2 2 5 2 5 5 3 7 5 8 2 2 1 2 2 6 4 7 16 16 15 15 24 7 3 1 2 1 4 9 2 2 7 5 4 5 4 3 3 2 30 47 4 3 4 7 2 3 2 3 100 7 1 4 24 4 6 21 9 16 2 3 11 11 4 7 10 13 0 1 3 1 1 2 16 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 1 1 1 1 1 1 1 4 3 2 7 5 8 79 29 12 3 4 2 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 19 | 85 85 t 1H J 14 | 82 82 d 2H J 13 | 82 81 dd 1H J 19 85 | 69 69 d 1H J 85 | 47 47 ddt 1H J 15 75 90 | 39 39 s 2H | 39 39 s 2H | 33 32 d 3H J 14 | 13 13 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CC(CCl)c2ccc(N)cc21
ir: 98 91 0 29 53 43 48 24 36 28 19 23 37 18 19 22 25 22 18 22 22 20 17 19 18 18 18 20 21 19 21 23 23 22 26 33 24 18 19 21 21 16 19 21 18 16 19 20 18 19 21 24 19 21 27 26 21 24 25 23 17 15 18 19 21 18 27 31 61 38 18 37 29 30 21 21 18 20 95 29 23 19 17 20 23 21 18 19 64 23 22 25 17 20 24 24 19 21 20 19 15 19 24 44 29 22 21 25 19 18 29 21 15 17 19 17 16 17 21 20 21 30 23 26 19 17 19 17 16 17 20 30 16 17 18 16 16 17 17 16 16 18 21 25 16 18 17 16 16 20 20 21 24 53 48 67 100 29 23 15 17 19 19 53 42 17 18 17 17 17 17 15 16 18 16 15 16 17 16 15 17 17 16 15 17 17 16 15 17 17 16 16 17 17 16 16 17 17 16 15 17 17 16 16 17 17 15 16 17 17 15 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 16 16 17 16 16 17 17 16 16 17 17 16 16 17 17 16 16 17 17 16 16 17 17 20 20 18 18 17 17 19 18 17 19 19 21 18 24 37 34 19 39 55 35 23 18 19 17 16 17 18 16 16 17 18 16 16 17 17 17 21 54 35 17 16 17 17 16 17 18 18 24 66 69 23 17 18 18 18 16 16 17 16 15 16 18 17 15 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 16 16 17 17 16 17 17 16 15 16 17 16 15 16 17 16 16 16 17 16 16 16 17 16 16 17 16 16 16 17 16 16 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 15 16 17 16 15; 1HNMR: 72 72 dd 1H J 8 85 | 67 66 d 1H J 21 | 64 64 dd 1H J 22 86 | 46 45 s 2H | 44 43 dd 1H J 38 125 | 41 40 dd 1H J 37 125 | 40 39 dd 1H J 20 112 | 38 37 dd 1H J 19 113 | 34 33 dtd 1H J 11 21 41 | 30 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ncnc(N[C@H]2CC[C@@H](C3(C)CC3)CC2)c1Cl
ir: 4 5 6 16 5 11 16 10 10 4 5 3 7 4 4 5 8 4 2 4 3 6 16 4 5 2 1 2 2 1 2 5 5 3 1 5 6 3 22 48 23 8 22 11 15 6 6 1 5 2 3 2 3 5 4 1 3 3 2 1 2 2 2 2 2 3 3 2 2 3 2 2 3 2 2 2 2 2 2 3 2 4 2 3 2 2 2 2 2 3 2 3 5 6 5 4 3 7 11 4 2 2 1 2 2 4 3 5 15 7 11 6 2 5 7 11 3 6 2 3 5 4 8 3 2 2 2 2 3 8 2 3 3 8 3 2 2 4 5 5 8 4 3 2 2 6 80 81 6 1 10 39 6 0 3 11 100 10 4 1 2 2 2 1 2 2 2 1 2 2 2 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 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 2 2 2 3 2 2 2 2 2 3 3 3 2 3 4 4 6 7 3 3 3 2 3 2 3 4 2 2 2 2 2 2 2 2 2 3 2 3 3 3 2 6 8 16 11 42 16 3 3 3 2 2 2 1 2 2 2 2 2 2 1 1 1 1 1 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H | 60 59 d 1H J 82 | 37 36 dtt 1H J 27 55 82 | 29 28 q 2H J 74 | 20 19 m 2H | 16 15 m 4H | 14 13 m 5H | 13 12 dddd 1H J 26 43 64 78 | 9 9 d 3H J 15 | 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.
CCCCCCC(F)COS(=O)(=O)c1ccc(C)cc1
ir: 8 10 2 3 2 3 1 2 12 11 10 18 8 2 1 1 2 1 0 1 1 1 0 2 6 1 0 1 1 0 0 4 4 1 0 1 1 1 3 3 5 4 16 33 3 1 1 2 2 1 2 4 8 52 3 2 1 1 1 2 1 3 5 13 12 3 9 20 12 7 2 3 1 1 2 2 1 3 2 2 3 55 6 7 100 13 1 3 70 5 1 0 3 19 18 4 3 2 1 1 3 1 0 1 1 2 2 1 15 9 3 2 1 1 2 1 1 2 5 6 2 4 2 15 8 8 6 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 6 5 2 7 1 1 1 1 1 0 1 1 1 0 7 2 1 1 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 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 2 2 1 4 3 2 0 2 2 3 1 1 12 11 2 34 13 18 2 6 2 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 48 47 tt 0H J 55 66 | 47 46 tt 0H J 55 65 | 43 42 ddd 1H J 56 136 172 | 41 40 ddd 1H J 55 136 172 | 24 24 d 3H J 10 | 19 17 ddtd 1H J 65 84 150 169 | 16 14 m 2H | 14 13 m 1H | 13 13 m 5H | 13 12 m 1H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(N[C@@H]1CCCN2c3cc(Br)c(F)cc3Oc3ccccc3[C@@H]12)C(F)(F)F
ir: 1 2 5 2 1 4 2 1 1 1 0 1 1 1 2 3 1 2 4 1 3 1 2 1 8 5 4 2 3 1 0 2 2 20 5 9 14 100 13 7 3 7 19 2 72 7 1 1 1 0 1 2 6 1 1 1 1 1 1 1 1 4 13 6 4 8 12 51 8 4 1 3 2 2 8 8 5 3 1 4 1 2 8 19 4 2 3 14 5 3 2 2 1 2 2 3 3 9 16 20 6 1 3 6 1 1 12 4 4 3 5 9 17 19 1 3 4 3 3 2 1 1 1 2 2 1 8 2 2 1 3 4 3 12 3 1 3 14 6 6 3 3 3 3 17 11 16 22 9 8 19 0 5 23 6 6 1 1 1 1 1 1 0 2 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 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 1 0 1 0 1 1 1 1 2 2 2 2 2 1 1 2 13 8 12 47 26 10 3 3 1 1 1 1 1 0 1 1 1 1 2 5 2 1 2 1 2 2 6 38 18 4 2 3 2 1 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; 1HNMR: 74 73 ddd 1H J 13 73 81 | 73 72 ddd 1H J 6 14 85 | 71 71 ddd 1H J 11 73 85 | 70 70 m 2H | 66 66 d 1H J 122 | 66 65 dq 1H J 19 119 | 49 49 dd 1H J 7 66 | 43 42 dddd 1H J 31 59 68 123 | 38 37 m 1H | 35 34 m 1H | 22 21 m 1H | 20 19 m 2H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Oc1ccc2ncccc2c1)C(F)(F)F
ir: 11 8 11 21 10 6 9 4 11 10 15 10 6 6 4 9 3 3 8 6 2 2 2 4 5 8 6 1 1 3 3 3 2 2 2 2 3 2 2 2 7 4 2 2 2 3 6 6 13 8 5 4 3 2 4 18 44 74 16 0 3 4 4 3 3 4 2 1 3 11 23 43 13 5 2 1 2 2 2 2 2 2 3 7 6 100 35 8 14 22 10 3 4 3 1 5 13 18 24 5 3 2 1 2 3 2 1 2 3 6 4 3 3 2 0 2 3 2 1 2 4 2 1 2 4 3 2 2 3 1 1 2 2 1 1 2 2 5 7 3 3 1 1 3 3 3 10 12 4 5 15 14 5 1 5 10 16 7 2 3 2 0 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 2 2 3 2 1 3 3 9 28 48 9 6 2 4 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 89 88 dd 1H J 17 41 | 81 80 dt 1H J 18 85 | 80 80 m 1H | 75 74 dd 1H J 41 83 | 75 74 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@@H](Cc1ccc(OCCCOc2ccc(NC(=O)c3cccc(F)c3)cc2)cc1)C(=O)O
ir: 1 1 1 0 0 1 1 2 2 2 2 2 2 3 3 3 2 1 4 3 7 5 16 13 2 3 3 2 1 1 1 0 1 1 1 1 1 3 3 0 16 15 3 3 2 5 2 2 6 1 2 1 3 6 5 4 7 5 2 1 2 1 2 1 1 2 2 3 2 10 3 2 2 1 3 2 2 1 4 8 11 3 2 1 1 2 1 6 2 1 2 1 1 1 1 3 3 1 2 2 2 1 2 3 5 1 1 1 1 2 1 1 1 1 1 1 0 1 1 1 2 2 1 1 2 2 5 2 2 1 0 0 1 0 0 1 0 0 2 4 4 1 7 22 3 2 23 10 14 12 9 10 7 10 4 2 2 0 1 0 0 1 1 1 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 2 1 1 1 1 1 1 2 2 0 4 7 9 31 11 5 3 5 2 2 3 16 100 53 12 6 2 1 1 1 0 0 1 1 1 2 8 15 8 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 86 86 s 1H | 78 77 m 2H | 76 75 m 2H | 76 75 td 1H J 52 78 | 74 73 m 1H | 72 71 dt 2H J 9 89 | 69 68 m 4H | 42 41 t 4H J 64 | 40 40 tq 1H J 16 71 | 34 34 d 3H J 15 | 31 31 ddt 1H J 9 71 140 | 30 29 ddt 1H J 9 71 141 | 23 22 p 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NCc1ccnc(C#N)c1
ir: 2 3 3 6 4 6 18 14 9 7 24 20 50 18 10 5 10 13 15 13 7 7 12 10 14 18 32 41 35 69 30 50 48 43 8 8 3 16 14 9 4 7 6 3 9 7 4 3 2 3 2 1 2 4 1 3 2 5 3 8 9 5 3 6 11 18 26 17 20 14 17 25 8 34 10 12 8 7 2 2 3 4 2 3 3 2 0 3 16 27 15 4 4 3 2 4 11 13 12 34 5 3 2 2 4 3 6 31 19 7 3 3 4 2 1 2 7 5 5 9 8 27 19 20 30 8 5 6 8 2 1 3 4 5 4 31 21 8 6 2 10 16 23 66 100 69 89 51 32 6 6 10 4 2 2 3 3 5 7 36 32 11 2 3 2 2 1 2 2 1 2 3 2 1 2 2 2 0 2 3 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 1 2 2 2 1 2 2 1 1 2 2 2 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 3 4 3 4 3 4 3 7 2 3 3 10 7 5 26 19 26 66 45 31 18 4 5 6 1 2 3 3 2 0 1 3 3 2 3 6 5 11 20 14 22 25 24 62 17 7 6 3 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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: 84 84 d 1H J 41 | 75 75 m 2H | 72 71 t 1H J 59 | 45 44 dt 2H J 8 59 | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(-c2ccc(Br)cc2O)c(C)c1Cl
ir: 2 1 2 1 1 1 2 2 3 2 2 2 3 2 3 2 1 3 3 4 4 1 2 3 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 6 11 2 0 0 1 1 0 1 1 1 0 1 4 2 1 1 1 1 1 1 1 1 2 3 2 2 5 1 2 2 1 1 1 1 1 1 2 2 3 4 1 1 1 1 1 0 1 1 2 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 5 4 3 0 1 1 0 0 1 1 2 6 1 1 1 1 2 1 1 2 2 0 0 1 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 1 0 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 4 3 2 1 1 4 43 100 11 1 0 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 86 86 s 1H | 76 75 d 1H J 84 | 74 73 dd 1H J 21 83 | 73 72 d 1H J 22 | 25 25 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2nc(-c3ccccc3OCCCn3ccnc3)cs2)cc1
ir: 3 1 2 2 3 2 1 2 3 2 2 3 4 3 2 2 2 1 1 2 2 1 3 3 3 2 3 2 4 7 15 8 3 12 13 16 9 4 6 19 32 26 15 23 6 16 7 4 4 3 11 16 6 0 2 3 2 2 2 5 7 5 4 2 2 2 2 6 9 18 6 21 7 4 7 5 9 9 4 6 4 5 9 8 3 4 6 4 3 17 10 11 17 8 4 4 2 2 5 3 13 10 36 19 1 3 4 5 7 5 6 8 5 4 12 4 6 5 9 8 2 5 4 4 7 5 7 6 4 4 14 13 5 5 4 4 4 1 5 2 1 2 2 4 22 15 12 2 12 12 5 3 4 3 2 1 1 2 1 0 1 2 6 4 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 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 6 3 3 4 3 3 2 4 4 7 18 29 41 46 86 100 58 27 11 2 3 4 1 0 2 2 1 1 2 2 1 0 1 2 1 1 1 2 1 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 80 m 2H | 78 78 tt 1H J 9 18 | 77 76 dd 1H J 13 86 | 75 74 m 3H | 74 73 m 2H | 73 72 ddt 1H J 9 17 37 | 72 72 ddd 1H J 12 75 86 | 71 70 dd 1H J 13 79 | 70 69 dd 1H J 16 38 | 41 41 t 2H J 59 | 40 40 tt 2H J 8 70 | 22 21 tt 2H J 59 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CCc2cc(Br)cnc21
ir: 3 3 2 3 2 2 2 2 2 2 2 3 2 2 1 2 2 2 2 2 2 2 2 2 3 2 3 4 3 3 2 3 2 4 3 3 5 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 3 3 2 2 2 2 2 2 2 2 3 3 3 3 2 2 2 1 2 2 2 2 2 2 2 2 2 3 7 3 10 11 5 3 3 3 3 3 3 3 2 2 2 2 1 2 2 3 13 3 5 2 3 2 2 4 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 6 2 2 2 2 2 2 2 2 2 2 4 2 3 3 2 2 2 4 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 3 5 3 4 2 3 2 0 80 41 100 11 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 84 84 d 1H J 16 | 83 83 dt 1H J 9 19 | 49 48 q 1H J 47 | 46 45 d 1H J 42 | 31 30 dddd 1H J 9 74 93 158 | 30 28 dddd 1H J 9 75 93 158 | 24 23 dddd 1H J 48 75 93 150 | 22 20 dddd 1H J 47 75 92 150
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(C#N)ccc1-c1ccc(N)c(OC(F)(F)F)c1
ir: 2 2 10 23 6 7 9 5 4 4 3 4 3 3 2 1 1 2 1 3 2 1 1 2 1 2 1 1 2 2 6 2 2 2 1 1 1 3 2 2 3 1 2 2 1 1 1 1 1 2 1 1 1 4 16 5 2 2 3 5 4 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 4 5 2 1 1 1 1 1 1 1 1 3 1 1 1 2 1 1 2 5 4 3 6 17 5 11 4 3 1 4 3 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 4 5 2 2 3 6 6 4 5 19 9 4 3 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 8 9 5 9 3 1 1 1 1 1 1 1 1 1 1 1 1 1 3 16 3 1 0 1 1 0 0 2 2 2 16 100 4 3 2 0 0 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 74 dd 1H J 17 78 | 73 72 d 1H J 17 | 71 70 d 1H J 57 | 70 70 d 1H J 78 | 63 63 d 1H J 57 | 44 44 s 2H | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC[C@H]1O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1F
ir: 4 6 4 8 6 2 3 3 6 5 3 4 3 1 1 3 3 4 5 3 2 2 1 1 1 1 1 2 2 1 1 5 2 1 3 2 1 1 1 1 1 1 2 2 1 1 1 3 1 1 1 1 1 1 2 4 1 0 1 1 1 1 3 8 2 1 3 8 10 4 2 7 2 2 3 4 8 5 2 6 2 2 2 3 4 9 12 46 10 11 32 15 12 7 9 3 3 2 5 3 2 4 4 1 1 2 1 9 1 1 2 2 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 3 2 4 1 0 1 1 0 0 1 1 0 1 2 1 2 7 3 1 1 1 1 1 0 0 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 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 2 1 2 3 5 4 3 3 2 4 6 12 3 3 2 3 5 5 100 69 1 2 6 2 2 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 s 1H | 78 78 s 1H | 61 60 ddt 1H J 14 41 54 | 50 49 ddd 0H J 13 27 56 | 49 48 m 3H | 48 47 m 1H | 46 45 ddtd 1H J 12 26 39 114 | 39 38 ddt 1H J 36 57 115 | 37 36 ddt 1H J 37 57 117
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)NCc1ccc(-c2cnc(N)c(C(=O)Nc3ccncc3)c2)cc1
ir: 2 2 1 1 3 3 3 2 3 6 4 4 2 4 2 3 2 5 4 3 4 10 2 3 2 2 2 1 1 4 5 5 4 2 2 2 3 5 3 4 8 18 14 13 26 39 12 10 6 2 2 3 2 3 4 5 3 13 9 2 2 1 2 2 1 1 1 1 2 3 6 4 11 3 3 4 1 4 2 1 1 0 1 2 1 1 1 1 1 1 2 1 2 2 4 3 2 5 1 1 1 2 5 6 1 0 1 1 0 1 1 6 0 1 3 3 11 6 2 2 1 2 4 5 2 1 2 1 2 3 8 6 2 5 7 2 1 1 2 1 1 2 1 2 2 9 11 3 12 12 10 8 8 14 11 25 8 3 2 6 8 17 3 1 3 3 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 7 24 20 6 3 3 1 1 1 1 1 1 0 1 1 1 1 1 1 3 6 6 22 12 4 3 7 9 1 1 1 4 52 100 5 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 85 d 1H J 16 | 84 83 m 4H | 76 75 m 2H | 74 74 m 5H | 73 73 s 2H | 38 38 dt 2H J 9 65 | 29 28 t 1H J 65 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCC(C)N1c1cccc(Nc2cc(-c3cccc(C(=O)O)c3)nn3ccnc23)n1
ir: 5 4 3 3 4 4 2 2 5 5 6 4 3 7 3 7 16 15 8 12 18 98 77 29 15 7 6 10 9 4 14 33 24 21 9 13 37 13 9 11 10 4 3 4 8 6 27 32 32 9 12 9 4 0 3 5 4 2 3 4 2 0 3 4 5 2 3 5 4 4 5 9 8 6 16 14 12 17 21 13 8 13 4 7 4 3 4 5 5 3 4 7 6 3 23 13 3 5 4 3 2 2 4 9 21 5 8 7 4 4 5 4 5 6 11 17 8 7 9 7 11 8 5 5 4 5 8 17 4 8 10 6 6 4 3 2 5 6 9 16 11 39 13 8 8 17 28 24 3 7 35 7 5 4 4 8 7 33 41 41 17 18 9 1 8 11 5 1 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 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 3 2 0 1 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 3 3 2 1 2 4 3 2 3 4 3 2 5 11 8 6 13 39 39 49 23 22 13 6 4 7 64 100 8 5 2 1 3 3 2 1 3 4 2 4 7 7 15 28 41 18 7 4 2 2 3 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 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 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 91 90 s 1H | 84 83 t 1H J 22 | 81 80 ddd 1H J 12 21 81 | 80 80 s 1H | 79 79 d 1H J 48 | 78 77 ddd 1H J 12 22 75 | 76 76 dd 1H J 75 82 | 73 73 dd 1H J 71 79 | 73 72 dd 1H J 15 79 | 72 71 d 1H J 46 | 64 63 dd 1H J 15 72 | 41 40 qt 2H J 49 60 | 21 20 m 2H | 18 17 m 2H | 12 12 d 6H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C1(O)c2ccccc2-c2ccccc21
ir: 14 6 7 9 8 8 14 10 6 8 7 5 3 2 2 3 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 4 3 3 5 6 3 3 3 3 14 7 52 16 10 1 2 3 2 1 2 2 2 1 3 3 2 1 2 4 5 3 2 4 2 2 3 2 2 2 2 2 5 6 7 6 4 13 6 3 2 3 11 6 7 2 7 14 100 14 0 0 3 2 2 2 9 5 3 2 2 4 6 3 2 2 2 12 4 2 1 3 9 3 2 2 2 3 10 2 3 5 3 2 2 2 1 3 2 2 2 1 2 2 4 12 10 13 3 5 8 3 2 2 8 3 3 2 4 9 9 2 2 3 2 2 1 2 1 2 4 3 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 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 2 1 1 1 2 2 1 1 2 2 1 2 2 2 2 3 2 3 2 4 4 6 60 38 7 10 5 12 34 13 2 3 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 76 m 2H | 74 73 m 8H | 73 72 td 1H J 15 72 | 72 71 td 1H J 12 73 | 69 69 dd 1H J 12 70 | 49 49 s 1H | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)C(=O)C(C)(C)S(=O)(=O)N2c1cccc(F)c1
ir: 5 11 16 17 13 8 6 5 9 6 6 8 11 3 5 11 3 2 5 2 3 12 10 7 1 3 4 7 1 5 6 17 34 29 1 2 3 5 5 13 16 3 2 2 4 8 6 34 14 5 2 0 1 3 3 2 2 3 2 1 2 3 2 8 10 6 11 22 8 9 3 6 21 8 52 4 5 5 5 3 5 3 5 3 17 7 59 0 4 14 12 6 8 28 22 16 5 10 6 5 5 4 1 1 2 4 1 7 13 9 9 6 8 1 2 4 8 17 10 15 6 12 5 6 3 3 7 3 4 5 3 5 3 4 8 18 9 4 5 8 22 9 98 7 6 4 3 3 7 0 29 28 6 2 3 24 1 1 1 2 1 27 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 2 3 2 2 1 3 3 3 3 2 4 6 6 12 23 18 6 69 100 15 6 2 3 2 3 1 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 74 72 m 6H | 69 68 m 3H | 51 51 s 2H | 43 42 qdd 1H J 31 59 79 | 39 38 ddd 1H J 35 62 125 | 36 35 ddd 1H J 35 62 126 | 25 24 m 2H | 22 21 m 2H | 16 15 s 2H | 15 14 s 2H | 13 12 d 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
ir: 1 1 1 0 2 1 1 1 4 2 15 14 3 1 1 0 0 1 1 0 1 0 1 0 3 4 1 1 1 3 11 9 1 2 4 3 50 100 8 5 3 2 6 1 4 10 8 4 3 4 4 6 7 8 7 91 33 7 6 3 2 0 0 2 4 1 1 1 2 5 1 1 1 1 1 1 2 3 0 0 1 0 0 1 1 2 5 11 1 5 1 2 0 0 1 1 1 1 2 3 13 6 9 40 13 8 12 10 4 7 4 4 8 2 4 1 1 1 1 1 1 1 2 2 5 11 6 8 1 3 2 6 2 1 1 0 0 1 0 1 1 2 2 4 2 2 21 8 5 74 79 4 10 10 3 2 2 1 1 1 1 1 15 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 1 1 0 0 0 1 1 1 0 1 2 2 1 7 3 5 3 2 3 4 5 7 30 13 34 8 6 3 1 3 2 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 1 32 53 10 8 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 s 1H | 75 75 m 2H | 72 71 m 2H | 21 20 pd 3H J 49 56 | 19 19 d 6H J 52 | 18 17 dt 3H J 57 128 | 17 16 dt 3H J 58 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1CCC(NCc2cc3c(nc2OC)CCC(=O)N3C)C(c2ccccc2)N1
ir: 1 2 3 8 6 2 1 1 2 5 3 3 3 1 4 1 2 2 2 1 1 2 2 2 5 1 3 1 2 3 3 5 1 5 4 1 2 3 5 15 8 26 7 2 9 4 6 11 17 1 2 7 5 1 14 7 7 1 2 9 6 4 1 2 2 2 2 6 5 3 7 6 5 2 1 1 5 3 6 4 3 1 1 1 1 1 1 1 0 1 3 4 2 1 1 2 5 7 4 2 2 7 2 5 8 3 9 6 4 12 1 4 7 24 11 3 8 5 4 5 8 5 7 4 2 7 10 15 6 2 5 14 19 6 7 5 7 6 14 14 6 2 4 7 2 2 100 6 23 3 2 0 8 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 1 1 1 0 1 0 1 1 1 1 1 1 1 2 2 2 2 1 1 1 2 2 5 10 4 5 32 8 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 5 54 38 6 3 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 9 | 74 73 m 2H | 73 72 m 3H | 46 45 m 1H | 41 40 ddd 1H J 7 60 163 | 40 39 m 1H | 40 39 s 3H | 36 36 s 2H | 35 34 dtddd 1H J 16 28 41 55 109 | 32 31 dq 1H J 45 64 | 31 31 m 2H | 30 30 q 1H J 62 | 28 28 m 2H | 22 22 dd 1H J 71 81 | 20 18 m 3H | 17 15 m 3H | 10 9 td 3H J 15 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C(C#N)=C1C=CC(=NOC(=O)C(Cl)(Cl)Cl)S1
ir: 2 5 16 11 7 5 4 9 5 2 3 4 2 8 3 2 2 3 2 2 2 4 3 20 25 3 2 2 2 2 2 3 2 2 3 1 2 2 2 2 7 11 9 17 44 0 10 5 3 1 2 3 2 1 2 3 2 1 2 3 4 23 83 5 2 30 2 1 4 8 2 3 14 3 3 8 2 3 2 2 2 2 2 5 2 3 2 2 2 3 7 2 3 5 8 3 2 2 3 3 3 12 2 2 2 2 2 2 2 2 3 5 12 3 20 16 2 2 3 11 2 2 2 2 2 2 2 2 2 2 13 3 3 15 2 3 2 5 12 2 2 3 14 8 4 3 3 2 18 6 33 39 6 2 2 3 2 4 6 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 4 5 3 9 7 100 28 10 10 4 3 1 2 3 3 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 75 75 m 1H | 75 74 d 1H J 62 | 73 73 m 1H | 73 73 m 1H | 73 72 m 1H | 65 64 d 1H J 62 | 25 24 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C(N)=O)c1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2F)cc1
ir: 5 1 2 1 1 1 3 4 15 4 4 4 2 2 5 3 5 9 30 7 2 4 3 5 2 7 5 4 3 2 1 2 3 3 3 17 14 3 8 100 2 2 4 2 2 3 8 4 2 2 2 2 2 7 5 11 8 2 2 2 2 1 2 1 18 2 4 13 4 2 4 2 2 8 1 5 2 2 3 2 2 12 4 8 10 3 5 7 7 13 2 1 2 2 7 2 3 2 27 4 2 2 4 2 1 2 2 1 1 1 1 1 1 1 1 1 2 4 3 3 5 2 3 2 2 3 2 1 2 1 3 5 2 2 2 1 2 3 1 7 17 4 9 1 2 2 5 3 2 3 11 2 16 3 2 3 16 26 23 27 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 5 12 8 23 20 9 5 5 3 3 2 1 1 1 1 1 1 1 1 1 1 2 12 2 2 1 1 1 2 1 1 2 3 0 14 47 1 3 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; 1HNMR: 81 81 s 2H | 80 79 m 2H | 79 78 dd 1H J 12 78 | 77 76 m 2H | 75 74 ddt 1H J 10 19 87 | 74 73 m 2H | 73 72 t 1H J 79 | 71 70 m 1H | 70 69 ddd 1H J 27 80 104 | 69 68 td 1H J 27 121 | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)OC[C@@H](C)C2(O)CCCC2)cc1
ir: 55 13 36 18 7 12 27 17 25 60 25 56 44 28 22 13 8 9 9 3 6 3 1 5 20 2 2 3 2 2 1 5 4 2 2 2 3 5 2 3 6 5 15 38 11 10 6 1 3 2 3 4 4 89 4 12 3 2 3 4 2 3 3 9 22 76 24 17 19 20 7 2 4 2 3 3 4 6 4 16 23 56 17 29 68 25 4 4 27 6 6 7 5 28 100 15 29 12 4 11 23 4 4 6 5 8 9 3 4 2 3 4 9 6 4 5 3 3 12 6 7 8 8 17 20 27 12 5 3 3 1 3 2 3 2 2 1 1 1 1 1 1 1 1 2 3 11 14 5 6 4 0 7 1 1 1 1 1 1 1 5 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 3 7 6 14 3 6 6 11 11 9 50 21 11 7 4 4 6 13 4 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1; 1HNMR: 77 76 m 2H | 75 74 m 2H | 41 41 dd 1H J 62 123 | 39 38 dd 1H J 62 123 | 27 27 s 1H | 24 24 d 3H J 10 | 20 19 qt 1H J 62 76 | 19 18 m 2H | 18 17 m 4H | 16 15 m 2H | 10 10 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c2c(Br)cccc2s1
ir: 2 5 3 3 3 3 7 4 4 6 5 6 8 10 3 3 3 3 4 4 13 76 27 9 5 5 7 5 3 2 2 4 5 11 3 54 11 6 3 3 3 2 3 4 3 0 39 79 4 16 4 2 3 4 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 5 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 4 3 3 3 5 4 9 41 4 2 2 4 4 6 3 4 5 21 4 4 3 2 3 3 3 2 3 3 3 2 3 3 4 14 4 3 2 2 3 3 2 2 3 4 2 2 3 4 11 29 11 3 3 3 4 6 10 3 4 3 2 3 9 100 49 8 5 11 23 5 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 2 3 3 2 3 3 2 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 7 20 53 27 5 7 5 5 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 5 3 13 90 13 3 2 2 3 3 3 5 3 3 3 3 4 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 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 93 93 s 1H | 76 76 dd 1H J 12 74 | 75 74 dd 1H J 12 81 | 72 72 dd 1H J 74 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC1(C(=O)OC(C)(C)C)CC1(CO)c1ccccc1
ir: 4 10 3 8 4 3 4 3 8 12 37 10 6 2 2 5 5 3 5 3 3 3 4 3 4 5 8 10 9 5 7 13 10 36 45 15 8 10 11 12 6 39 14 7 4 2 2 2 3 3 3 3 3 3 5 7 6 3 6 7 3 5 6 9 2 2 2 7 8 14 3 15 4 2 3 3 6 2 2 3 4 3 15 5 12 6 89 46 12 9 4 2 4 9 8 3 3 3 5 5 2 2 2 3 7 4 13 3 2 3 3 3 3 3 4 3 2 3 6 7 8 6 5 6 6 23 17 20 5 14 6 10 6 4 6 21 2 1 2 2 3 8 9 13 18 44 58 19 7 73 11 25 1 4 2 0 2 4 4 1 2 3 2 1 1 2 2 0 1 2 1 0 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 2 2 1 2 3 2 3 4 7 3 2 2 2 2 1 2 4 2 4 7 11 52 10 29 100 8 16 12 7 4 3 5 56 12 4 2 3 3 1 2 2 2 1 3 3 2 3 8 48 45 8 4 6 3 2 2 1 1 1 1 1 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; 1HNMR: 74 74 m 2H | 73 72 m 4H | 65 64 s 1H | 43 42 dd 1H J 45 124 | 40 39 dd 1H J 45 124 | 33 32 t 1H J 45 | 27 27 d 1H J 121 | 25 24 d 1H J 121 | 14 14 s 8H | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(=C/c1cnc(CC)n1Cc1ccccc1)CC(=O)O
ir: 17 14 3 5 5 4 15 7 6 5 3 6 5 9 7 5 4 2 5 3 6 10 2 6 4 3 2 2 4 5 3 3 5 3 18 11 11 12 48 18 15 6 8 14 7 5 3 5 6 5 7 15 5 7 4 12 11 3 6 4 3 2 2 5 4 2 3 10 7 12 6 6 9 3 3 18 3 6 6 2 2 5 6 13 11 10 4 3 9 6 4 2 3 2 3 2 3 5 11 10 5 3 5 15 3 1 2 3 1 7 3 5 9 5 11 18 22 17 9 7 14 7 12 10 16 10 9 5 2 22 16 6 7 19 7 8 11 5 3 2 4 5 17 100 16 5 6 4 7 6 22 24 7 2 3 1 2 1 2 2 1 2 1 1 1 2 2 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 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 2 2 1 3 4 6 4 4 4 5 3 10 7 6 6 6 8 9 24 64 24 15 37 28 69 23 11 5 7 1 94 31 1 3 4 1 0 2 2 1 0 2 2 1 0 1 2 1 0 2 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 2 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 0 1 1 1 0 1 1 1 0; 1HNMR: 76 76 t 1H J 16 | 73 72 m 3H | 72 72 ddq 2H J 9 15 58 | 72 72 s 1H | 54 53 t 2H J 9 | 43 42 q 2H J 71 | 34 34 d 2H J 15 | 28 27 q 2H J 71 | 13 12 t 3H J 71 | 12 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(Cl)c(O)c1
ir: 8 4 2 1 1 2 2 1 3 3 2 2 3 8 2 2 2 1 3 31 30 100 21 1 2 2 2 1 1 2 3 1 1 1 2 1 2 1 1 0 1 1 1 0 4 2 1 0 1 1 1 1 1 2 3 2 5 1 0 1 1 1 0 0 1 1 1 1 2 3 1 1 1 2 3 8 42 46 25 23 7 3 2 1 10 12 3 4 1 7 13 10 5 7 12 0 1 1 0 5 4 2 0 2 2 0 0 0 1 0 0 0 1 0 1 2 1 1 1 3 3 2 1 2 2 1 1 1 3 3 1 1 1 0 0 1 1 0 0 1 3 6 6 12 15 2 1 3 9 3 1 1 2 2 1 0 0 0 0 0 1 4 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 3 2 2 0 0 0 1 1 2 2 4 22 18 6 4 2 1 1 1 1 15 33 38 21 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 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; 1HNMR: 73 72 d 1H J 84 | 69 69 ddt 1H J 8 18 86 | 68 67 dt 1H J 9 18 | 65 65 s 1H | 36 35 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCSC1=CCCCC1
ir: 4 1 0 1 2 1 1 6 8 2 0 9 6 2 2 3 4 2 1 2 5 5 2 2 2 1 0 2 2 0 1 2 3 3 1 3 2 1 5 4 7 7 9 6 12 9 5 14 6 0 2 4 3 6 8 9 9 11 16 7 5 6 41 47 38 9 5 2 4 10 12 2 4 3 6 2 1 1 1 1 1 1 2 1 2 2 6 16 2 1 2 2 1 3 2 3 1 2 2 2 1 1 3 2 2 11 7 24 19 18 17 16 21 21 21 50 15 17 24 55 25 12 8 6 4 8 13 2 0 2 2 2 1 3 3 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 11 36 3 2 3 1 0 1 2 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 2 6 5 9 14 19 38 19 8 5 7 7 12 18 100 89 31 25 22 13 7 4 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 56 55 tq 1H J 9 42 | 28 27 m 2H | 23 23 ddt 2H J 10 50 59 | 20 19 dtd 2H J 10 44 67 | 17 16 m 6H | 14 13 m 2H | 9 9 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC1F
ir: 4 15 21 11 3 4 3 10 5 5 16 3 1 3 1 1 1 1 1 1 1 1 1 1 1 3 2 4 1 1 1 1 2 1 3 4 4 2 5 16 30 27 14 2 1 1 1 0 1 1 2 1 2 2 1 1 4 6 1 0 1 1 1 2 1 1 1 1 1 2 3 10 3 6 6 5 4 2 1 0 1 1 1 3 4 4 3 4 20 75 7 5 2 2 2 2 6 7 5 3 5 16 22 13 6 6 10 18 20 14 9 7 4 2 3 2 6 5 1 1 1 1 1 1 1 1 1 3 3 1 1 1 4 3 12 11 12 7 12 9 12 9 16 25 100 34 17 13 11 20 20 24 12 11 3 2 2 0 1 1 6 11 2 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 2 1 1 1 1 1 1 1 1 1 4 5 10 22 35 40 19 24 10 5 13 13 7 4 3 2 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 48 48 q 0H J 59 | 47 47 q 0H J 59 | 42 40 m 2H | 23 22 dtd 1H J 59 71 169 | 21 20 dddd 1H J 59 72 93 167 | 19 17 dddd 1H J 59 72 93 167 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1c(Sc2cc(Cl)cc(Cl)c2)c(COCc2ccccc2)n(C)c1=O
ir: 20 20 21 20 20 20 20 20 20 20 20 20 19 19 20 20 22 20 19 19 20 25 20 20 20 20 20 20 21 33 23 20 20 19 19 20 21 20 28 52 39 100 27 20 20 25 20 19 19 20 20 19 20 20 20 19 20 23 20 19 20 20 20 22 29 34 29 28 31 27 23 23 24 21 22 20 21 21 20 20 20 20 19 19 20 20 20 23 21 32 28 28 22 20 20 20 21 21 24 20 20 19 19 19 20 20 20 21 20 20 19 20 23 20 21 22 23 24 24 34 30 24 32 28 20 20 22 21 20 21 22 21 20 22 21 25 21 21 21 30 23 23 26 20 20 21 22 22 20 20 21 19 21 23 21 0 29 22 27 22 20 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 20 19 20 20 19 19 19 20 19 19 19 20 19 19 20 20 19 19 19 20 19 19 20 20 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 19 20 19 19 20 20 19 19 20 20 19 19 20 20 19 19 20 20 20 20 20 20 20 20 21 20 20 20 24 25 31 24 28 32 49 47 34 24 23 23 22 21 20 20 20 20 20 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19 19; 1HNMR: 74 72 m 7H | 72 72 d 2H J 22 | 46 45 h 1H J 75 | 45 45 t 2H J 9 | 43 43 s 2H | 33 33 s 2H | 14 14 d 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(Cl)c(C=O)c(OC)c1
ir: 6 12 26 13 6 5 7 5 6 21 6 11 14 27 4 8 4 10 6 7 7 5 48 11 2 10 9 5 15 13 9 4 7 14 7 7 5 7 6 7 14 13 8 4 4 6 5 6 7 16 8 2 5 7 6 6 11 12 11 21 23 7 14 2 12 37 100 49 32 7 12 14 17 9 11 19 7 5 4 3 5 9 6 38 4 4 5 4 4 5 4 5 4 5 8 5 5 4 6 5 4 5 8 9 69 17 4 6 15 25 0 42 32 17 14 10 8 15 8 23 21 14 6 10 7 12 41 14 21 30 7 7 5 7 8 4 4 5 5 5 3 7 7 2 28 90 28 15 10 2 3 8 6 3 7 30 8 4 12 8 7 5 6 77 10 2 4 7 4 2 4 6 4 2 4 8 10 4 5 6 3 3 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 5 5 3 3 5 4 3 3 5 4 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 4 3 4 5 4 2 4 5 4 3 4 5 4 3 4 5 4 3 4 5 3 3 4 5 3 3 4 5 3 3 5 4 3 3 4 4 3 3 5 5 3 3 5 5 4 5 10 7 4 5 5 5 3 6 7 5 3 6 7 8 14 29 23 16 56 99 8 11 7 5 5 5 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 5; 1HNMR: 79 79 d 1H J 20 | 75 75 d 1H J 22 | 44 44 q 2H J 64 | 39 39 s 3H | 14 14 t 4H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(CCC(=O)NNc2ccc(F)cn2)CC1
ir: 4 1 2 4 2 2 1 2 0 2 0 1 1 1 2 3 1 1 2 1 2 3 2 2 1 3 11 5 3 2 6 3 7 6 4 19 6 4 3 2 1 5 2 1 4 2 1 1 1 1 3 5 3 7 8 2 3 3 2 0 1 1 1 0 2 2 3 2 2 24 2 1 1 0 0 3 0 0 2 6 32 3 2 3 3 18 5 1 0 1 1 1 1 1 8 1 2 3 4 1 1 4 2 3 1 1 1 2 12 1 1 1 1 1 1 0 0 1 1 1 1 6 3 0 0 1 1 1 3 4 3 9 7 12 17 21 5 11 5 6 5 2 1 1 0 6 7 4 70 2 1 5 1 0 3 2 1 0 0 1 4 26 2 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 1 0 0 0 0 1 1 1 2 5 2 5 4 7 4 1 2 1 1 1 0 0 1 0 0 1 0 0 0 1 1 4 5 2 9 100 17 4 12 3 5 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 d 1H J 60 | 90 89 d 1H J 62 | 82 81 dd 1H J 19 140 | 74 74 ddd 1H J 20 77 103 | 70 69 dd 1H J 43 76 | 28 27 t 2H J 57 | 27 26 m 4H | 26 25 m 4H | 24 23 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccccc1-c1cc(Cl)cnc1N
ir: 5 8 5 4 2 3 3 3 4 4 3 7 9 7 12 3 3 5 5 6 9 4 3 3 3 3 3 3 2 3 2 1 2 3 4 4 4 13 11 19 17 25 25 27 6 5 3 1 3 3 3 2 4 5 3 0 2 4 3 1 2 3 1 1 2 2 8 7 6 4 2 4 5 11 7 2 2 2 1 1 3 3 1 1 5 3 3 1 3 2 1 1 2 3 6 7 12 3 1 3 4 2 0 1 2 2 1 2 3 2 3 4 3 2 1 2 5 2 2 7 4 1 1 2 3 1 1 2 3 8 9 2 3 3 1 9 5 6 2 2 3 2 2 3 5 26 32 32 5 17 49 83 39 27 10 9 25 13 2 7 4 2 2 3 2 0 2 2 2 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 3 3 1 1 2 2 1 2 3 2 0 2 3 2 3 3 7 5 14 23 6 4 2 2 2 2 1 2 2 1 1 1 2 1 2 2 22 38 4 2 2 1 1 2 1 1 1 3 22 100 78 6 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 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 79 d 1H J 16 | 78 78 d 1H J 18 | 75 75 dd 1H J 13 72 | 75 74 td 1H J 17 71 | 74 73 td 1H J 13 69 | 73 73 dd 1H J 18 69 | 64 64 s 2H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2nc(Cl)ncc2C)cc1OC
ir: 4 6 5 5 4 2 3 5 6 7 22 11 3 6 4 6 1 2 1 2 1 3 4 5 9 3 2 6 2 2 1 1 2 2 3 5 4 14 48 26 5 3 2 0 1 2 2 6 1 2 1 1 1 2 8 20 5 5 4 1 1 1 1 1 4 2 2 2 9 9 3 1 19 6 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 5 3 2 2 7 17 8 12 8 3 1 2 3 2 3 4 4 2 10 13 5 7 18 15 34 5 3 2 1 4 4 28 4 3 5 100 4 3 5 13 12 15 3 5 21 7 5 26 24 4 2 11 12 0 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 3 2 3 6 8 13 19 12 4 3 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 82 d 1H J 8 | 80 80 d 1H J 88 | 75 75 dd 1H J 16 88 | 73 73 d 1H J 17 | 39 39 d 6H J 49 | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1Br)C1=C(c3cccs3)C3CSCCN(C(C)(C)C)C(=O)C3N1CC2
ir: 14 13 12 10 2 10 12 9 8 7 9 11 8 13 8 7 11 13 12 10 4 18 19 19 11 15 8 4 6 33 15 19 3 33 14 16 25 13 25 19 24 25 21 15 8 12 49 21 8 35 8 12 9 9 7 3 9 43 23 4 7 10 17 22 11 22 6 24 37 30 37 20 17 32 7 9 8 11 11 2 7 8 3 18 17 13 20 5 10 14 8 8 18 43 4 5 11 7 3 11 11 19 17 15 20 5 7 19 58 17 14 9 25 33 16 17 27 49 29 22 60 26 14 11 17 11 23 25 26 16 11 93 63 9 15 21 29 16 29 7 10 6 8 12 16 16 29 69 50 7 6 18 54 28 13 7 4 6 93 8 5 0 4 9 4 0 3 6 3 0 3 7 3 0 4 7 3 1 4 6 3 1 4 5 3 1 4 6 2 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 4 1 2 5 4 1 3 5 4 1 3 6 4 1 3 5 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 6 3 2 4 5 3 2 5 5 2 2 5 5 3 2 6 5 2 2 6 6 2 5 7 8 4 8 7 6 17 12 10 12 7 11 16 16 58 59 27 38 95 17 37 100 5 10 7 4 3 6 6 3 2 4 5 3 2 4 5 3 2 4 4 3 2 5 5 2 2 5 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5 3 1 3 5; 1HNMR: 76 75 s 1H | 74 74 dd 1H J 18 51 | 71 70 m 2H | 67 66 t 1H J 8 | 44 43 d 1H J 64 | 39 38 s 2H | 38 36 m 5H | 35 35 ddd 1H J 43 69 121 | 29 27 m 6H | 27 26 dd 1H J 48 130 | 14 13 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc(O[C@@H](C)C(F)(F)F)c(-c2ccc(Cl)cc2)c1
ir: 5 22 8 15 10 10 7 7 7 4 6 5 11 3 16 20 6 3 3 3 6 64 22 1 0 8 10 1 1 2 2 2 36 13 21 2 22 54 100 47 18 1 8 8 4 1 2 4 3 4 7 12 6 7 25 77 30 4 3 4 7 7 2 1 2 3 4 20 9 5 3 17 11 8 4 7 4 4 8 5 5 9 6 2 5 7 18 21 1 3 6 3 5 10 27 53 22 8 14 7 10 20 13 8 5 1 1 2 2 3 0 6 16 21 11 14 24 44 23 8 23 43 17 12 14 7 2 5 7 5 2 4 18 40 40 7 3 2 2 2 2 1 3 5 48 100 32 8 12 19 5 8 5 4 10 51 13 8 4 4 25 1 2 24 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 3 4 1 1 1 1 1 2 3 16 8 9 7 7 18 20 29 30 44 10 11 7 4 7 5 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 d 1H J 16 | 86 85 d 1H J 18 | 76 76 m 2H | 74 74 m 2H | 50 49 qq 1H J 53 86 | 39 39 s 2H | 15 14 dq 3H J 36 86
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)c3[nH]ncc3c12
ir: 2 4 1 2 2 4 6 5 4 5 8 4 2 4 4 5 1 5 20 9 4 5 11 7 7 6 7 3 3 10 12 25 50 15 4 5 3 4 3 2 12 5 7 3 2 6 27 2 2 4 1 2 2 1 4 26 17 14 3 2 5 3 2 4 2 2 2 2 3 13 5 2 2 4 3 2 2 2 4 6 3 3 8 10 4 2 3 11 47 4 4 4 4 2 2 2 6 5 5 3 8 2 5 3 12 13 0 3 8 7 8 5 5 8 3 2 2 3 5 2 3 1 1 7 10 12 4 3 2 2 3 2 5 10 9 9 4 4 6 21 3 2 1 5 4 7 5 78 8 1 7 10 17 55 21 4 3 2 2 1 2 1 4 1 5 39 2 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 3 2 2 2 3 3 6 8 11 23 14 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 8 19 100 86 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; 1HNMR: 86 85 s 1H | 85 85 s 1H | 76 76 dd 1H J 13 75 | 75 74 m 3H | 70 70 dd 1H J 11 84 | 69 69 m 2H | 40 39 s 3H | 35 35 m 4H | 30 30 m 4H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCO[C@H]1[C@@H](O)[C@H](n2cnc3c(N)nc(N)nc32)O[C@@H]1CO
ir: 2 8 14 6 16 4 12 8 10 4 10 11 3 5 9 6 11 9 3 9 16 7 8 16 7 7 5 6 6 5 8 11 12 12 10 11 6 16 11 10 12 11 6 5 7 6 5 2 3 2 3 4 2 4 3 2 1 1 2 5 2 2 2 5 3 4 4 6 4 1 5 4 4 2 1 3 13 3 3 6 4 4 3 4 5 3 2 9 13 8 4 15 12 10 5 2 6 7 9 7 13 3 2 3 2 2 2 4 2 2 2 4 3 5 4 3 5 2 5 3 6 3 4 3 4 7 9 4 2 2 3 2 2 1 3 2 3 2 3 5 4 5 7 10 12 14 19 12 9 30 32 36 51 5 55 14 6 3 2 1 2 2 1 0 1 1 1 0 1 2 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 4 2 1 4 3 2 1 2 2 1 3 5 5 7 18 17 24 2 1 3 1 2 1 4 2 9 16 8 4 3 2 1 1 2 2 3 4 25 100 15 3 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 0 0 0 1 1 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 d 1H J 7 | 72 72 s 1H | 63 62 s 1H | 61 60 m 1H | 48 47 tdd 1H J 8 34 57 | 46 45 t 1H J 59 | 44 43 m 1H | 43 42 d 1H J 56 | 41 40 dtt 1H J 11 35 47 | 39 38 dddd 1H J 17 35 56 121 | 36 36 m 2H | 35 34 dt 1H J 68 112 | 16 15 m 2H | 14 13 m 2H | 13 13 m 8H | 13 12 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc(C)c2c(C)nc3sc(Br)nc3n12
ir: 3 1 2 10 3 5 1 1 2 1 1 2 2 2 1 5 7 2 1 1 1 1 4 3 1 1 0 0 1 0 0 0 0 0 0 0 0 0 1 2 2 1 6 7 4 14 6 2 2 4 4 7 2 1 1 1 1 2 2 2 1 0 0 0 2 0 2 4 11 10 6 2 3 5 2 3 5 3 1 0 0 0 1 1 2 1 0 2 5 3 2 1 2 2 3 1 1 1 7 4 2 5 3 2 1 1 1 2 2 4 2 8 10 5 7 12 11 18 23 14 7 9 4 6 1 2 2 3 12 10 23 3 2 3 8 4 3 2 1 1 1 1 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 6 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 2 2 10 7 3 4 1 6 5 14 4 6 3 5 2 5 16 100 17 10 4 2 3 4 6 1 4 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 28 28 d 2H J 59 | 28 28 s 4H | 27 27 s 2H | 18 17 qt 2H J 60 74 | 10 10 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCN(C)c1nc2ccc(NC(=O)c3ccc(OC4CCCCC4)cc3)cc2s1
ir: 3 4 7 5 5 4 5 9 15 27 16 11 9 2 3 2 2 4 2 6 3 2 2 4 4 2 1 2 3 2 3 7 3 3 1 2 3 2 2 3 6 16 14 1 6 3 2 3 5 5 3 3 4 6 14 17 15 18 4 3 2 2 3 4 4 2 3 6 10 11 5 3 1 2 2 2 3 2 4 2 2 3 5 2 5 38 11 9 3 4 4 3 3 7 4 2 2 1 3 7 4 3 5 11 5 5 9 4 1 6 5 6 11 3 5 4 2 13 6 4 6 7 6 4 3 5 5 3 6 3 3 3 2 2 2 1 3 17 14 6 5 31 8 8 100 17 4 2 4 36 5 8 49 10 15 5 2 4 2 0 1 3 3 22 4 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 4 3 2 2 2 3 4 4 7 8 10 16 39 33 11 3 4 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 3 3 5 11 13 27 3 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 83 83 d 1H J 21 | 82 81 s 1H | 79 78 m 2H | 78 78 d 1H J 76 | 77 76 dd 1H J 21 78 | 70 70 m 2H | 45 44 p 1H J 47 | 37 37 t 2H J 72 | 32 32 s 2H | 28 27 t 2H J 72 | 24 23 s 5H | 20 19 dddd 2H J 49 63 83 131 | 18 17 m 1H | 17 17 m 1H | 17 15 m 5H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCCCC1n1c(=O)[nH]c2cnc3[nH]ccc3c21
ir: 2 4 3 2 2 2 1 4 4 8 9 3 2 3 3 3 3 2 1 2 3 13 7 2 3 8 78 33 3 4 4 2 1 2 3 5 2 3 21 5 4 8 4 13 31 5 3 2 2 2 2 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 2 3 1 1 1 3 3 2 1 1 2 3 3 2 9 2 2 2 2 3 4 4 1 1 4 3 9 4 2 8 4 2 1 1 1 1 2 4 11 8 2 2 4 4 2 6 6 4 2 3 3 2 2 2 2 3 2 2 3 2 1 3 2 3 1 1 2 1 1 2 6 20 4 5 7 13 2 8 4 2 1 4 2 1 1 3 10 45 15 18 100 6 4 32 10 3 5 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 3 2 3 2 3 6 6 3 3 2 1 14 6 8 8 3 1 2 1 1 1 1 1 1 1 2 1 1 2 2 3 5 12 45 22 14 37 4 3 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; 1HNMR: 99 98 s 1H | 87 87 s 1H | 74 74 dd 1H J 53 64 | 66 66 d 1H J 53 | 43 42 dtq 1H J 15 60 75 | 21 20 m 1H | 20 19 m 1H | 18 15 m 6H | 15 13 m 2H | 10 9 dd 3H J 15 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
ir: 2 2 3 2 1 3 3 2 5 3 4 4 6 5 7 2 2 3 3 2 4 3 3 2 2 3 3 2 2 3 6 6 7 4 3 3 2 2 2 4 5 0 74 100 21 5 9 11 8 6 3 2 2 3 3 2 6 4 3 2 4 4 4 3 3 3 2 2 3 5 3 3 4 4 2 2 4 3 2 2 3 3 2 3 4 5 2 2 3 3 2 2 3 3 2 4 4 4 2 3 3 3 4 9 5 4 2 3 3 4 4 7 4 3 6 7 4 3 3 3 4 3 3 9 7 7 2 5 12 17 8 5 5 2 2 3 3 8 17 14 5 4 4 3 3 3 4 14 13 5 4 2 6 5 2 7 5 2 6 10 11 5 11 7 3 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 4 3 2 2 3 4 2 3 3 3 2 2 4 3 4 5 7 10 38 32 12 14 7 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 82 dd 1H J 16 81 | 80 79 m 1H | 80 79 m 2H | 78 77 td 1H J 16 80 | 77 76 td 1H J 15 79 | 75 74 m 2H | 41 40 t 2H J 70 | 18 17 dtd 2H J 69 78 148 | 10 10 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(I)cc43)cc2)CC1
ir: 2 4 3 5 1 2 2 1 2 1 2 1 1 1 2 9 5 7 4 4 3 2 2 2 2 2 2 4 4 3 3 5 8 6 5 3 7 9 8 3 3 4 10 1 2 4 2 2 2 2 2 4 8 1 30 21 53 7 4 4 4 9 4 6 14 16 5 3 9 4 2 2 2 2 1 2 2 3 2 3 5 3 7 17 6 3 7 5 4 4 1 3 2 2 2 2 2 3 2 5 4 8 3 2 2 2 4 4 8 8 2 2 2 2 0 2 2 2 2 7 2 3 2 2 6 12 3 2 2 3 2 3 2 2 3 8 4 2 3 11 3 2 2 14 34 5 5 2 4 5 22 42 9 5 8 7 2 3 4 4 4 24 5 5 5 1 2 5 5 15 4 5 5 3 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 2 1 2 2 2 2 2 2 2 2 3 6 4 13 22 12 7 7 4 2 2 2 2 2 2 2 2 1 1 2 2 2 1 2 3 2 5 10 13 100 17 15 3 4 3 2 3 3 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 d 1H J 70 | 80 79 d 1H J 81 | 79 78 d 1H J 22 | 78 77 dd 1H J 22 81 | 70 69 m 2H | 69 68 m 2H | 34 34 m 1H | 34 34 s 8H | 25 24 q 2H J 70 | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OCC(=O)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1
ir: 2 2 5 4 1 3 6 3 2 6 11 13 7 6 4 3 2 7 9 8 2 3 3 1 1 2 5 4 3 14 10 14 13 40 31 29 21 17 7 9 3 3 5 10 5 3 2 0 8 11 23 23 17 32 45 60 64 57 41 19 8 2 7 10 4 4 8 15 91 91 8 3 11 11 13 3 4 4 2 3 3 4 1 1 2 3 3 2 6 6 4 3 6 4 3 1 4 10 4 4 3 3 3 8 15 4 10 3 2 2 1 1 3 2 1 7 10 6 5 3 3 2 1 2 3 5 7 4 5 2 1 2 2 1 0 1 2 5 5 3 2 5 11 12 7 8 41 100 31 48 42 37 36 13 14 57 43 7 26 36 4 2 1 5 4 3 9 8 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 2 2 2 1 3 4 3 2 3 2 1 2 5 7 10 14 65 42 92 84 59 12 7 2 6 4 2 2 1 1 1 1 2 1 2 3 2 3 2 3 4 21 53 12 12 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 99 99 s 1H | 86 85 d 1H J 49 | 77 76 s 1H | 76 75 m 2H | 74 74 s 1H | 69 69 m 3H | 69 68 m 5H | 47 47 s 2H | 39 39 s 3H | 39 38 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCc2cn(-c3ccc(N4CCN(C)C4=O)cc3)nc2CC1
ir: 2 3 3 3 4 1 3 3 4 4 8 7 3 7 23 7 2 1 1 2 5 4 2 6 17 4 4 4 4 3 7 3 5 2 9 8 75 18 9 1 17 2 2 1 1 1 1 3 3 12 5 11 5 8 41 21 9 6 2 4 1 1 2 5 6 4 2 6 13 11 3 1 3 1 4 5 4 6 23 2 9 6 7 11 16 37 10 5 9 20 20 3 5 6 6 6 1 3 4 4 4 25 9 2 4 6 4 2 0 3 4 2 10 6 4 3 3 3 14 36 10 8 7 2 4 6 6 4 6 6 10 8 9 9 8 46 5 7 40 6 3 5 100 24 1 3 2 1 1 5 31 13 5 13 20 24 11 1 1 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 2 1 1 1 2 3 5 4 2 2 4 2 3 7 18 25 20 7 67 29 14 24 15 6 1 2 2 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 4H | 75 75 t 1H J 9 | 39 39 m 2H | 37 36 m 2H | 30 29 m 7H | 29 28 m 3H | 28 28 t 2H J 61 | 11 11 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cccc2nc(CCC#Cc3ccccn3)oc12
ir: 5 14 15 21 14 10 8 14 9 3 3 4 4 3 2 4 4 2 2 2 2 2 19 3 2 2 7 3 4 9 19 6 7 7 6 22 13 7 32 11 31 7 6 5 5 12 17 6 42 6 2 3 3 7 16 4 4 37 2 2 2 2 2 3 2 4 2 2 2 5 39 3 2 2 3 33 4 3 2 2 52 14 15 8 3 2 1 1 2 1 2 1 3 12 5 8 6 3 9 29 74 3 1 7 14 10 4 8 29 3 3 3 10 11 18 5 3 3 1 10 11 13 5 9 5 2 2 9 14 10 5 16 28 14 21 24 20 54 54 14 3 10 6 3 3 2 4 14 8 2 2 2 3 11 1 15 71 9 4 0 1 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 2 3 3 4 5 3 3 6 3 6 5 11 14 12 15 20 100 28 11 4 10 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 17 40 | 78 77 m 1H | 77 77 m 1H | 76 75 dd 1H J 13 86 | 75 75 dd 1H J 86 123 | 75 74 dd 1H J 14 64 | 73 73 ddd 1H J 14 40 62 | 31 30 td 2H J 9 58 | 30 29 td 2H J 9 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(=O)CN1C(=O)OC(C)(C)C
ir: 9 6 4 10 9 7 4 14 17 18 16 54 0 16 24 21 7 5 5 6 8 6 15 19 7 23 11 6 4 4 4 5 5 5 5 5 8 4 5 8 30 12 9 8 7 5 5 7 6 4 6 8 5 4 12 16 5 5 7 6 6 9 8 8 11 16 15 12 7 3 5 5 4 4 5 6 5 5 5 5 4 4 5 5 4 4 5 6 5 6 11 7 4 5 6 6 6 6 8 8 6 7 9 6 5 6 8 6 14 24 22 13 10 11 12 25 19 24 19 25 21 13 14 20 34 22 9 11 18 13 27 13 21 20 8 5 5 5 5 5 6 6 7 7 11 13 54 19 8 7 6 63 100 14 8 0 3 8 5 2 4 7 5 2 4 6 4 2 4 6 4 2 4 6 4 3 4 6 4 3 4 6 4 3 5 5 4 3 5 5 4 3 5 5 4 3 5 5 4 3 5 5 3 4 5 5 3 4 5 5 3 4 5 5 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 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 6 7 7 7 5 7 10 12 6 5 7 10 12 12 30 44 10 6 7 5 3 5 6 4 4 4 5 4 3 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 5 4 4 4 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 4 4 5 4 3 4 5 4 3; 1HNMR: 44 42 m 2H | 41 40 d 1H J 141 | 37 37 s 3H | 28 27 ddd 1H J 55 81 150 | 27 26 ddd 1H J 55 82 150 | 24 23 dddd 1H J 55 65 82 130 | 20 19 dddd 1H J 55 64 81 128 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1
ir: 1 2 1 2 1 2 2 5 2 5 2 3 2 10 2 2 2 2 4 3 1 3 4 1 2 4 1 20 30 37 11 10 5 15 7 24 3 6 8 8 11 17 14 10 13 2 2 1 2 1 2 2 2 2 16 7 2 4 1 1 2 1 2 2 2 2 2 7 23 7 5 3 2 2 1 3 3 7 3 1 1 1 2 2 9 4 4 4 8 7 2 9 4 3 1 3 8 2 2 1 4 3 2 2 2 1 1 1 2 1 0 2 2 4 5 2 5 5 12 14 19 24 4 15 2 14 45 14 8 10 6 36 9 52 50 9 4 7 7 5 7 18 6 12 8 4 11 32 23 7 3 3 3 2 3 2 1 2 1 1 5 1 1 1 1 3 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 1 1 1 1 0 1 0 1 1 1 1 1 1 0 0 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 2 1 2 1 1 3 5 6 16 17 24 38 100 71 12 15 3 4 4 4 2 2 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 dd 1H J 16 85 | 81 81 dd 1H J 14 90 | 78 77 ddd 1H J 13 78 88 | 77 76 td 1H J 13 81 | 75 74 m 8H | 71 71 m 2H | 43 42 qdd 1H J 32 58 83 | 42 41 ddd 1H J 39 61 130 | 41 40 ddd 1H J 40 60 130 | 38 37 m 4H | 24 23 d 3H J 10 | 13 13 d 2H J 84
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(/C=C/C(=O)O)cn1
ir: 1 1 1 1 1 1 2 1 0 1 1 2 4 2 1 1 2 2 3 3 4 6 45 11 4 0 1 1 2 1 0 1 1 0 1 2 7 2 1 2 1 0 1 1 1 1 1 1 0 0 1 4 3 3 4 2 1 0 0 1 0 0 1 2 0 0 1 1 0 2 3 1 1 1 2 4 6 3 55 50 15 9 3 2 1 2 1 1 2 1 0 0 0 0 0 1 1 1 1 1 0 1 5 4 0 0 2 1 1 0 0 0 3 2 1 1 0 1 1 1 1 1 2 1 1 1 1 5 2 2 2 1 1 0 1 1 1 2 5 2 1 2 7 12 3 2 1 1 1 2 4 3 1 1 1 0 1 1 2 1 2 1 0 0 0 1 5 10 1 1 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 1 2 4 7 6 4 4 6 2 2 1 1 0 1 2 2 100 32 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; 1HNMR: 99 99 s 1H | 87 86 d 1H J 18 | 78 77 m 1H | 77 76 m 1H | 74 73 d 1H J 78 | 66 65 d 1H J 170 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCN1CCN(c2ncc(F)cn2)CC1)Cc1ccc(F)c2ccccc12
ir: 3 1 3 3 5 1 0 1 2 4 3 2 2 1 1 1 1 1 2 3 2 2 1 2 3 1 0 3 31 5 3 1 0 1 1 0 0 1 0 0 1 2 6 19 22 1 2 3 2 7 4 6 38 100 9 10 9 7 2 1 2 2 0 0 1 2 2 1 2 2 2 1 8 1 1 2 1 1 1 1 2 9 43 8 2 1 2 2 1 0 1 1 1 1 1 1 2 1 2 3 4 3 2 4 4 2 2 3 2 1 1 1 1 2 2 2 1 1 3 1 1 1 4 4 2 3 6 3 21 6 2 3 4 3 1 7 6 5 8 19 4 10 11 3 4 40 6 3 27 1 3 13 5 3 2 1 1 1 20 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 1 1 4 9 11 11 6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 2H J 139 | 80 79 m 2H | 75 74 m 2H | 73 73 m 1H | 71 70 dd 1H J 82 101 | 38 38 d 2H J 10 | 38 37 m 4H | 29 28 m 6H | 26 25 t 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.