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COC(=O)c1ccc(CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)cc1
ir: 4 6 13 8 9 13 20 16 3 5 7 15 9 20 10 10 19 5 6 6 2 4 4 3 2 6 5 3 3 3 3 3 5 8 5 2 3 5 6 5 5 4 27 18 6 5 5 4 4 6 4 4 9 40 38 6 10 16 10 3 5 5 4 11 17 20 6 2 4 8 5 2 4 4 6 3 8 9 13 11 16 9 16 21 21 19 6 26 33 9 12 19 20 13 6 3 4 4 4 7 7 8 4 5 5 4 3 3 4 4 2 3 5 6 0 21 6 4 4 6 7 6 15 12 5 9 4 5 6 4 3 5 4 4 3 4 7 4 3 5 6 3 9 57 11 16 12 5 10 10 5 13 8 3 3 4 3 2 3 8 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 5 4 2 9 12 35 100 54 14 8 4 4 5 3 4 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 80 79 m 2H | 77 77 m 2H | 75 75 m 2H | 74 73 m 4H | 72 71 m 2H | 46 46 m 4H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC12C(=O)c3ccccc3C1(O)Oc1ccc(Cl)cc12)c1ccnc2ccccc12
ir: 1 1 1 5 8 3 2 1 1 2 10 22 3 2 4 5 6 2 4 2 15 8 8 16 26 15 11 10 8 5 2 7 12 4 4 6 2 17 6 14 24 17 12 21 89 9 8 4 1 2 8 2 2 7 12 2 4 3 1 0 1 1 2 1 3 5 9 2 2 5 4 0 2 10 10 2 2 1 5 8 4 4 1 6 6 6 22 16 8 6 4 3 3 1 1 6 5 3 9 3 26 22 4 2 1 1 0 1 1 3 12 4 15 4 14 14 5 100 4 2 6 3 2 1 1 1 1 0 1 0 1 1 3 4 2 6 7 6 5 3 4 7 7 16 59 14 10 14 10 17 32 5 4 3 2 2 4 5 2 2 6 4 1 1 1 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 2 1 4 4 12 69 40 19 3 15 42 20 10 3 2 1 1 1 1 1 2 2 1 2 1 1 2 3 3 42 45 4 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; 1HNMR: 87 87 d 1H J 46 | 86 85 s 1H | 83 82 dd 1H J 14 86 | 82 81 dd 1H J 15 81 | 79 79 dd 1H J 16 61 | 79 78 d 1H J 47 | 77 77 m 2H | 77 76 ddd 1H J 15 70 83 | 76 75 ddd 1H J 14 60 68 | 75 75 td 1H J 16 69 | 75 74 d 1H J 21 | 73 73 dd 1H J 21 80 | 70 70 d 1H J 80 | 58 58 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2C
ir: 4 7 3 11 14 4 1 4 6 5 3 5 5 7 5 4 3 1 1 4 5 7 3 5 9 4 3 4 7 2 1 3 9 2 1 8 5 9 10 16 10 11 9 9 8 6 14 6 9 7 34 8 6 6 19 5 4 1 2 5 3 4 7 15 28 17 11 9 6 3 3 5 3 7 7 19 37 16 10 8 6 4 17 11 5 1 3 4 3 6 16 12 4 7 7 5 3 2 5 3 3 6 7 3 1 2 4 10 11 6 6 7 3 8 21 13 4 15 8 6 1 4 10 4 5 7 12 16 20 16 11 18 17 19 8 7 8 8 6 8 2 3 3 1 1 4 10 5 3 4 12 27 5 5 13 18 52 4 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 2 4 1 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 2 2 3 3 2 3 8 4 3 4 3 5 3 6 7 7 3 4 15 8 4 4 4 2 1 2 3 1 1 2 3 3 5 19 38 5 7 6 6 11 100 77 6 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 2 3 2 0 2 3 2 1 2 3 2 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0; 1HNMR: 87 86 dd 1H J 20 33 | 82 82 dd 1H J 21 65 | 74 73 dd 1H J 34 65 | 53 52 s 2H | 48 48 q 2H J 26 | 37 36 m 2H | 36 35 m 2H | 35 35 s 2H | 32 31 m 1H | 20 17 m 9H | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(F)c2c1C[C@@H](N(C1CCCC1)C1CCC1)CO2
ir: 5 5 1 2 3 2 1 3 4 2 2 5 5 4 2 6 3 2 2 3 5 3 8 8 27 3 10 3 4 4 2 2 5 3 2 2 3 1 9 2 2 1 2 2 3 5 8 5 3 3 3 2 4 16 20 21 6 3 12 4 4 9 6 4 3 7 31 13 11 9 8 5 3 3 7 7 3 15 9 9 4 3 4 18 4 3 5 3 6 20 4 6 3 3 3 5 4 17 39 17 4 2 4 12 20 20 11 9 5 8 7 8 5 5 7 5 1 7 4 6 4 4 4 7 3 16 8 2 1 3 7 6 7 5 5 13 14 11 6 5 5 10 14 27 27 7 4 3 8 2 1 1 2 22 10 1 1 1 2 24 11 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 1 2 3 2 2 4 10 8 14 12 9 5 5 8 5 23 32 100 50 30 5 4 3 4 2 2 3 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 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 71 70 dd 1H J 86 101 | 67 66 dd 1H J 48 86 | 43 43 dd 1H J 65 102 | 41 40 dd 1H J 38 102 | 38 38 s 2H | 35 34 dtd 1H J 38 64 90 | 32 31 p 1H J 52 | 31 30 dd 1H J 90 150 | 29 28 m 1H | 28 27 dd 1H J 61 151 | 20 19 m 2H | 19 15 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN=C(NC#N)NCCNCCc1nc2ccccc2[nH]1
ir: 3 7 9 11 10 14 11 7 2 7 9 18 6 6 8 6 18 12 15 18 20 8 13 7 11 5 16 22 5 8 20 14 14 25 5 1 4 5 4 4 2 5 76 49 10 0 4 5 6 3 15 12 6 10 6 10 7 6 3 2 3 15 8 4 5 4 6 4 9 14 4 2 7 1 5 9 6 2 1 0 1 1 1 2 1 1 0 1 1 1 1 1 3 2 2 2 6 2 2 1 1 2 1 1 2 2 5 6 2 4 5 48 19 3 4 5 8 12 5 22 12 6 3 2 2 4 3 6 2 4 5 4 4 6 9 100 32 20 14 17 7 3 4 5 4 27 9 3 4 3 5 15 49 3 12 12 2 1 1 1 1 5 6 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 8 3 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 3 1 2 3 1 1 1 2 1 3 7 3 4 10 11 5 2 2 1 2 3 1 2 2 2 1 1 2 2 1 3 6 18 24 8 8 14 30 50 91 72 20 5 4 3 2 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 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; 1HNMR: 99 99 s 1H | 75 75 m 1H | 75 74 m 1H | 72 71 m 2H | 63 63 t 1H J 32 | 54 53 s 1H | 36 35 p 1H J 51 | 35 34 q 2H J 37 | 31 31 dt 2H J 42 53 | 30 29 s 2H | 29 29 dt 2H J 38 49 | 27 27 t 2H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2[nH]c(=O)oc(=O)c2cc1OC
ir: 13 5 3 4 4 3 6 14 4 4 1 1 1 1 1 1 2 1 1 1 2 2 0 3 12 20 9 3 6 31 31 6 10 7 2 1 5 4 5 1 3 1 1 1 1 2 1 0 1 2 1 0 1 1 0 1 1 3 2 5 2 4 1 1 3 10 15 21 19 12 4 6 4 3 2 1 1 1 1 0 1 1 1 0 1 1 0 1 1 2 1 2 5 4 1 1 1 1 1 3 3 1 16 7 4 7 70 9 3 1 1 2 1 2 0 3 7 9 9 2 3 2 1 1 1 2 8 5 4 1 1 1 2 5 2 1 1 4 3 1 1 1 1 1 14 10 1 1 1 1 3 2 11 9 33 36 82 4 5 4 1 1 1 8 55 7 1 2 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 9 28 22 19 8 2 0 1 1 1 0 1 1 1 1 1 1 2 1 2 2 2 2 3 2 7 100 58 8 13 3 2 3 2 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 s 1H | 76 76 s 1H | 39 39 s 3H | 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)CC1c2cc(OC)ccc2N(c2nc(Cl)nc3ccccc23)C1C
ir: 4 3 2 6 3 4 3 3 2 2 3 4 4 6 2 2 2 2 1 2 5 2 2 7 9 7 5 2 6 38 11 4 2 4 2 2 2 2 4 3 4 2 4 63 77 14 5 6 21 30 19 6 5 1 42 27 2 7 4 3 4 8 10 7 5 8 3 17 4 5 4 3 3 2 7 9 6 14 5 4 3 1 3 12 4 7 4 1 11 7 4 6 7 3 2 3 4 6 2 4 6 5 2 3 3 2 4 3 3 5 2 4 21 34 9 5 2 19 24 8 3 4 23 9 2 4 3 2 6 9 11 20 9 34 38 6 6 4 4 24 7 17 100 35 38 18 3 10 10 31 7 17 27 99 5 2 3 56 3 4 2 0 1 2 9 6 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 4 2 2 2 3 4 3 1 3 3 4 3 5 20 14 1 52 55 41 20 4 3 3 2 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 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 1 1 1 0 1 1; 1HNMR: 82 81 dd 1H J 13 97 | 81 80 dd 1H J 14 73 | 78 78 m 1H | 75 75 ddd 1H J 13 69 97 | 71 70 d 1H J 83 | 69 69 dd 1H J 7 22 | 68 68 dd 1H J 21 83 | 46 46 p 1H J 64 | 42 41 q 2H J 64 | 38 38 s 2H | 33 33 ddddd 1H J 8 15 58 73 81 | 28 27 dd 1H J 73 165 | 26 25 dd 1H J 72 164 | 13 13 dd 3H J 15 64 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN1C(=O)N2CCCN=C2c2cc([N+](=O)[O-])ccc21
ir: 2 1 1 1 2 3 3 2 2 1 3 4 5 3 24 23 6 5 2 4 5 1 4 2 2 1 4 4 1 1 1 3 2 1 1 13 3 2 1 2 2 7 4 14 40 18 4 1 3 2 2 1 3 6 28 50 13 2 3 2 2 4 2 4 9 6 8 7 13 15 9 9 26 3 4 3 2 1 3 2 1 1 2 1 0 2 2 2 2 2 1 4 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 3 3 5 5 5 2 8 21 10 7 12 13 14 12 17 6 19 17 4 2 1 3 2 2 4 4 3 8 9 21 17 14 3 1 1 1 1 0 2 5 3 2 3 32 100 15 12 5 15 5 16 8 1 1 1 5 5 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 2 4 4 5 3 5 6 12 10 5 8 5 6 22 67 18 10 9 6 6 4 3 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 21 | 82 82 dd 1H J 21 81 | 76 76 d 1H J 80 | 60 59 ddt 1H J 59 112 171 | 53 52 ddt 1H J 12 23 167 | 52 51 m 1H | 48 47 dt 2H J 14 60 | 42 41 dt 1H J 56 113 | 39 38 dt 1H J 55 112 | 36 35 m 2H | 21 20 ddt 2H J 54 61 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOC(=O)NC1CCN(Cc2ccccc2)CC1
ir: 4 10 15 9 9 7 15 8 3 3 3 2 4 8 14 7 2 2 1 2 2 3 5 3 3 6 15 25 23 9 66 26 25 60 47 97 27 17 23 35 44 48 14 4 4 7 3 1 3 4 11 7 3 1 3 3 4 2 5 13 15 17 8 2 5 6 24 62 28 12 3 2 2 2 2 7 3 13 12 30 31 27 17 4 4 5 14 14 11 15 4 4 3 4 3 3 4 18 19 8 9 6 2 1 4 6 6 8 11 6 1 14 40 18 14 10 10 7 7 5 7 13 15 12 4 6 7 9 4 5 3 4 5 24 18 30 6 3 1 4 5 6 20 51 100 34 36 14 15 37 14 21 18 1 3 2 2 1 1 2 2 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 6 5 5 2 5 3 5 4 5 14 38 26 37 39 19 12 3 2 3 8 8 5 4 1 1 1 1 1 3 2 1 1 2 2 2 7 22 82 55 62 11 7 6 3 1 1 2 1 0 0 2 1 0 0 1 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 5H | 46 46 d 1H J 80 | 43 42 t 2H J 49 | 37 36 m 3H | 36 35 d 2H J 8 | 34 34 s 2H | 28 28 ddd 2H J 55 82 127 | 25 24 ddd 2H J 57 84 128 | 20 19 dddd 2H J 46 56 82 129 | 17 16 dddd 2H J 46 57 84 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncnc(Cn2cc(C(=O)O)c3ncc(Br)cc32)c1C
ir: 0 2 3 1 3 2 3 1 0 3 5 5 3 5 7 6 5 21 5 3 4 6 8 44 16 4 4 1 2 5 7 2 2 6 14 27 100 30 18 41 5 5 5 16 3 5 9 3 3 4 2 1 2 5 3 1 2 3 2 1 2 3 2 5 2 3 9 17 13 4 3 2 3 4 3 1 4 8 84 9 6 8 3 2 2 5 3 2 2 2 3 2 3 11 10 29 7 13 4 2 4 3 7 25 4 2 2 2 3 3 2 2 9 3 2 4 17 4 4 8 4 2 2 4 5 4 3 4 4 4 18 25 4 3 4 3 2 2 2 2 3 18 4 16 15 3 2 6 5 91 16 4 3 7 8 7 14 2 2 18 12 0 1 3 2 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 8 3 4 12 12 4 14 4 9 3 2 0 33 3 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2; 1HNMR: 85 85 d 1H J 16 | 85 85 d 1H J 18 | 83 83 s 1H | 81 81 d 1H J 9 | 54 54 d 2H J 9 | 40 39 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1n[nH]cc1C(=O)NC/C=C\COc1cc(CN2CCCCC2)ccn1
ir: 4 3 2 7 11 37 6 3 7 10 16 32 6 10 9 12 8 7 7 7 14 14 13 10 7 4 4 3 6 4 5 3 1 3 8 3 14 4 5 3 3 7 17 31 44 23 14 11 6 6 3 6 5 4 3 2 3 3 2 2 2 2 2 4 5 7 22 12 24 22 4 2 3 4 4 3 4 4 2 7 5 6 23 9 6 2 2 1 1 2 2 5 2 2 4 1 2 5 16 10 5 3 4 8 81 14 1 1 1 1 8 6 2 3 7 2 3 7 6 10 8 4 2 5 4 3 3 5 2 2 2 3 4 3 3 2 3 17 4 3 5 9 21 31 4 0 3 13 19 12 43 9 23 9 100 12 24 19 4 9 57 2 3 0 2 2 1 0 2 2 1 1 1 2 1 0 2 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 1 1 2 2 3 3 3 2 3 3 3 4 4 10 20 13 10 5 7 8 7 4 1 2 2 2 1 3 2 2 2 4 5 8 81 9 3 2 2 2 11 31 23 75 11 6 15 82 19 3 2 2 1 1 1 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 92 92 d 1H J 38 | 86 85 t 1H J 56 | 81 80 dd 2H J 42 114 | 73 73 s 2H | 71 71 ddt 1H J 9 20 46 | 66 65 dt 1H J 9 20 | 58 57 dddd 1H J 16 31 64 119 | 57 56 dtt 1H J 17 35 87 | 47 47 m 2H | 41 40 dddd 2H J 13 22 36 58 | 37 36 t 2H J 8 | 24 23 m 4H | 16 15 dtd 4H J 32 48 60 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(Cc2ccccn2)c2cccc(Br)c2C1(CO)c1cc2c(cc1O)OCC2
ir: 13 5 6 13 17 5 9 13 21 17 7 6 4 2 2 2 2 5 2 1 1 6 1 2 5 5 9 6 1 2 1 3 5 2 2 2 4 23 5 9 5 2 3 3 2 8 5 18 24 4 1 3 4 1 20 3 1 1 2 3 2 0 1 2 9 1 11 4 5 5 9 3 2 1 1 2 2 5 8 4 9 6 6 3 18 23 2 6 9 10 3 5 3 18 33 12 24 6 1 9 5 2 2 1 1 2 8 2 0 1 3 1 0 1 4 4 0 2 5 4 5 4 3 2 1 1 2 2 5 2 2 1 10 4 3 5 9 2 8 6 2 2 2 1 1 1 1 1 9 35 3 1 2 6 13 3 8 5 14 1 1 1 1 1 1 1 0 0 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 3 1 2 2 1 1 1 1 1 2 6 3 6 18 38 7 2 1 7 42 18 100 6 1 1 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 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 85 85 dd 1H J 17 41 | 77 77 td 1H J 17 76 | 75 74 dd 1H J 13 73 | 73 73 dq 1H J 10 77 | 72 72 m 3H | 72 71 dd 1H J 13 66 | 69 69 s 1H | 64 64 s 1H | 53 52 m 2H | 48 47 dd 1H J 64 112 | 45 45 dd 1H J 64 112 | 45 44 t 2H J 42 | 37 37 t 1H J 64 | 32 31 td 2H J 9 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=N)NNC(=O)c1ccc(-c2cc(C(=O)NC3CC3)ccc2C)cc1
ir: 1 1 2 2 0 3 5 3 2 6 5 4 2 4 7 2 3 4 3 5 2 10 11 42 6 5 9 2 7 32 49 23 45 16 16 10 2 9 13 17 100 13 21 16 27 6 5 6 2 2 3 1 5 3 4 2 6 6 2 1 2 2 2 1 2 3 5 9 17 15 5 3 2 5 9 4 4 8 16 17 7 3 1 2 3 2 2 3 4 3 1 4 3 1 1 1 2 2 1 2 2 1 1 2 2 2 1 5 3 2 2 10 6 5 2 3 2 5 2 2 2 2 4 2 6 4 1 3 3 5 5 4 10 7 24 11 53 43 21 4 8 13 7 51 84 14 2 3 7 4 9 9 5 7 4 5 3 0 1 1 1 1 6 2 4 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 2 1 1 1 1 1 1 1 2 1 2 3 3 1 8 8 18 55 16 6 9 5 2 1 1 2 1 1 1 2 4 1 10 25 13 6 2 5 4 19 27 55 34 19 14 8 3 3 1 2 4 1 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 d 1H J 15 | 79 79 m 2H | 78 77 m 2H | 77 76 m 2H | 74 74 m 2H | 70 70 s 1H | 31 30 dp 1H J 47 71 | 25 24 d 3H J 10 | 20 20 s 3H | 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.
CC(=O)Nc1ccccc1-c1nc2ccccc2o1
ir: 3 2 1 3 3 3 1 2 4 5 25 4 3 1 3 3 17 28 8 10 4 2 1 2 3 0 0 3 6 0 1 4 3 3 3 9 8 1 2 15 22 8 77 79 2 18 10 1 1 4 2 0 4 4 3 4 2 2 2 1 2 3 1 1 2 2 2 2 7 6 31 3 4 5 3 9 3 2 3 3 2 2 3 3 3 3 3 1 1 1 2 2 3 5 4 2 2 2 3 4 6 7 2 2 2 3 11 16 2 2 1 2 1 2 2 19 32 8 11 8 4 4 4 2 1 3 6 6 5 7 32 17 5 3 3 3 8 17 31 3 3 6 15 31 51 6 100 8 6 91 28 7 7 26 4 3 6 25 8 6 15 34 7 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 2 2 2 2 2 2 2 3 3 5 5 4 7 7 8 14 12 92 64 35 7 5 3 2 2 4 2 2 2 3 2 2 2 3 2 3 2 6 7 12 25 25 44 22 7 4 2 2 3 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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; 1HNMR: 80 79 dd 1H J 13 101 | 76 75 m 4H | 75 74 m 4H | 73 73 ddd 1H J 14 76 102 | 20 20 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1C1=CCN(C)CC1
ir: 2 10 7 7 10 7 5 18 6 8 13 14 5 14 3 8 11 16 14 9 4 11 7 8 7 8 6 12 14 6 6 6 8 8 11 6 8 4 9 9 9 7 3 3 2 3 4 12 3 2 1 5 21 19 12 16 15 8 5 2 3 7 9 30 13 6 13 20 21 8 19 6 4 5 12 4 5 5 4 4 25 5 7 23 6 3 53 8 18 41 8 5 1 9 13 12 21 6 9 9 12 65 16 4 3 11 21 10 10 2 3 1 1 4 4 7 7 12 12 8 10 8 7 7 7 4 6 6 9 3 10 19 7 3 4 2 2 3 2 1 2 3 20 12 26 2 2 3 3 19 25 7 41 10 3 3 5 3 2 0 1 2 1 6 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 2 2 2 2 4 3 3 7 7 5 6 21 37 30 17 5 3 4 2 2 2 2 1 1 1 1 1 2 1 2 2 3 2 2 3 2 4 6 48 100 28 4 2 4 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 93 92 s 1H | 80 79 d 1H J 77 | 79 79 d 1H J 25 | 74 74 dd 1H J 26 79 | 72 72 dd 1H J 22 86 | 71 71 d 1H J 21 | 69 69 d 1H J 87 | 61 60 tt 1H J 9 34 | 39 38 s 3H | 35 34 dt 2H J 10 33 | 29 29 dd 2H J 43 55 | 28 28 ddq 2H J 10 47 56 | 27 26 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.
CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1cc2ccc(C(=O)O)cc2s1
ir: 2 1 1 4 1 2 2 1 1 2 1 4 4 12 6 4 5 6 7 6 7 31 57 11 9 2 3 2 3 2 3 1 2 1 3 7 5 1 1 2 1 0 2 5 2 1 1 2 1 2 2 1 2 3 2 28 7 0 2 3 2 8 7 2 1 1 7 5 9 2 3 5 2 2 3 21 3 4 17 100 19 7 2 4 2 2 3 2 5 2 1 1 2 1 1 1 2 2 2 4 4 4 1 1 1 1 0 1 3 2 0 1 1 2 1 6 6 2 4 4 3 7 6 6 6 9 6 1 2 4 3 3 3 1 1 1 1 1 1 1 2 5 9 7 37 8 10 1 0 1 2 4 2 1 1 3 4 1 0 1 1 0 0 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 3 1 1 1 1 2 1 2 1 1 2 5 3 16 10 16 51 24 11 4 2 1 0 1 1 2 43 3 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: 85 85 m 1H | 80 79 m 2H | 72 72 d 1H J 20 | 69 69 m 2H | 68 67 dt 1H J 9 80 | 49 48 s 2H | 22 22 s 3H | 21 20 dq 2H J 67 135 | 19 18 dq 2H J 67 135 | 12 12 s 8H | 9 8 t 7H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CBr)c(C#N)cc1CBr
ir: 12 8 1 7 13 7 4 9 12 7 3 10 15 8 3 12 14 9 5 13 14 6 4 13 20 7 6 11 13 11 31 21 48 15 11 29 30 34 11 15 14 11 11 20 12 4 7 16 10 2 5 11 6 1 6 11 6 0 7 12 9 24 25 38 31 62 46 61 92 14 15 17 10 12 10 10 6 10 8 9 4 3 8 9 5 4 11 10 5 9 20 62 43 9 18 11 7 10 12 11 6 17 22 16 5 26 18 17 0 11 12 8 2 7 13 7 2 11 22 13 13 17 12 8 3 12 16 16 3 10 13 5 4 8 9 4 4 8 10 3 16 33 8 4 4 8 8 7 10 10 10 13 38 96 25 11 7 10 7 2 5 12 9 3 6 10 6 1 6 11 6 2 6 11 6 2 7 10 6 2 6 11 11 5 7 9 5 2 7 9 4 3 7 8 4 4 8 8 4 3 8 8 3 3 8 7 3 4 8 7 3 4 9 7 2 5 9 6 2 5 9 6 2 5 10 6 1 5 10 6 1 6 10 5 2 6 9 5 2 6 9 5 2 7 9 4 3 7 8 4 3 8 8 4 4 8 8 4 4 8 8 4 4 9 7 4 5 9 7 4 6 9 7 3 9 29 14 4 7 12 8 5 10 18 36 22 23 69 100 28 17 10 6 5 7 9 6 4 6 8 5 3 7 8 5 3 7 8 4 4 7 8 4 4 7 8 4 4 8 7 3 4 8 7 3 4 8 6 3 5 8 6 3 5 8 6 2 5 9 6 2 5 9 5 2 6 9 5 3 6 8 5 3 6 8 5 3 6 8 5 3 7 8 4 3 7 7 4 4 7 7 4 4 7 7 4 4 7 7 3 4 8 6 3 5 8 6 3 5 8 6 3 5 8 6 3 5 8 5 3; 1HNMR: 75 75 t 1H J 9 | 69 69 d 1H J 8 | 45 45 dd 4H J 8 38 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)Oc1ccc(Oc2cc(C(F)(F)F)cnc2C#N)cc1)c1ccccc1
ir: 15 11 28 16 10 4 5 4 13 9 14 10 9 31 25 13 10 7 5 2 2 3 3 3 1 3 6 53 9 7 11 6 30 21 14 9 7 20 7 3 10 22 37 32 15 7 5 1 2 5 4 3 4 10 20 52 70 39 14 9 5 4 2 3 6 4 5 10 21 41 7 2 7 10 5 5 7 6 8 5 3 4 3 2 3 5 10 26 21 16 4 8 15 5 9 4 0 2 99 25 11 4 2 5 10 10 5 5 7 15 10 15 8 3 1 14 34 7 6 6 3 5 19 15 68 74 67 17 16 46 16 12 13 6 8 19 9 3 2 5 4 1 26 14 7 11 13 25 24 40 100 68 42 20 9 22 5 1 2 10 20 4 2 3 2 1 2 3 2 0 2 3 2 0 2 4 2 1 2 3 2 0 2 3 1 1 2 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 3 1 2 3 2 3 5 4 4 5 6 12 37 88 61 33 12 6 10 6 4 1 4 4 3 1 3 4 2 1 3 3 2 1 3 3 1 1 2 3 1 2 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 84 83 p 1H J 13 | 77 77 dq 1H J 9 18 | 75 74 m 2H | 74 73 m 2H | 71 70 m 3H | 70 70 m 2H | 33 33 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(-c3ccccc3)c(CC(=O)O)n(C)c(=O)c2cc1C
ir: 4 4 4 5 4 5 14 13 9 11 15 33 13 15 11 13 8 9 8 25 30 100 32 23 24 5 14 6 5 5 8 24 22 24 6 6 5 7 17 7 5 5 12 28 11 31 16 8 6 5 5 2 5 4 3 4 4 4 4 3 3 4 4 5 5 10 7 8 21 14 9 15 6 7 5 7 19 22 86 43 9 18 8 8 7 4 7 6 4 5 4 3 4 4 6 6 15 12 11 9 3 5 5 4 3 3 3 3 3 3 4 7 17 7 6 5 5 9 9 7 7 9 26 17 3 12 6 6 3 8 8 5 4 6 17 15 15 9 5 12 25 13 24 59 20 25 6 6 6 10 6 15 4 3 4 16 71 21 5 0 2 16 11 2 5 4 3 2 3 4 3 2 3 4 3 3 3 4 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 3 4 4 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 4 4 4 3 4 5 6 6 4 5 6 8 8 13 14 22 26 100 29 13 11 7 4 3 4 6 20 27 11 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2; 1HNMR: 78 78 d 1H J 6 | 74 74 m 5H | 74 73 m 1H | 73 72 m 1H | 38 38 s 2H | 36 36 s 3H | 23 23 d 6H J 20
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cncc(C2=C(c3c(F)cc(F)cc3F)C(=O)OC2(O)c2ccccc2F)c1
ir: 1 4 3 2 1 2 14 3 4 6 6 3 4 4 5 4 6 3 3 4 4 3 2 1 2 2 2 4 1 4 7 3 2 4 6 2 3 5 2 3 3 28 18 11 3 4 3 1 1 2 1 0 1 2 1 0 2 4 3 21 3 1 2 2 4 13 10 15 6 5 5 3 6 11 7 3 43 5 8 7 2 1 7 8 2 2 2 1 1 3 2 2 2 3 2 5 5 5 3 5 6 28 2 2 3 4 2 7 3 1 1 2 15 12 3 15 4 2 3 4 23 13 6 7 2 1 4 3 3 2 1 1 2 2 2 3 11 63 2 2 2 2 16 4 27 2 2 1 6 10 3 42 4 23 15 3 1 16 2 1 48 0 1 3 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 0 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 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 2 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 9 19 15 44 7 2 4 3 3 3 5 100 3 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 85 t 1H J 17 | 81 81 t 1H J 16 | 75 74 ddd 1H J 14 33 86 | 74 73 m 2H | 73 72 m 1H | 72 72 ddd 1H J 15 68 101 | 69 68 ddd 2H J 9 114 123 | 62 61 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=CC(C)C)c1ccccc1N
ir: 22 19 7 14 25 18 3 4 3 2 9 14 7 3 6 6 13 4 2 2 2 3 5 1 3 2 2 3 2 1 1 2 2 1 2 2 5 5 5 4 6 6 75 8 4 6 3 2 3 5 1 1 2 3 3 1 1 1 2 2 3 4 2 2 2 14 2 3 2 1 2 2 3 2 12 10 11 5 3 1 1 1 1 1 1 3 14 8 2 1 1 1 1 1 1 2 15 1 1 1 3 2 1 1 1 1 0 2 4 2 1 1 4 2 1 2 2 3 3 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 4 12 2 1 1 1 1 2 2 1 2 1 5 19 8 1 11 73 8 4 13 15 10 1 3 10 5 2 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 2 1 2 1 3 2 1 1 3 2 1 2 2 2 6 6 10 12 75 14 11 2 1 1 1 1 1 1 1 1 0 1 1 1 1 3 14 72 9 2 2 1 1 1 2 2 2 5 19 100 25 5 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H | 70 69 td 1H J 13 77 | 67 67 dd 1H J 14 78 | 55 54 ddq 1H J 11 24 61 | 45 45 s 2H | 29 28 dddd 1H J 10 53 73 119 | 20 20 t 3H J 13 | 10 10 dd 6H J 10 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CC2)c(CN)c(=O)[nH]1
ir: 1 1 1 0 0 0 1 0 0 0 0 1 1 5 1 1 0 4 1 0 0 1 1 0 1 2 1 0 0 1 1 0 0 1 1 3 1 2 1 3 2 3 1 0 0 1 1 0 14 8 1 1 1 1 1 0 0 1 1 0 1 4 2 0 1 1 1 0 5 1 3 9 9 2 1 2 2 1 1 1 1 1 2 0 1 1 1 1 1 1 0 1 1 1 0 0 1 2 1 0 1 1 0 0 1 0 0 1 1 3 0 1 1 1 0 1 1 1 0 4 1 1 1 2 2 1 1 3 2 3 3 5 17 3 0 1 1 2 2 1 1 1 2 1 1 0 0 1 2 1 1 1 1 0 0 1 1 2 2 1 7 2 2 2 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 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 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 2 2 1 1 1 1 1 1 0 1 1 1 1 5 7 4 2 3 4 4 3 6 100 9 4 6 2 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 95 s 1H | 59 58 p 1H J 13 | 40 39 m 2H | 39 39 m 2H | 29 28 pd 1H J 18 66 | 23 23 d 3H J 13 | 9 8 m 2H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc2cc(Oc3ccc(N)cc3F)c(-c3cnn(C(=O)OC(C)(C)C)c3)cc21
ir: 15 7 4 5 7 5 3 2 2 2 6 14 3 4 4 11 7 3 5 12 3 5 3 2 4 2 2 2 3 3 2 2 2 3 3 3 2 3 5 3 8 2 2 2 2 3 2 1 2 2 1 1 2 7 23 20 4 9 4 4 4 6 6 2 3 3 5 31 15 4 3 1 2 2 1 1 2 2 2 10 9 2 2 2 1 1 5 4 3 4 4 2 6 3 2 2 2 11 1 3 3 5 3 4 11 7 3 2 3 2 3 4 2 2 1 2 2 3 9 8 2 4 3 3 2 7 12 14 4 6 6 5 2 1 3 7 2 1 1 4 1 2 2 2 1 2 2 3 5 4 3 6 16 8 6 31 100 16 11 3 2 5 5 31 4 0 2 3 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 1 1 1 2 2 2 3 3 3 8 18 19 8 39 13 6 8 3 2 3 1 1 1 1 1 1 1 2 1 1 2 40 4 2 3 2 1 1 1 2 2 3 4 78 37 16 6 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 89 89 s 1H | 80 80 d 1H J 17 | 80 79 d 2H J 44 | 76 75 d 1H J 18 | 69 68 dd 1H J 47 82 | 68 67 dd 1H J 22 122 | 67 66 dd 1H J 22 82 | 44 44 s 2H | 38 38 s 3H | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1
ir: 1 1 1 5 1 1 2 2 2 6 5 13 1 1 1 1 0 1 2 1 0 1 1 1 4 2 1 0 2 5 3 14 3 4 4 2 2 2 1 5 4 10 5 4 4 10 15 27 10 5 3 0 12 3 3 2 3 5 8 12 6 2 1 7 3 18 5 4 4 7 3 8 5 2 4 1 3 4 2 2 2 10 3 14 8 6 2 0 27 1 2 1 3 9 4 1 2 1 1 3 3 6 6 6 10 12 6 19 5 5 4 6 4 3 1 3 5 2 1 3 1 1 2 6 3 4 3 8 4 2 2 1 1 1 2 2 3 2 1 1 1 1 1 2 4 5 33 15 17 3 2 1 1 1 4 2 1 0 1 1 2 3 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 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 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 1 6 4 8 21 7 4 3 3 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 3 2 100 9 5 5 13 8 4 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 91 91 s 1H | 77 77 m 2H | 75 74 m 4H | 73 73 m 2H | 72 71 m 1H | 65 64 d 1H J 102 | 45 44 m 1H | 41 40 dq 1H J 71 103 | 36 35 m 2H | 24 24 d 3H J 10 | 24 23 m 1H | 20 19 ddddd 2H J 10 25 38 73 111 | 19 18 m 1H | 13 13 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)OCc2ccccc2)C1
ir: 8 6 6 5 17 19 5 13 3 5 9 12 17 3 5 7 7 19 6 7 8 11 12 21 16 7 15 52 48 26 8 32 13 8 5 3 6 7 10 9 38 4 5 1 2 4 1 2 1 1 1 1 1 0 1 1 1 1 2 1 2 4 2 5 2 20 6 8 8 3 1 1 2 4 3 4 5 1 5 1 1 1 1 1 1 1 1 2 11 7 5 6 13 14 21 42 20 11 7 3 10 7 7 4 7 17 33 17 23 4 4 1 3 3 5 19 6 5 3 5 1 2 11 18 8 7 6 10 3 4 10 11 13 51 4 13 5 3 3 1 2 2 12 9 20 100 37 4 4 25 16 32 4 1 1 1 1 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 1 0 1 2 2 3 1 1 2 6 2 3 2 1 3 6 6 12 20 10 13 56 33 6 9 54 83 17 8 2 1 0 1 1 1 0 1 1 0 0 1 1 1 1 20 45 10 4 4 6 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 51 51 s 2H | 49 48 m 1H | 42 41 m 2H | 39 38 m 3H | 36 35 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@H](O)CC(N)Cc1ccc(-c2ccccc2)cc1
ir: 4 1 2 3 2 3 8 8 11 8 7 6 4 7 3 4 2 2 1 1 3 1 1 4 6 2 1 0 2 5 3 5 4 1 5 1 2 1 2 2 6 13 13 1 1 3 4 1 6 3 2 2 3 4 6 34 42 25 12 36 72 43 20 11 14 0 3 2 2 8 14 3 2 7 8 16 42 9 9 7 1 3 9 5 7 12 21 52 38 26 10 4 4 1 2 1 2 1 2 4 7 5 2 1 1 1 1 3 3 2 4 4 4 4 2 2 3 11 7 13 12 4 5 10 7 6 2 5 4 9 15 16 9 8 9 19 77 53 34 4 10 24 10 2 5 22 10 6 6 3 2 9 5 7 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 1 1 0 1 1 1 1 1 1 1 3 1 1 1 2 3 4 5 6 16 6 39 35 35 8 6 9 4 4 29 100 8 2 2 4 34 13 42 7 4 2 3 3 25 17 56 3 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 4H | 75 74 m 2H | 74 73 m 1H | 72 72 dt 2H J 10 85 | 43 42 td 1H J 64 79 | 42 41 m 2H | 39 39 d 1H J 64 | 33 32 m 1H | 30 29 m 3H | 27 27 ddt 1H J 9 60 145 | 23 22 ddd 1H J 73 81 153 | 21 20 m 1H | 11 10 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1(CC)CN(c2ccccc2)c2cc(Br)c(OCC(=O)O)cc2S(=O)(=O)C1
ir: 1 4 8 3 4 4 6 10 9 3 4 11 11 7 22 10 1 12 8 15 100 30 36 9 6 3 2 1 1 4 2 2 7 2 2 3 3 8 3 11 5 5 4 4 26 6 2 1 6 11 3 2 1 1 1 0 1 11 1 1 1 1 1 4 2 38 3 10 17 16 2 4 29 9 7 10 16 30 53 24 13 19 6 13 14 8 10 10 5 5 8 4 1 3 2 1 2 4 1 4 3 3 4 4 2 2 2 4 4 3 7 4 2 4 2 4 3 3 4 8 5 3 2 3 3 5 5 4 2 7 5 2 2 5 2 23 0 2 2 9 3 6 8 19 15 4 8 3 2 1 1 1 7 9 7 2 1 1 1 1 1 2 15 1 0 1 1 0 0 0 1 1 1 0 1 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 0 1 2 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 4 3 6 3 2 4 5 4 15 9 11 38 24 8 4 3 3 2 1 2 10 86 49 2 2 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 s 1H | 73 73 s 1H | 73 72 m 2H | 71 70 ddt 1H J 13 73 90 | 70 69 m 2H | 47 46 s 2H | 41 40 d 1H J 121 | 38 38 d 1H J 121 | 36 35 d 1H J 146 | 34 33 d 1H J 148 | 17 16 dq 1H J 71 128 | 15 12 m 8H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCCN1C(=O)CSC1CCC1(OC(C)=O)CCCCC1
ir: 5 9 10 2 3 5 6 4 5 7 11 8 3 10 8 4 5 5 4 8 9 18 27 37 6 4 3 1 2 2 2 2 1 2 4 3 3 2 3 5 9 11 10 6 3 7 3 4 6 14 27 13 4 6 6 9 7 4 2 2 6 9 10 10 8 8 17 16 7 4 3 3 3 2 6 6 3 3 1 1 2 1 4 6 12 9 2 2 2 2 2 2 3 3 2 3 6 7 10 14 13 11 9 3 14 6 5 9 22 25 26 14 8 14 6 17 18 28 22 20 37 28 25 64 84 43 27 21 8 15 8 7 12 6 6 8 4 7 8 8 3 5 19 39 52 22 9 75 100 5 0 3 3 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 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 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 1 4 7 10 8 15 16 14 7 9 9 10 15 12 37 55 22 11 0 5 5 2 3 2 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 49 49 t 1H J 44 | 37 35 m 4H | 35 34 m 2H | 23 22 t 2H J 85 | 21 20 s 2H | 20 19 m 1H | 18 17 m 3H | 18 17 m 1H | 17 16 m 1H | 17 16 m 2H | 16 15 m 4H | 16 15 m 6H | 14 13 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(c2nc3ccc(C#N)cc3n3nnnc23)CC1
ir: 3 3 5 5 3 4 9 4 2 6 4 3 3 7 4 3 4 6 5 3 2 7 44 32 7 6 5 5 4 28 2 6 4 14 5 5 7 8 4 2 10 21 8 5 15 5 3 3 4 8 3 3 3 3 22 48 33 10 6 3 3 5 4 5 8 10 5 10 9 11 3 3 4 3 4 7 5 9 6 11 57 9 6 40 27 13 6 6 6 4 10 3 5 3 2 3 7 18 6 7 11 4 6 2 10 6 3 3 3 3 2 29 12 7 4 4 5 3 4 4 10 6 3 4 8 9 2 4 8 5 3 7 9 3 2 7 11 3 2 3 3 2 2 3 3 3 2 4 8 3 40 25 8 5 57 2 4 15 13 2 3 4 3 48 4 0 2 4 2 1 2 3 2 2 3 3 2 2 2 3 2 3 23 5 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 4 3 3 3 2 3 3 3 4 15 7 4 100 23 13 4 3 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 84 84 d 1H J 21 | 81 81 d 1H J 77 | 79 79 dd 1H J 22 77 | 37 37 m 4H | 29 29 s 2H | 26 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC1NC(=O)C(C)=C(C)N1Cc1ccc(-c2ccccc2C(=O)O)cc1
ir: 3 2 3 1 0 2 4 2 1 2 4 3 3 6 5 7 10 6 6 9 15 6 34 53 4 12 6 2 2 3 3 2 2 3 6 2 1 5 3 2 3 11 24 31 2 4 3 2 2 4 3 5 3 6 3 6 7 14 5 0 2 3 2 1 2 2 2 1 4 4 3 7 3 7 23 9 6 5 11 25 8 3 3 3 5 8 8 6 14 3 2 3 2 2 1 2 5 3 2 1 2 2 0 1 2 2 2 2 3 4 3 6 3 4 1 3 4 5 9 5 5 5 5 7 6 3 9 11 3 6 37 2 3 3 2 10 9 2 4 3 33 10 4 10 16 17 14 10 9 5 2 3 4 1 1 4 2 1 2 40 5 2 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 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 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 3 3 1 2 2 3 1 2 3 4 5 11 14 8 19 7 5 3 2 3 4 7 3 14 100 9 2 5 3 2 1 2 2 2 1 4 10 6 3 11 9 5 2 3 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 79 dd 1H J 15 81 | 78 77 ddd 1H J 16 76 89 | 76 75 m 2H | 74 74 m 2H | 73 73 dt 2H J 9 85 | 50 50 d 1H J 77 | 49 48 m 2H | 46 46 dt 1H J 9 127 | 22 22 q 3H J 11 | 19 18 dtd 1H J 53 83 134 | 18 17 q 3H J 11 | 16 15 m 1H | 15 13 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1CCCN(CCOC=C(c2sccc2C)c2sccc2C)C1
ir: 8 8 9 8 9 10 10 7 3 21 24 6 5 9 7 18 17 6 6 2 1 7 6 7 1 4 5 2 2 4 14 9 5 9 5 1 2 5 5 2 5 7 26 32 24 19 8 4 6 11 5 9 11 13 10 4 8 10 8 2 6 7 8 7 10 8 8 15 20 15 14 15 15 17 25 16 8 7 2 2 33 43 36 30 8 22 11 9 14 13 28 2 8 5 4 6 14 7 25 12 23 16 14 7 11 19 8 22 5 15 9 43 48 12 9 13 16 12 9 13 12 5 0 12 29 15 4 7 14 13 5 15 60 38 9 7 9 4 1 8 8 2 4 32 43 34 16 2 4 6 6 33 9 4 4 3 4 3 3 3 3 3 3 3 3 2 3 4 3 2 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 7 4 3 3 5 6 8 6 9 5 6 7 10 9 31 63 11 20 36 14 41 100 17 8 7 3 2 4 5 3 2 4 4 3 2 3 4 2 2 3 4 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 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4; 1HNMR: 73 72 d 2H J 60 | 69 68 dt 2H J 7 60 | 68 68 t 1H J 9 | 42 41 m 4H | 30 29 m 3H | 28 27 dd 1H J 66 115 | 27 26 m 3H | 24 24 d 6H J 7 | 19 18 dddd 1H J 55 63 91 130 | 18 17 ddtd 1H J 38 63 91 128 | 17 15 m 2H | 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.
N#Cc1ccc(CN2CCC(CC(=O)O)CC2=O)cc1N=C(c1ccccc1)c1ccccc1
ir: 17 8 18 38 71 18 37 8 17 14 38 18 8 21 8 25 27 31 22 5 19 33 17 20 16 33 15 10 11 5 10 8 7 57 22 10 7 9 10 17 35 26 50 26 10 8 7 7 10 7 18 12 8 1 5 13 42 6 5 4 3 2 3 3 3 4 8 9 17 12 9 7 4 8 9 23 7 26 25 25 26 19 24 9 11 17 10 4 3 4 3 3 3 4 13 14 7 3 6 4 5 4 5 8 5 11 11 20 13 8 3 4 9 4 4 7 7 13 11 13 20 14 16 17 11 9 23 10 3 7 2 4 4 16 37 11 10 27 36 24 15 75 15 37 16 16 5 12 8 100 21 2 3 9 6 1 2 3 2 0 3 7 2 0 1 2 2 0 1 3 2 0 2 3 1 1 2 2 1 1 2 3 23 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 2 2 3 2 2 2 1 1 2 2 1 1 2 2 2 1 2 2 2 2 3 2 1 2 3 4 3 8 9 4 3 5 4 8 5 14 9 20 12 24 58 31 18 12 6 6 10 13 16 52 32 16 13 9 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 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 77 76 m 3H | 74 74 m 4H | 74 73 m 2H | 73 72 m 2H | 71 71 m 2H | 46 46 d 2H J 12 | 36 35 ddd 1H J 59 85 123 | 35 34 ddd 1H J 59 86 123 | 27 26 m 1H | 25 24 m 3H | 23 22 m 1H | 21 20 ddt 1H J 57 85 127 | 19 18 ddt 1H J 57 85 127
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C
ir: 2 7 3 2 2 1 1 5 1 1 3 1 2 1 2 1 1 0 1 1 1 2 1 1 1 10 4 1 5 2 6 9 3 9 6 2 2 3 1 1 0 1 0 0 1 1 1 1 1 1 0 0 0 1 0 1 1 0 0 1 0 0 0 1 1 3 0 1 1 0 1 0 0 0 1 0 1 0 1 0 0 1 1 1 1 2 9 19 8 9 3 1 2 1 1 1 1 1 3 1 1 1 0 0 1 2 5 3 2 2 1 3 2 2 3 2 2 2 2 4 3 3 1 1 2 1 0 1 3 4 2 2 1 0 0 1 1 1 0 1 1 1 1 1 18 14 6 1 4 38 3 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 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 9 2 1 1 1 0 1 1 1 0 4 100 4 2 0 0 1 0 0 0 0 0 0 0 1 1 2 4 18 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; 1HNMR: 56 56 d 1H J 84 | 43 43 dd 1H J 52 81 | 41 40 tt 1H J 73 82 | 37 37 s 2H | 35 35 d 1H J 53 | 18 16 m 2H | 16 13 m 9H | 14 14 s 10H | 12 11 ddt 2H J 58 86 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Nc2cnccn2)nc1N[C@@H](C)c1ccc(F)cc1
ir: 2 2 1 4 3 6 7 5 6 2 5 4 6 8 3 7 2 5 7 9 9 19 4 18 11 13 14 25 7 5 3 3 1 3 3 1 2 2 7 5 14 30 55 9 7 3 5 8 5 2 3 2 3 13 23 8 15 2 2 0 1 1 1 1 6 6 3 7 3 2 1 10 2 2 1 7 2 3 5 4 6 6 7 1 0 1 1 2 1 1 1 1 2 2 1 1 4 2 3 3 3 3 1 0 0 1 5 5 2 4 7 12 1 3 2 13 1 2 3 4 2 2 2 2 2 3 13 4 2 3 2 4 7 4 2 0 2 6 7 12 18 7 8 8 54 9 100 9 6 2 3 9 14 5 7 4 39 8 1 4 3 17 50 5 3 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 1 0 0 0 0 0 0 0 1 1 1 2 2 4 6 5 24 18 17 11 3 0 1 2 1 1 2 1 1 0 1 0 1 0 1 3 3 2 10 13 18 25 64 72 24 9 2 7 2 1 1 1 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 84 83 m 2H | 83 83 dd 1H J 15 33 | 82 81 d 1H J 33 | 73 73 d 1H J 77 | 73 72 m 2H | 72 71 d 1H J 81 | 71 71 m 2H | 48 48 m 1H | 39 39 s 2H | 16 16 d 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1cc2c(=O)n3cc(C(N)=O)ccc3nc2s1
ir: 1 2 2 1 1 1 1 2 1 1 3 4 5 15 10 5 2 3 2 1 7 10 5 2 1 1 1 1 1 2 2 3 4 2 2 1 2 3 0 3 3 7 85 9 1 3 2 0 1 5 23 4 1 1 1 1 1 2 1 1 2 3 4 1 2 3 2 0 2 1 2 3 6 2 2 2 4 2 1 1 2 1 1 1 1 1 1 4 1 3 1 1 2 2 0 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 0 1 2 5 12 3 1 1 2 2 1 4 4 5 5 1 3 5 1 1 1 1 2 4 7 2 1 2 1 1 1 1 1 1 1 2 4 63 11 4 1 1 1 1 1 28 8 14 14 39 4 0 1 2 1 1 2 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 3 2 2 2 5 19 18 5 3 3 2 1 0 1 1 1 0 1 1 1 0 2 16 2 1 1 1 0 1 1 1 1 1 1 10 100 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 d 1H J 14 | 77 76 dd 1H J 14 92 | 76 75 d 1H J 92 | 72 72 t 1H J 9 | 70 70 s 2H | 29 28 td 2H J 8 73 | 17 16 tt 2H J 61 73 | 14 13 qt 2H J 61 73 | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCc1c[nH]c2c1CCC(C)(C)C2
ir: 9 14 6 4 3 4 3 2 6 4 6 7 4 2 2 5 10 18 12 3 2 1 1 3 4 4 2 1 1 1 1 1 3 4 3 1 2 2 4 3 10 17 47 89 38 3 2 3 5 8 9 9 7 5 2 1 1 2 4 2 2 4 7 6 15 14 10 17 11 7 19 7 2 1 2 5 5 10 8 6 9 7 7 5 4 6 16 28 17 5 12 18 34 9 7 4 6 4 6 8 14 7 29 21 8 23 4 8 3 3 4 5 8 6 12 7 5 5 9 8 3 6 6 7 3 9 9 14 9 7 5 10 5 5 4 5 6 7 3 2 2 4 18 25 16 5 4 2 2 4 7 21 16 24 7 3 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 3 3 3 10 7 5 2 3 2 5 7 9 21 13 3 1 5 13 26 30 13 3 2 2 1 0 1 2 1 1 1 1 1 0 1 2 2 2 4 5 83 100 56 20 17 7 3 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 d 1H J 66 | 63 62 dt 1H J 9 65 | 28 28 m 2H | 28 27 td 2H J 9 77 | 27 26 s 2H | 26 26 t 2H J 61 | 23 23 s 5H | 20 19 tt 2H J 62 76 | 17 17 m 2H | 11 10 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(CCNc2ccc(Br)cc2F)CCCCC1
ir: 17 4 7 6 4 15 13 15 9 23 24 65 16 11 7 2 4 6 13 3 4 7 6 7 11 12 6 4 2 3 3 3 2 5 3 6 7 4 3 9 8 3 2 3 1 1 1 1 1 2 2 1 4 28 40 10 3 1 2 4 2 1 2 1 1 5 9 29 6 3 3 5 4 3 2 3 4 2 3 10 10 2 18 3 13 7 2 2 3 2 1 1 1 2 2 8 16 10 8 6 8 8 8 3 3 3 1 1 2 3 5 7 23 10 23 20 41 17 11 16 4 4 33 5 6 8 3 7 9 10 12 16 10 11 15 9 15 9 8 3 2 2 3 8 20 68 10 100 59 9 5 65 89 4 3 1 1 1 1 1 1 17 2 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 2 1 1 1 1 2 2 4 5 2 6 6 4 2 4 3 3 27 13 10 56 21 9 8 2 2 1 2 2 1 1 2 2 1 2 3 4 5 2 6 10 10 14 31 70 94 36 43 19 6 4 1 2 2 2 2 1 2 3 2 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 68 67 dd 1H J 48 78 | 53 53 td 1H J 36 44 | 37 36 s 2H | 33 33 td 2H J 45 56 | 20 19 m 4H | 17 16 m 4H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC[C@H](O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
ir: 3 6 4 3 3 4 5 12 12 4 1 4 5 10 4 3 4 6 4 4 2 3 4 4 2 2 4 10 21 11 11 10 16 5 15 3 8 5 9 2 20 14 23 11 5 2 1 3 1 0 1 1 1 0 0 1 1 0 3 2 2 1 1 1 1 1 3 3 3 5 4 4 7 5 3 3 1 1 3 4 3 4 1 2 1 2 4 16 6 6 7 9 9 5 32 16 24 12 3 8 3 2 1 2 3 2 2 1 2 2 3 2 3 9 2 1 2 1 1 2 2 4 4 2 1 2 1 8 4 2 1 6 3 2 1 5 2 9 8 2 2 8 26 33 13 27 15 5 2 9 1 6 7 12 7 0 1 2 1 1 3 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 1 1 1 1 1 1 0 0 0 0 1 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 1 1 0 1 1 1 2 2 4 3 1 2 2 2 3 1 5 9 5 12 31 47 14 11 56 100 24 14 10 4 3 3 3 1 1 1 1 0 1 1 3 11 17 4 7 9 3 1 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; 1HNMR: 74 73 m 8H | 73 72 td 1H J 18 77 | 70 70 m 1H | 68 67 t 1H J 73 | 53 52 s 2H | 45 45 ddd 1H J 50 70 81 | 44 44 d 1H J 53 | 42 41 ddtd 1H J 18 46 53 80 | 35 34 ddd 1H J 46 73 130 | 33 31 m 2H | 29 29 dddd 1H J 9 18 70 141 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)O)cc1-c1cccc(C2COC2)c1
ir: 1 1 1 1 1 1 1 2 2 6 2 3 5 8 4 6 12 5 5 8 16 100 88 50 17 5 3 2 4 4 3 1 5 2 2 1 2 4 1 1 1 1 0 1 1 3 6 15 32 6 2 5 9 16 13 2 3 2 1 2 1 1 2 4 3 2 1 3 5 8 9 7 3 4 14 10 8 10 7 31 27 5 1 3 1 2 2 7 9 10 4 5 3 4 2 3 1 2 2 1 2 3 2 0 1 0 0 2 1 1 1 0 1 1 2 7 38 25 3 3 2 3 2 5 8 7 3 2 1 0 1 1 1 1 1 2 3 11 6 22 12 2 1 7 14 75 15 2 3 8 9 5 3 0 1 2 3 1 1 1 1 0 0 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 2 4 7 8 33 50 32 8 3 2 0 1 1 1 5 9 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 d 1H J 15 | 79 79 dd 1H J 15 83 | 75 74 m 1H | 74 74 dt 1H J 18 77 | 74 74 m 1H | 73 72 m 1H | 70 70 d 1H J 84 | 40 40 dd 2H J 39 102 | 39 39 s 3H | 39 39 m 1H | 38 37 dd 2H J 39 102
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@@H]1CN(OCc2ccccc2)C1=O
ir: 17 10 4 9 12 7 4 10 25 7 4 8 13 6 2 8 11 9 7 11 14 12 31 21 13 13 11 17 13 11 18 53 48 28 12 27 26 25 32 53 95 27 42 22 14 6 15 15 12 2 7 16 20 8 8 24 8 2 26 29 14 8 16 36 11 11 20 23 17 21 12 16 11 14 38 15 9 7 17 19 6 4 9 9 6 4 11 14 21 64 16 31 20 39 37 14 3 17 18 10 3 7 11 8 3 10 22 44 24 20 27 14 13 13 10 9 13 16 30 29 22 20 22 10 8 15 35 10 6 9 13 24 16 14 19 15 22 12 11 9 8 21 64 25 28 10 11 14 15 93 22 58 12 17 16 1 4 13 8 0 5 12 8 0 5 13 7 1 6 12 6 0 6 12 6 0 7 11 5 1 7 11 5 1 7 10 4 2 8 10 4 2 8 9 4 3 8 9 3 3 8 8 3 4 9 8 3 4 10 8 2 5 10 7 2 5 10 7 2 5 11 7 1 6 11 6 1 6 11 6 1 6 10 6 1 7 10 5 2 7 10 5 2 7 9 4 2 8 9 4 3 8 9 4 4 8 9 4 4 9 8 3 4 9 8 3 5 10 8 3 7 12 12 8 13 11 15 16 11 18 23 12 24 33 30 33 88 88 100 58 16 9 13 5 12 10 7 3 7 9 5 3 7 9 5 3 7 9 4 4 8 8 4 4 8 8 4 4 8 7 3 4 8 7 3 5 9 7 3 5 9 7 3 5 9 6 2 5 10 6 2 6 10 6 2 6 9 6 2 6 9 5 3 7 9 5 3 7 9 5 3 7 8 4 4 7 8 4 4 8 8 4 4 8 7 4 4 8 7 4 5 8 7 3 5 9 7 3 5 9 6 3 5 9 6 3 6 9 6 2; 1HNMR: 74 73 dddt 2H J 10 25 33 45 | 73 73 m 3H | 48 48 m 2H | 39 38 dd 1H J 60 108 | 36 36 dd 1H J 58 107 | 30 29 tt 1H J 58 75 | 18 17 dtd 1H J 75 88 132 | 16 12 m 6H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1
ir: 1 1 1 1 2 1 2 1 1 1 2 3 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 17 0 1 2 2 2 4 2 2 3 2 1 1 1 1 1 1 2 1 2 3 2 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 2 4 2 1 1 1 1 2 1 1 1 3 5 1 3 2 2 3 3 2 4 2 1 2 2 2 1 1 2 3 1 2 2 1 9 3 1 1 3 2 2 1 1 1 1 1 1 2 4 29 3 3 8 4 2 2 100 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 6 2 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 s 1H | 82 82 s 1H | 71 70 d 1H J 88 | 70 69 d 1H J 21 | 68 68 dd 1H J 21 89 | 47 46 p 1H J 38 | 39 38 ddd 2H J 55 82 117 | 38 38 s 3H | 37 36 ddd 2H J 53 81 115 | 23 22 dddd 2H J 38 53 80 135 | 21 20 dddd 2H J 37 53 81 134 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)N1CCC(Sc2ccc3c(c2)-c2nc(-c4ccccn4)cn2CCO3)CC1
ir: 12 5 2 11 16 5 1 6 15 2 3 2 27 6 2 10 8 3 4 2 0 2 8 5 2 2 4 2 2 1 1 1 3 6 5 4 5 7 9 45 5 5 29 2 1 1 9 0 1 2 13 3 7 10 86 13 8 6 3 2 2 5 5 9 9 12 6 6 13 8 12 1 2 2 1 0 2 4 17 7 5 4 5 6 17 4 4 2 1 1 2 1 4 21 1 2 2 4 9 6 7 19 9 14 12 9 10 18 18 5 2 2 2 3 1 5 4 2 7 4 8 7 4 6 8 7 13 11 4 17 4 19 8 9 73 15 20 7 27 2 2 2 6 10 5 5 46 12 7 8 19 100 10 17 92 10 2 2 2 1 9 4 1 2 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 0 1 3 4 2 5 3 1 4 3 3 3 2 5 7 11 40 23 7 35 63 10 28 13 6 2 1 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 dd 1H J 16 40 | 81 80 dd 1H J 13 83 | 78 77 m 2H | 76 75 t 1H J 9 | 73 73 ddd 1H J 13 40 71 | 73 72 dd 1H J 21 78 | 69 69 d 1H J 78 | 43 43 t 2H J 45 | 42 42 td 2H J 9 44 | 33 32 p 1H J 35 | 30 29 ddd 2H J 38 66 121 | 27 26 ddd 2H J 39 66 121 | 21 20 ddt 2H J 38 68 117 | 18 17 ddt 2H J 37 66 115 | 11 11 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(CN2C(=O)c3ccccc3C2=O)n1
ir: 3 3 3 3 2 6 6 4 3 5 4 3 3 4 5 4 6 4 2 2 3 1 4 6 4 5 2 2 2 1 1 6 12 8 6 10 6 8 10 25 25 11 5 4 6 12 19 15 7 7 3 3 3 2 1 2 2 7 3 3 2 4 2 1 2 1 2 1 0 2 4 1 0 1 1 4 1 1 2 7 10 12 1 3 1 1 0 0 1 0 1 2 2 1 1 0 1 0 0 0 1 2 1 1 1 0 0 0 0 1 0 1 0 1 1 0 1 3 4 15 22 17 2 2 2 2 2 1 6 13 6 5 17 8 39 10 5 3 22 6 2 1 1 3 4 6 4 7 17 35 61 5 7 13 92 18 36 43 6 8 3 2 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 1 1 2 0 0 0 1 1 0 0 1 1 2 3 5 15 32 4 1 1 1 1 0 1 1 0 1 2 1 0 2 3 4 7 18 1 0 0 1 1 1 1 1 1 1 8 100 4 1 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; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 74 74 dd 1H J 70 77 | 70 70 dq 1H J 10 71 | 65 65 dd 1H J 13 77 | 51 51 s 2H | 49 49 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1O
ir: 6 6 3 3 2 1 1 2 1 2 2 1 1 3 2 5 2 1 1 2 2 1 1 2 2 2 1 1 1 1 1 1 1 1 2 14 2 1 1 1 1 1 1 1 1 2 3 1 1 1 1 2 2 3 7 4 2 1 1 1 1 2 5 2 3 4 4 2 3 1 2 5 3 2 1 3 3 2 4 1 1 1 4 23 7 2 1 6 11 20 9 5 2 3 23 60 3 7 41 2 1 2 3 5 3 1 1 1 1 2 1 2 2 3 2 1 5 3 1 1 3 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 12 8 2 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 1 2 2 1 1 1 2 1 1 2 2 2 4 2 4 12 6 14 5 2 0 4 19 7 100 19 5 5 5 1 0 2 2 1 0 2 2 0 0 2 1 1 1 1 2 1 1 2 1 2 1 2 2 1 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 72 72 s 2H | 55 55 s 1H | 36 36 hept 1H J 33 | 21 21 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c2ccc(Br)cc2c1
ir: 3 2 1 1 3 4 3 2 1 1 0 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 2 13 100 15 5 2 2 1 1 2 5 11 13 7 3 4 4 9 35 13 2 2 2 1 0 1 1 1 0 1 1 1 2 5 1 1 3 5 1 0 1 1 1 0 0 1 1 0 1 1 1 5 7 4 3 1 6 6 2 1 1 3 1 0 2 2 8 3 1 1 1 0 1 1 1 0 1 6 2 1 3 2 1 0 1 1 0 0 1 1 0 0 1 3 6 1 6 9 1 0 1 1 0 4 9 3 29 13 2 1 1 1 1 1 4 4 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 3 5 6 9 6 15 97 48 5 3 2 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 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 80 80 t 1H J 22 | 79 79 d 1H J 81 | 76 75 dd 1H J 22 82 | 72 71 t 1H J 21 | 69 68 dd 1H J 12 19 | 39 38 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)NC(C)(C)C=C2C
ir: 0 4 1 2 3 2 2 2 4 3 1 2 6 3 1 1 4 4 5 3 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 1 2 1 1 1 2 1 2 2 6 11 29 4 2 2 3 3 3 8 4 3 2 3 9 4 6 3 2 0 3 2 2 2 3 2 2 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 11 9 6 2 2 3 5 5 3 5 3 2 2 3 3 6 2 1 1 2 3 2 2 2 3 2 2 2 3 3 15 3 3 1 1 2 2 1 1 3 3 18 15 12 2 2 1 2 3 2 3 5 15 5 2 1 5 7 3 5 10 2 2 1 1 17 2 5 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 2 2 1 2 2 2 2 2 2 5 7 4 11 23 6 4 2 1 2 1 2 2 2 2 2 2 2 1 1 2 2 1 3 3 4 5 11 25 100 8 2 5 2 2 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 73 72 d 1H J 79 | 67 67 dd 1H J 21 80 | 62 62 d 1H J 22 | 55 54 dq 1H J 9 20 | 42 41 s 1H | 38 38 s 3H | 20 20 d 3H J 10 | 13 13 d 6H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cnc5c(c4)C(C)(C)C(=O)N5C)cc3c21
ir: 2 2 5 4 8 5 3 2 8 9 0 2 3 12 3 2 6 6 13 7 2 8 6 2 1 4 3 1 1 3 4 3 2 17 5 6 55 29 12 60 2 2 3 2 3 5 4 4 2 3 2 1 4 3 10 27 12 13 25 8 3 1 3 5 2 3 12 9 7 15 10 14 4 2 4 3 2 8 5 9 2 2 4 9 7 2 7 3 4 8 7 5 0 4 7 7 91 4 1 1 3 39 2 2 2 1 1 2 5 2 6 18 20 6 3 7 6 5 13 21 36 11 6 6 15 9 12 4 9 3 2 4 8 17 5 66 8 9 9 5 20 3 2 23 3 4 3 5 58 100 7 4 3 9 69 35 18 24 3 22 6 2 6 3 2 1 2 3 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 5 3 2 1 1 1 1 3 4 4 4 5 4 7 15 8 27 24 37 5 23 36 6 2 3 3 2 2 2 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; 1HNMR: 89 89 s 1H | 88 87 d 1H J 25 | 85 84 d 1H J 18 | 84 83 d 1H J 81 | 79 79 dd 1H J 24 81 | 78 77 d 1H J 16 | 74 73 s 1H | 38 38 s 4H | 36 36 s 3H | 35 35 s 3H | 22 22 s 3H | 16 16 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H](O)C(=O)N[C@@H]1CC[C@@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1
ir: 0 7 13 10 5 10 8 8 5 14 12 6 5 6 7 6 7 14 10 11 9 10 10 14 10 12 11 14 14 23 27 29 27 11 15 38 21 20 9 10 9 13 16 9 7 20 13 24 45 12 8 4 11 11 10 5 11 12 7 7 11 13 8 10 20 10 8 7 17 12 6 4 9 10 6 7 15 9 16 6 43 30 16 8 39 15 7 20 21 34 60 16 9 10 7 12 10 8 8 8 23 21 19 11 11 12 12 10 14 12 12 15 10 9 7 6 8 8 16 11 20 15 15 13 8 6 6 7 19 9 6 7 7 6 5 6 10 8 9 9 16 18 8 10 14 29 54 41 17 7 7 7 6 4 5 7 7 14 7 20 7 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 6 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 4 4 5 6 7 6 8 7 5 5 6 5 5 5 5 6 5 5 6 6 4 5 6 7 6 7 7 11 6 7 7 8 9 13 9 12 8 31 15 13 18 19 16 8 8 8 15 78 100 15 12 6 5 6 9 5 4 7 7 6 10 10 23 39 11 39 17 12 8 7 6 5 6 6 6 5 5 6 5 4 5 6 5 4 5 6 5 5 5 6 7 5 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 70 69 dd 1H J 75 82 | 67 67 dd 1H J 13 75 | 67 66 dd 1H J 13 82 | 63 62 d 1H J 95 | 59 59 d 1H J 15 | 59 58 d 1H J 14 | 45 45 d 1H J 59 | 39 38 dddd 1H J 15 29 59 88 | 37 36 m 1H | 30 30 m 4H | 28 27 m 4H | 27 26 m 1H | 26 25 m 1H | 22 20 m 1H J 70 | 18 17 dddd 2H J 33 57 88 134 | 16 14 m 7H | 14 12 m 3H | 10 9 ddd 6H J 15 70 92
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
ir: 3 6 8 3 4 5 4 2 2 2 2 2 1 3 2 2 2 1 1 1 2 1 2 5 2 2 2 1 1 2 2 1 1 3 14 5 5 6 3 11 17 14 17 4 3 4 6 3 2 2 1 1 1 1 1 2 2 1 1 1 3 2 5 2 5 3 2 2 2 3 7 15 8 5 2 4 4 2 1 1 3 1 1 2 1 1 1 1 1 5 1 1 2 2 2 3 2 9 2 3 7 3 5 19 21 16 27 5 5 7 7 5 2 5 9 9 3 15 19 16 58 20 28 23 18 4 2 3 1 4 3 4 1 2 2 1 0 2 2 1 1 2 2 1 2 3 9 15 5 7 13 100 4 0 1 2 1 0 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 9 6 7 12 20 18 8 9 9 2 5 6 11 9 20 36 14 9 6 15 26 6 3 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 75 75 d 1H J 9 | 40 40 d 3H J 7 | 38 37 t 2H J 65 | 35 35 s 2H | 17 16 p 2H J 66 | 14 13 m 2H | 13 12 m 3H | 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.
COC(=O)/C=C/C(=O)OCC(=O)NCC(=O)OC(C)(C)C
ir: 2 1 0 1 1 1 1 1 1 4 5 6 11 5 1 2 1 1 1 1 1 1 1 1 2 3 2 5 4 2 3 5 6 5 12 5 4 2 2 1 1 0 0 1 1 0 1 0 1 1 1 1 1 1 1 2 2 1 1 0 1 1 2 1 2 1 1 2 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 1 2 8 2 0 0 0 0 0 0 0 0 1 1 1 1 0 2 0 0 0 1 2 8 4 1 1 1 0 1 1 1 0 2 2 1 3 3 3 2 4 13 6 6 5 3 3 3 32 7 2 1 1 1 2 1 1 1 7 31 7 28 100 9 2 8 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 2 1 1 0 1 4 1 3 5 12 4 4 6 2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 2 1 2 3 2 6 10 8 4 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 t 1H J 51 | 68 67 d 2H J 44 | 48 48 s 2H | 39 39 d 2H J 51 | 38 37 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCCC1(CC(CN)C(=O)O)CC1
ir: 1 1 3 2 1 1 4 5 5 6 4 4 10 4 8 4 0 8 12 15 2 100 90 36 11 9 1 2 4 1 0 1 1 1 1 3 5 4 2 1 3 0 3 1 2 1 1 4 2 3 1 3 5 3 4 1 3 1 3 1 3 26 38 3 8 25 7 17 4 6 22 20 8 6 5 12 12 34 13 25 7 12 3 7 2 3 6 17 4 4 1 2 1 2 3 2 2 2 2 2 4 2 3 2 1 2 5 4 6 6 3 2 1 4 5 2 2 3 9 8 6 7 9 8 3 7 3 20 6 3 3 3 3 5 24 50 10 9 3 7 12 3 2 43 5 1 2 6 1 1 2 1 2 1 1 1 1 0 1 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 1 2 1 1 2 2 6 2 2 2 2 9 7 3 4 11 6 1 0 2 2 4 10 6 4 1 0 66 11 8 8 5 26 34 22 15 7 3 3 1 26 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 36 35 t 2H J 59 | 31 30 dq 1H J 58 117 | 28 27 dq 1H J 58 115 | 25 24 tt 1H J 55 64 | 18 17 d 2H J 65 | 16 14 dtt 1H J 55 67 134 | 13 11 m 6H | 9 8 d 6H J 67 | 7 6 m 2H | 4 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](c1ccc(-c2ccnc(O)c2)cc1)N1CC[C@](CCCO)(c2ccccc2)OC1=O
ir: 1 3 1 7 2 2 6 7 10 9 3 7 3 6 12 4 1 3 8 17 4 6 9 2 1 3 6 1 1 3 6 10 6 31 3 4 4 4 27 8 6 10 2 1 3 3 2 1 1 3 3 1 1 1 2 6 27 3 3 2 2 4 8 3 5 6 15 42 18 45 23 15 6 8 7 6 4 1 4 5 1 2 3 7 4 6 6 14 17 40 12 7 11 8 4 2 2 4 2 2 1 1 1 1 1 1 2 1 1 2 1 6 11 5 3 3 9 5 3 3 5 3 1 2 4 11 56 12 7 3 4 3 1 2 10 32 9 14 3 1 1 2 4 4 3 8 14 2 2 14 88 12 5 4 3 1 1 2 7 3 2 1 1 0 16 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 2 2 3 2 2 2 1 2 2 3 5 5 9 11 19 100 52 11 5 3 5 4 4 21 8 52 3 1 2 1 1 1 1 1 0 1 1 1 0 0 1 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 80 80 d 1H J 49 | 76 76 m 2H | 74 73 m 8H | 71 70 tt 1H J 15 63 | 67 66 d 1H J 22 | 49 48 m 1H | 37 35 ddt 2H J 56 114 126 | 36 35 ddd 1H J 42 70 125 | 34 33 m 2H | 24 23 dt 1H J 80 148 | 23 22 ddd 1H J 42 69 137 | 21 20 m 2H | 19 18 dtt 1H J 58 82 139 | 18 17 dtt 1H J 58 79 138 | 15 14 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C(C#N)c1ccc(C(F)(F)F)cn1
ir: 18 16 29 11 19 12 11 11 14 12 14 8 9 10 10 9 11 17 15 14 18 12 9 7 8 8 8 8 10 10 8 13 9 10 48 26 36 23 17 11 10 9 7 8 7 8 8 8 8 8 8 15 31 75 25 10 10 8 8 8 9 15 14 8 8 11 38 11 11 8 10 17 21 10 7 7 8 7 7 7 7 8 8 8 7 8 8 9 16 26 17 9 9 8 9 11 9 16 37 51 19 11 7 11 11 10 7 7 9 9 8 11 50 44 20 19 14 15 18 14 13 24 12 18 20 27 17 14 15 18 19 19 10 8 8 13 37 16 16 13 18 10 13 29 75 30 41 11 13 18 86 18 11 10 10 9 7 11 9 2 100 0 8 11 8 5 7 9 7 6 7 8 7 6 7 8 7 6 8 21 9 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 6 6 7 7 7 6 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 8 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 9 9 9 8 9 7 7 8 10 10 9 15 11 14 30 40 17 35 32 45 19 9 8 8 8 9 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7; 1HNMR: 86 86 p 1H J 13 | 80 79 m 2H | 51 50 d 1H J 6 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccc(O)c(=O)cc1
ir: 8 1 3 2 2 9 20 8 2 5 9 9 42 44 24 33 28 14 3 8 9 5 17 29 5 3 5 7 19 14 3 6 2 1 1 3 2 2 5 6 3 3 10 7 6 15 31 17 4 3 2 3 6 2 1 3 9 14 9 27 36 38 95 35 13 6 4 6 6 6 17 12 6 5 7 4 5 4 5 4 4 5 4 3 1 2 2 12 6 3 3 2 3 15 53 13 6 22 35 10 1 1 4 3 2 3 10 21 17 19 3 3 1 1 3 1 0 1 2 2 1 1 4 5 3 8 2 2 3 10 10 2 1 2 2 1 0 1 4 3 3 3 3 3 10 44 49 15 47 43 15 6 5 5 5 10 5 4 2 2 2 0 3 31 31 3 2 0 2 3 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 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 2 1 0 0 1 1 0 0 1 1 1 0 1 1 1 2 3 2 1 1 2 3 1 1 2 2 1 3 12 3 2 3 8 59 68 22 47 12 14 33 41 12 7 3 3 1 2 2 3 1 2 4 3 5 4 51 56 100 18 2 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 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: 94 94 s 1H | 93 92 s 1H | 77 77 dt 1H J 12 103 | 75 74 dd 1H J 14 91 | 72 71 d 1H J 103 | 70 70 dd 1H J 10 91 | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
S=c1cc(-c2nc[nH]n2)oc2ccccc12
ir: 0 2 4 10 3 2 4 2 1 2 3 2 1 2 3 1 1 2 3 2 1 3 4 2 1 2 2 1 1 2 3 1 2 3 5 23 16 15 8 1 7 77 46 5 5 4 6 4 3 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 3 5 2 1 2 2 3 11 11 10 5 2 2 2 19 14 8 6 2 2 2 4 2 3 2 2 2 2 3 7 10 8 3 3 6 8 11 32 40 22 19 7 9 100 75 32 31 5 5 3 2 10 11 17 23 3 5 4 5 3 4 2 0 6 18 15 8 7 3 2 3 3 5 5 2 10 12 9 3 3 2 2 12 29 9 5 4 3 9 8 2 3 2 1 2 2 2 1 2 4 3 1 2 3 2 1 2 3 2 1 2 1 4 3 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 4 3 3 6 5 3 5 5 3 32 36 52 16 10 1 3 4 2 2 3 4 6 40 38 9 12 3 3 3 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 86 86 dd 1H J 15 81 | 84 84 d 1H J 27 | 77 76 td 1H J 15 70 | 76 76 m 2H | 74 74 ddd 1H J 13 68 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCC(NC2CC2)CC1
ir: 5 4 1 4 4 5 2 15 4 2 5 6 5 1 1 1 1 1 2 2 6 1 1 2 2 3 2 3 1 1 4 8 26 38 13 36 8 11 8 5 26 15 7 17 9 6 4 2 3 2 2 1 2 2 2 6 9 4 3 1 2 2 1 1 6 2 1 3 1 2 2 2 8 3 4 5 4 11 1 1 1 1 1 1 1 4 5 1 1 1 0 1 2 4 4 2 5 11 5 9 4 1 1 3 4 12 12 51 14 4 4 10 20 4 9 6 7 10 47 32 20 15 4 42 21 8 3 4 5 4 7 4 6 3 2 3 18 5 7 2 3 2 3 5 38 7 8 3 6 3 3 3 3 1 1 1 1 1 1 1 5 3 2 0 1 1 1 1 1 1 1 1 0 0 0 0 1 1 0 0 0 1 1 1 0 1 1 1 0 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 1 1 0 0 1 1 1 0 0 0 1 0 1 1 1 0 0 1 0 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 2 4 2 2 1 5 3 3 3 2 2 4 23 8 7 37 9 4 2 3 3 4 9 2 2 1 2 2 0 2 4 1 0 3 3 3 11 41 100 25 9 13 3 3 3 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 42 41 q 2H J 64 | 26 25 dp 1H J 49 70 | 25 24 m 2H | 24 23 p 1H J 69 | 21 19 ddt 2H J 66 90 136 | 18 16 m 4H | 14 13 dddd 2H J 50 65 90 132 | 13 12 t 3H J 63 | 9 8 m 2H | 6 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)S(=O)(=O)C[C@@H](Cc1cccc2ccccc12)C(=O)O
ir: 4 4 3 4 19 17 4 10 5 6 8 6 7 6 6 12 13 9 16 31 22 14 3 3 9 6 2 2 11 2 1 2 2 1 1 2 2 1 1 3 2 13 19 4 7 19 15 2 2 3 13 3 2 2 3 8 3 2 2 2 2 9 5 3 2 1 2 4 9 23 6 5 3 5 5 11 8 9 14 20 5 4 5 6 20 51 16 5 4 3 2 5 17 7 6 4 13 12 5 2 5 4 4 13 24 25 7 13 5 2 5 5 4 6 5 2 2 4 7 19 7 5 4 2 2 3 6 3 5 4 7 5 3 5 4 5 4 4 4 4 3 3 10 20 5 2 5 7 5 2 3 9 6 3 1 1 1 2 3 2 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 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 2 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 2 2 1 2 2 1 1 2 2 2 2 2 3 3 5 8 4 3 3 3 5 6 7 12 8 10 14 23 29 6 7 3 2 0 3 8 100 99 3 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 97 97 s 1H | 81 81 dq 1H J 6 76 | 79 78 ddt 2H J 15 79 98 | 76 75 ddt 1H J 11 70 78 | 75 74 m 2H | 72 72 ddt 1H J 9 15 81 | 33 32 m 3H | 30 29 m 2H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1Oc1ccnc(N)c1
ir: 2 1 5 3 1 4 4 1 1 1 1 2 4 6 9 3 22 4 7 12 9 6 5 3 8 8 10 6 4 5 4 3 4 16 8 4 7 5 14 10 4 5 9 4 2 3 4 41 10 1 4 6 2 6 9 6 13 6 6 3 2 2 1 3 2 5 5 10 8 5 4 3 6 5 3 1 2 1 2 8 10 2 2 2 2 2 1 2 6 7 4 3 3 2 4 3 4 7 1 3 6 3 3 1 4 3 1 3 8 2 3 1 1 1 1 1 1 1 0 1 1 3 4 2 6 19 8 4 1 1 1 2 1 1 1 3 3 0 9 6 8 4 1 1 11 4 8 13 11 31 13 4 3 44 3 3 1 3 11 48 20 95 3 2 2 7 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 5 4 4 16 8 5 2 1 2 0 1 2 1 0 1 1 1 0 1 3 2 9 9 5 7 23 11 3 19 7 7 5 1 11 100 9 2 2 0 0 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 81 80 d 1H J 48 | 75 74 m 2H | 71 71 s 2H | 71 70 dd 1H J 21 49 | 69 69 m 2H | 68 67 d 1H J 22 | 60 59 s 2H | 33 32 m 4H | 32 32 dt 2H J 48 113 | 29 28 m 5H | 28 27 q 2H J 78 | 14 13 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1nc(-c2c(-c3ccccc3)nn3ccc(C(=O)O)cc23)ccc1=O
ir: 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 4 2 1 1 9 2 2 8 24 0 2 2 2 1 1 7 3 2 3 4 1 2 4 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 8 2 1 3 5 2 1 1 1 1 1 1 2 2 3 2 1 1 2 3 3 1 3 3 3 2 12 2 1 1 1 1 1 1 1 2 2 3 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 4 1 1 1 1 1 1 2 4 7 5 1 1 1 1 2 1 2 2 1 3 2 2 1 1 5 1 2 3 2 4 1 2 2 4 3 7 4 3 4 2 2 7 2 2 1 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 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 3 3 3 4 6 6 4 4 4 3 1 0 5 100 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 d 1H J 70 | 83 82 d 1H J 12 | 77 77 dq 3H J 13 70 | 77 76 d 1H J 95 | 75 75 m 2H | 74 74 ddt 1H J 15 70 88 | 68 68 d 1H J 95 | 45 44 p 1H J 68 | 14 14 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC2(OCCO2)C2(CCCC2)C1=O
ir: 5 3 3 2 3 2 1 2 2 1 1 2 4 5 2 2 2 1 1 5 6 2 1 2 2 6 3 3 2 4 2 2 3 8 24 10 3 2 2 2 2 2 3 3 2 1 2 2 2 1 1 2 2 2 2 3 3 2 2 2 1 2 3 3 2 4 4 3 2 2 3 4 3 2 2 2 2 1 2 2 1 2 5 3 1 1 2 2 4 3 7 5 2 3 6 5 4 2 2 2 2 2 2 2 2 9 10 10 24 7 5 2 2 4 3 5 2 5 4 3 4 5 3 6 3 8 8 5 3 3 2 1 1 2 3 9 4 3 2 1 1 2 2 1 1 3 3 7 100 0 1 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 3 3 3 3 6 2 2 2 2 2 5 15 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 40 39 m 2H | 39 38 m 2H | 34 34 m 2H | 29 29 s 2H | 21 21 m 2H | 20 19 m 4H | 19 18 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(O)c2cc(Cl)cn2n(Cc2ccccn2)c1=O
ir: 3 4 7 19 13 8 14 8 9 17 9 7 14 17 13 30 15 10 11 13 21 21 31 32 51 40 12 11 6 7 9 29 6 19 4 9 6 4 31 13 11 6 6 2 5 15 4 5 10 32 91 19 6 10 13 9 10 4 5 3 4 5 6 10 25 11 12 5 3 2 6 3 9 15 8 10 9 3 19 15 9 8 9 5 4 3 4 6 5 28 8 23 29 67 68 15 44 30 25 14 6 4 1 3 7 19 33 22 4 3 3 2 3 5 3 2 3 4 5 4 9 5 3 2 3 14 2 4 4 8 2 4 28 10 6 12 17 11 6 4 5 5 3 3 4 3 3 12 53 19 8 3 4 4 24 10 6 7 35 0 2 6 53 8 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 3 3 2 2 2 2 2 2 2 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 4 4 3 3 3 3 4 3 5 8 8 11 16 27 17 17 25 100 31 19 15 8 4 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 dd 1H J 18 42 | 77 76 m 2H | 74 73 dq 1H J 11 79 | 73 72 ddd 1H J 13 41 73 | 69 69 d 1H J 16 | 51 50 d 2H J 9 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C1(O)CC=CCCCCCCCC1
ir: 25 36 37 17 15 9 16 7 5 9 11 8 13 8 12 9 9 8 11 8 3 7 14 2 3 7 11 10 7 6 8 5 8 14 14 14 11 28 22 23 7 7 11 10 23 14 17 7 7 9 5 3 3 5 5 1 3 6 3 7 6 6 4 5 4 5 5 7 21 8 10 5 14 18 77 100 36 57 74 16 14 5 8 11 6 8 41 3 10 7 6 23 25 20 32 81 52 9 13 12 8 7 5 5 12 12 19 30 16 8 20 13 27 19 30 22 10 13 21 23 2 20 15 21 11 22 25 67 27 25 23 9 11 18 29 18 8 5 8 16 26 9 6 5 4 1 2 3 2 1 1 3 2 1 2 4 14 17 7 6 5 3 3 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 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 1 3 2 1 1 3 2 0 1 3 2 0 1 3 1 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 2 2 3 3 1 2 5 4 3 6 11 17 12 10 16 14 17 20 41 18 24 54 57 31 33 21 10 16 28 35 28 23 29 11 3 2 2 3 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 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 55 54 m 1H | 54 53 dtt 1H J 15 51 100 | 52 51 dd 1H J 10 22 | 50 49 dq 1H J 14 29 | 34 33 s 1H | 24 23 ddq 1H J 12 51 162 | 21 20 m 1H | 21 20 m 2H | 19 18 m 1H | 17 17 t 3H J 11 | 16 15 m 1H | 15 12 m 13H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
ClCc1cc2cc(Cl)ncc2n1CCC1CSC1
ir: 3 3 3 26 9 7 0 3 3 2 3 8 3 10 8 5 4 2 4 28 28 3 9 3 3 2 2 4 3 6 2 3 5 4 74 20 4 3 5 4 62 19 18 4 5 3 4 4 8 1 2 3 2 1 2 4 5 2 15 19 8 2 4 7 2 1 100 9 3 4 2 4 8 2 3 2 4 7 3 2 4 2 3 3 4 3 4 13 3 2 2 2 4 11 13 17 16 5 8 19 24 6 5 2 1 3 10 79 14 10 10 18 8 6 5 3 2 3 7 7 30 6 5 5 4 3 3 5 22 4 13 20 55 5 3 4 2 3 3 2 3 2 2 2 2 2 2 2 19 4 2 1 1 2 2 2 2 2 2 2 2 3 79 1 1 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 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 4 11 8 24 13 6 3 10 7 4 13 20 33 27 17 35 16 5 5 3 4 4 4 2 1 3 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 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; 1HNMR: 84 84 s 1H | 73 73 d 1H J 22 | 66 66 dq 1H J 8 22 | 45 44 d 2H J 10 | 41 41 t 2H J 56 | 29 29 dd 2H J 37 118 | 27 26 dd 2H J 37 118 | 21 20 hept 1H J 39 | 18 18 td 2H J 41 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC(CN(Cc1ccccc1)Cc1ccccc1)(C1CC1)C1CC1
ir: 1 1 0 1 2 1 1 1 1 0 4 4 3 1 3 2 3 2 2 3 3 4 4 5 6 12 3 3 3 3 9 9 2 1 1 0 3 12 3 22 38 7 4 6 3 4 1 1 1 1 1 1 1 0 0 0 0 1 1 0 1 2 16 6 2 2 1 2 7 1 1 1 1 0 1 2 1 6 13 8 4 5 9 13 11 7 1 6 11 10 3 1 1 1 0 2 2 5 20 11 3 3 5 8 2 2 1 1 4 1 1 2 3 1 1 0 0 0 1 2 1 1 0 1 1 1 0 1 2 1 2 1 3 6 4 13 3 1 1 1 1 3 6 26 5 1 3 3 4 4 1 19 3 5 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 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 14 2 2 5 8 11 100 11 6 8 9 45 29 5 1 1 2 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; 1HNMR: 74 72 m 11H | 36 36 t 4H J 8 | 28 28 s 2H | 24 24 s 1H | 17 16 p 2H J 63 | 7 6 m 4H | 4 3 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cc(C(F)(F)F)cnc1C(=O)Cl
ir: 10 6 4 3 7 5 2 4 9 26 15 3 1 5 3 1 1 2 2 1 1 2 3 3 3 8 7 3 1 2 3 2 3 2 2 2 8 15 4 37 67 22 3 3 2 2 2 3 3 3 1 1 1 3 2 1 5 3 2 2 2 2 3 3 6 34 36 6 12 3 2 1 8 11 3 1 2 3 1 1 3 2 3 100 76 10 20 13 7 3 1 1 3 13 17 3 5 4 50 48 9 4 1 2 5 16 23 23 17 5 0 3 8 20 35 10 5 3 2 3 6 2 0 6 100 91 11 26 55 58 11 4 4 3 1 1 3 1 2 2 6 6 6 1 30 25 2 3 3 1 1 3 2 4 15 22 3 1 1 2 3 5 5 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 0 1 2 1 0 1 2 2 0 1 2 4 4 2 2 2 1 1 2 2 1 2 5 11 14 8 11 11 16 15 3 3 1 2 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 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 90 89 p 1H J 13 | 87 87 dq 1H J 9 18 | 33 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@H](NC1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C2CCC2CN2CCCC2)cn1
ir: 2 2 4 3 5 4 2 3 2 2 1 2 4 5 4 3 5 5 3 6 5 3 1 2 3 4 9 7 5 7 2 3 6 6 15 7 10 10 9 13 35 25 27 61 48 9 16 7 7 2 5 5 3 3 7 3 3 5 11 3 3 0 4 10 17 26 41 40 12 6 5 3 7 8 4 2 2 5 9 18 17 9 6 4 3 5 2 9 5 2 2 2 5 7 8 4 27 5 10 7 5 7 5 10 23 11 38 9 14 14 8 13 24 7 6 9 10 8 7 7 11 8 5 14 10 7 4 3 6 6 10 5 4 11 5 10 11 3 4 5 33 10 8 7 12 7 9 13 28 16 32 100 16 0 4 12 2 2 1 1 20 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 1 1 1 1 0 0 0 0 0 1 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 0 1 1 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 6 3 6 3 12 5 6 9 8 9 5 18 16 51 9 24 15 3 1 3 2 3 4 2 2 2 2 3 7 5 4 5 17 31 45 34 29 35 35 29 68 18 4 2 1 4 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0; 1HNMR: 81 80 s 1H | 75 75 dd 1H J 7 16 | 70 69 m 1H | 67 66 td 1H J 21 121 | 66 65 ddt 1H J 9 20 123 | 42 42 dtd 1H J 7 29 73 | 36 35 m 2H | 32 31 dtt 1H J 50 66 82 | 31 30 ddd 1H J 48 67 159 | 30 27 m 8H | 25 25 dd 1H J 41 107 | 22 21 m 1H | 21 20 m 2H | 19 18 m 2H | 18 17 m 6H | 17 16 m 1H | 15 14 m 2H | 14 12 ttd 1H J 60 74 136 | 10 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CNC(=O)OCc1ccccc1
ir: 13 9 3 4 3 3 3 2 4 9 10 3 2 4 3 6 2 5 3 3 4 3 8 6 8 9 25 56 93 21 46 19 9 12 19 11 6 7 10 16 8 12 16 6 9 8 6 6 6 5 3 8 4 9 3 1 4 4 3 1 5 5 2 5 7 8 5 2 3 4 3 3 3 5 2 1 3 3 3 3 2 2 2 1 2 2 1 1 4 6 2 2 2 3 3 4 7 2 9 7 5 3 4 3 6 6 5 8 7 6 5 6 16 10 4 4 3 3 3 7 11 6 4 11 7 5 9 6 5 6 5 5 4 5 6 10 4 3 3 5 8 35 28 33 12 90 81 28 32 97 15 10 4 1 2 4 3 0 2 4 2 1 1 3 2 1 1 3 2 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 3 1 2 3 1 3 3 3 4 9 10 7 6 17 17 18 28 12 21 8 5 3 2 3 2 2 2 2 2 2 2 2 2 4 5 3 6 7 5 13 49 100 18 11 10 8 3 2 2 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 74 73 m 5H | 67 67 d 1H J 84 | 65 65 t 1H J 69 | 51 51 s 2H | 46 46 d 1H J 82 | 39 38 m 2H | 37 36 m 1H | 35 34 dddd 1H J 31 38 56 113 | 19 17 m 5H | 16 15 m 3H | 14 14 s 7H | 9 8 ddd 6H J 15 62 191
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(CN2CCc3c(C)cc(I)c(Cl)c3C2=O)c(OCc2ccccc2)n1
ir: 2 3 8 5 2 3 4 6 9 6 8 19 11 15 12 4 8 2 7 13 9 4 6 3 3 7 6 3 4 5 11 26 12 8 4 1 8 5 3 5 44 5 8 26 7 16 45 9 5 2 3 4 3 2 3 3 4 2 3 4 6 9 5 7 17 25 16 5 12 11 6 12 8 3 8 4 3 2 3 4 2 2 3 3 6 4 4 6 5 14 6 4 5 4 5 7 15 22 9 13 29 4 6 3 2 6 28 7 5 3 2 6 11 22 7 3 2 4 5 9 3 11 7 5 8 7 11 6 5 5 6 7 7 5 3 8 5 17 16 4 2 5 6 16 6 8 9 12 5 22 58 5 5 5 96 6 3 0 48 11 3 4 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 3 3 3 3 5 5 4 4 6 3 4 6 9 8 10 16 100 52 8 4 4 4 2 2 3 3 2 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 77 76 s 1H | 74 74 ddt 2H J 9 16 67 | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 64 63 t 1H J 8 | 53 53 t 2H J 9 | 48 48 s 2H | 39 38 t 2H J 48 | 32 31 m 2H | 24 24 s 3H | 23 23 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nc2c(C)cccc2n1Cc1ccc(-c2ccncc2C#N)cc1
ir: 8 5 3 6 5 2 4 12 10 4 1 8 2 26 29 28 15 90 13 13 7 6 6 5 5 5 7 7 15 12 20 12 12 1 5 4 6 4 13 14 21 36 13 5 15 27 18 15 5 3 5 5 14 18 21 10 16 66 39 12 5 1 2 5 2 2 3 5 18 24 20 34 37 37 26 7 5 2 9 6 2 6 7 4 3 3 7 9 29 45 7 5 6 12 5 3 2 4 11 11 5 3 2 4 5 11 4 4 4 6 5 14 43 19 12 17 21 12 17 14 8 12 12 14 14 6 2 4 3 12 6 6 4 6 2 10 46 39 12 17 7 24 17 4 24 100 19 19 39 45 10 7 15 7 4 3 7 18 41 7 4 3 2 15 2 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 3 4 81 5 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 6 3 3 4 7 7 6 8 7 6 6 8 34 20 23 62 83 78 16 17 6 4 1 7 5 5 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 91 91 d 1H J 12 | 87 86 dd 1H J 13 37 | 78 77 d 1H J 37 | 75 75 m 2H | 74 74 dd 1H J 13 73 | 73 72 dd 1H J 72 81 | 72 71 ddt 1H J 9 16 83 | 71 70 dq 2H J 9 73 | 54 53 d 2H J 9 | 27 26 t 2H J 62 | 26 26 d 3H J 7 | 18 17 qt 2H J 62 75 | 10 9 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CC2O[C@@]23COCC[C@@H]3C1
ir: 2 13 10 1 1 1 2 2 1 0 0 1 1 2 0 1 4 1 1 3 15 9 1 1 0 1 4 13 12 5 3 1 22 8 1 1 1 0 0 1 2 5 9 6 6 3 1 1 3 6 10 7 7 14 11 2 1 0 1 5 5 1 4 19 15 1 3 3 1 1 1 2 1 9 100 57 3 1 1 3 7 4 1 1 6 7 1 0 1 1 2 6 2 3 4 2 18 13 4 2 4 3 6 26 16 12 9 2 4 4 4 10 23 13 6 6 3 4 6 10 15 18 10 3 3 5 4 1 2 1 3 2 1 1 2 3 1 1 1 0 0 1 1 0 0 1 1 0 1 1 4 4 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 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 2 3 7 8 11 9 8 4 10 9 6 6 31 37 19 5 2 1 0 1 2 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 40 39 d 1H J 113 | 38 37 m 2H | 36 35 ddd 1H J 31 59 109 | 33 32 t 1H J 36 | 19 15 m 8H | 14 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
ir: 8 7 11 11 3 5 8 9 16 4 14 6 5 4 3 4 2 7 2 8 16 13 12 14 6 5 4 5 4 9 8 8 17 12 11 9 13 62 46 73 30 7 5 6 3 2 6 8 5 1 3 4 2 11 37 39 73 21 13 20 7 7 3 8 9 10 3 2 7 24 6 5 1 0 2 4 1 1 5 10 17 6 10 9 12 10 20 28 22 15 10 3 4 8 4 8 8 13 6 12 9 5 8 9 7 10 18 12 3 3 6 22 5 7 24 13 3 6 22 28 31 19 20 16 12 24 16 15 3 11 8 5 2 14 23 12 5 16 34 19 7 4 6 15 9 85 54 100 28 64 17 20 16 21 14 7 4 0 7 5 2 3 5 32 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 3 3 3 5 6 10 2 3 5 3 11 19 11 23 25 26 62 22 9 7 3 2 3 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 80 80 m 1H | 78 78 m 2H | 74 73 m 2H | 73 73 dt 1H J 7 15 | 39 38 dd 2H J 38 47 | 37 36 m 4H | 36 36 m 4H | 28 28 dq 1H J 61 68 | 26 26 t 2H J 54 | 22 22 s 2H | 21 20 m 2H | 14 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCc2nn(C3CCC3)c(-c3ccc(Cl)cc3)c2CC1
ir: 1 4 11 6 2 5 5 9 10 5 13 17 14 22 10 13 4 5 5 3 2 2 6 3 3 3 4 1 2 3 6 4 2 2 1 0 2 8 4 1 3 2 2 1 1 2 1 1 3 4 5 4 3 19 11 38 27 11 2 2 8 9 6 8 6 7 4 2 9 5 1 1 2 2 1 1 3 2 1 1 2 1 1 1 1 8 2 4 6 4 3 2 2 4 10 13 3 5 4 3 4 5 6 9 7 4 1 5 4 4 2 4 7 9 5 4 5 7 6 13 13 19 10 21 9 6 4 7 6 6 14 9 12 9 8 9 12 13 17 16 14 5 5 26 6 4 5 4 7 30 17 100 8 0 0 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 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 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 4 3 3 13 2 5 3 10 18 37 12 46 58 20 8 4 2 6 5 5 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 75 m 2H | 74 74 m 2H | 46 45 p 1H J 30 | 38 37 t 2H J 67 | 37 36 t 2H J 61 | 31 30 t 2H J 67 | 28 28 t 2H J 62 | 22 21 m 2H | 20 18 m 5H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(OC(F)F)cn1
ir: 11 10 3 13 27 18 9 17 16 7 11 5 10 9 4 15 6 4 4 8 8 2 3 5 6 8 18 17 5 5 2 5 5 2 4 32 7 31 4 6 4 1 3 6 4 0 2 6 4 0 5 8 9 42 12 63 14 5 8 38 5 21 18 8 4 2 3 6 8 7 7 26 5 31 43 41 18 9 6 16 4 2 5 5 3 2 4 4 5 9 8 14 3 4 4 4 2 2 5 6 7 22 11 6 4 5 7 30 6 4 11 7 10 25 27 18 10 11 8 6 6 5 6 4 22 11 8 5 11 5 6 2 3 4 4 3 2 77 50 28 7 4 81 100 70 31 9 1 1 6 8 22 6 7 4 1 2 6 4 0 5 7 6 0 2 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 2 5 3 1 3 5 3 0 3 5 3 1 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 7 4 2 3 6 4 2 3 6 6 3 7 7 15 9 21 55 36 25 6 6 4 2 4 5 3 1 4 5 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 1 3 4 3 1 3 4 3 1; 1HNMR: 84 84 d 1H J 19 | 81 80 d 1H J 88 | 74 73 dd 1H J 20 88 | 67 66 s 0H | 44 43 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1Oc2c(C)cc(C)cc2N(CCC(=O)OC)C1=O
ir: 16 10 12 8 6 15 7 7 5 4 3 3 9 16 4 12 7 6 1 5 5 2 1 3 5 9 7 9 7 3 2 4 6 4 9 23 12 19 100 34 6 4 7 12 12 8 6 7 3 3 2 3 11 6 2 2 2 2 4 3 6 22 21 25 16 6 8 17 6 12 7 17 20 15 21 7 5 7 3 2 2 2 10 21 3 1 2 2 1 2 3 5 9 5 11 5 5 14 10 11 3 16 16 7 3 5 14 5 7 12 22 22 17 9 17 17 11 27 8 28 6 14 33 16 50 58 9 5 5 7 10 8 12 7 12 20 13 11 3 7 7 23 21 16 43 34 9 41 13 9 99 5 3 2 2 2 2 18 3 1 2 2 19 20 3 4 2 0 2 3 1 0 2 3 2 0 2 3 1 0 2 3 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 2 0 1 3 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 3 7 8 9 6 6 13 18 6 5 7 9 8 16 15 32 37 5 31 51 21 7 5 4 2 2 3 3 3 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 70 70 m 2H | 49 48 tq 1H J 16 49 | 42 41 q 2H J 67 | 36 36 s 3H | 27 26 t 2H J 66 | 23 23 s 3H | 21 20 s 3H | 20 19 m 1H | 18 17 dqd 1H J 49 81 130 | 11 10 td 3H J 15 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2cc3c4c(c2)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2N4CC3)c(Cl)c1
ir: 2 3 4 5 7 11 16 3 5 5 20 6 3 4 2 2 1 1 2 3 3 3 2 2 3 2 1 2 2 1 2 4 1 1 2 4 3 4 1 1 2 1 1 1 1 1 1 1 2 1 2 2 4 1 32 8 5 11 3 1 1 8 4 2 8 5 6 8 7 7 4 3 3 3 2 1 2 1 4 1 1 1 2 12 4 1 1 1 2 3 6 12 4 21 3 2 2 2 4 1 5 1 1 1 4 3 2 1 1 2 2 3 5 5 5 10 27 19 14 34 4 3 5 5 5 4 3 4 3 14 9 9 13 2 2 7 43 15 3 2 1 3 1 1 1 1 1 4 9 3 7 76 10 4 2 1 1 0 1 4 1 0 1 6 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 4 5 1 1 4 8 6 6 11 11 1 16 100 13 4 2 2 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 76 75 d 1H J 86 | 73 73 d 1H J 24 | 72 71 dt 1H J 9 20 | 71 70 d 1H J 22 | 69 69 dd 1H J 22 86 | 40 38 m 2H | 38 37 m 4H | 38 37 m 1H | 37 37 m 2H | 34 33 ddd 1H J 53 81 123 | 30 29 m 2H | 26 26 m 1H | 22 21 ddt 1H J 54 81 119 | 20 19 dddd 1H J 27 53 81 117 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC(C)c1ccccc1C
ir: 4 2 4 3 2 8 7 6 2 4 5 3 3 5 8 4 3 2 2 1 1 7 7 2 1 3 3 3 2 3 2 2 1 4 6 6 6 11 11 14 17 34 46 23 40 20 12 9 5 3 11 2 8 6 12 16 18 10 6 3 8 8 5 2 4 5 5 3 5 9 8 10 15 14 13 7 5 10 9 8 4 2 2 2 3 4 2 3 3 10 12 6 6 13 16 13 12 7 3 11 19 6 7 13 18 26 23 14 12 13 5 16 16 27 30 37 68 25 16 19 6 6 17 18 8 25 18 25 11 12 3 9 8 8 2 7 15 16 2 6 6 6 4 20 31 14 2 4 6 12 5 5 2 2 2 2 2 1 2 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 2 3 3 4 3 3 3 4 3 3 3 5 3 4 7 7 22 21 18 33 10 28 20 6 5 4 3 3 3 2 2 3 3 3 3 2 4 5 7 43 70 100 16 3 1 3 3 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 72 71 m 4H | 43 42 ddt 1H J 52 57 66 | 42 41 q 2H J 66 | 36 36 dd 1H J 62 168 | 35 34 dd 1H J 64 168 | 27 26 dt 1H J 64 71 | 23 23 d 3H J 6 | 15 15 d 3H J 55 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)c1
ir: 2 4 2 1 1 3 1 1 2 2 2 1 1 2 2 4 1 4 7 3 1 2 4 2 2 2 2 2 4 6 11 10 25 17 13 22 12 15 4 2 2 3 4 7 1 2 4 11 8 2 2 7 1 1 1 1 1 1 1 1 2 1 1 1 2 3 5 13 9 19 7 5 3 2 1 2 2 3 4 2 2 2 2 1 4 2 2 9 2 1 1 1 1 1 5 1 1 7 3 12 3 1 1 4 8 1 1 1 4 1 1 1 1 15 0 2 7 2 2 3 2 2 5 4 4 4 11 5 3 2 1 2 1 1 1 24 1 1 3 4 1 4 3 10 10 8 10 3 4 2 1 4 16 2 5 1 1 3 12 33 2 3 2 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 5 2 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 0 1 2 2 0 1 2 2 2 2 3 2 0 5 14 16 100 29 4 6 4 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 14 12 16 15 8 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 89 89 s 1H | 85 85 s 1H | 81 81 m 2H | 79 79 t 1H J 21 | 76 76 ddd 1H J 13 22 79 | 74 73 m 8H | 22 21 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(N)cc(Br)c1
ir: 12 47 11 7 2 3 2 3 2 1 1 1 2 7 8 11 10 4 3 3 4 1 1 2 3 2 2 2 2 1 1 5 3 1 2 2 2 1 1 2 1 1 1 2 2 1 3 4 2 0 1 2 2 1 1 2 3 1 2 2 2 2 2 1 1 7 48 10 3 0 2 2 1 1 1 1 1 2 3 6 10 3 1 2 1 1 1 2 1 1 9 13 2 4 7 12 1 1 1 1 0 1 1 1 0 1 1 1 2 3 2 1 0 1 1 1 0 1 4 1 1 1 3 1 3 3 2 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 6 9 9 2 2 5 5 1 5 34 1 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 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 3 4 1 7 13 8 4 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 29 33 3 1 1 1 1 0 0 1 1 3 100 23 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 tt 1H J 9 20 | 68 68 t 1H J 22 | 67 66 tt 1H J 9 22 | 43 43 s 2H | 43 42 d 2H J 9 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)c1ccc2c(c1)C(C1c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2
ir: 3 4 2 1 2 2 1 1 0 2 1 1 0 2 4 0 1 3 1 2 1 1 2 0 0 1 7 1 1 2 5 1 13 2 9 2 2 10 8 7 4 20 32 13 1 17 1 0 1 2 1 1 13 11 10 4 1 2 1 0 1 1 0 0 0 1 1 0 8 12 5 4 1 2 2 1 1 1 1 0 1 3 13 5 10 6 2 3 2 2 4 2 1 1 5 1 1 1 0 1 2 1 0 1 1 1 1 1 2 8 2 1 2 1 0 1 1 3 2 1 1 1 1 1 3 1 1 3 2 1 0 1 2 1 1 4 20 25 2 8 15 12 2 1 1 1 1 1 1 12 21 3 1 0 1 1 1 1 3 1 1 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 2 3 3 2 1 4 8 8 100 60 7 7 2 2 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 d 1H J 18 | 82 81 d 1H J 80 | 80 80 dd 1H J 20 82 | 79 78 d 1H J 83 | 78 77 m 2H | 76 76 m 3H | 76 76 d 1H J 22 | 75 74 m 4H | 56 55 m 1H | 53 52 d 1H J 90
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](CCCC(=O)O)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1
ir: 1 5 5 5 7 5 7 5 3 2 3 7 6 11 18 6 10 6 5 15 26 48 29 12 10 4 13 3 2 2 2 2 3 2 4 2 2 2 2 2 4 3 2 3 2 2 3 2 2 5 4 0 4 23 50 14 3 0 2 2 2 6 16 9 4 3 4 8 7 5 2 3 6 3 4 9 3 15 23 32 6 7 6 17 24 6 13 9 16 9 11 9 13 3 3 9 2 3 3 4 3 2 2 2 2 2 2 3 3 2 4 5 4 2 2 2 2 4 3 3 4 8 6 13 3 3 2 2 2 3 2 2 2 1 2 2 2 4 4 3 7 6 8 33 5 9 21 5 7 3 1 3 9 20 2 1 1 2 2 2 9 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 2 1 2 2 3 2 2 2 2 2 3 3 4 8 11 6 18 39 35 9 4 8 6 5 2 3 55 100 3 2 2 3 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 | 76 75 m 2H | 74 73 d 1H J 74 | 72 72 d 1H J 20 | 71 71 dd 1H J 21 74 | 42 41 h 1H J 80 | 24 23 m 2H | 20 19 dq 1H J 79 117 | 18 15 m 4H | 13 13 d 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCc2ccccc2N1
ir: 11 32 100 62 16 14 23 39 40 14 6 8 10 11 6 12 14 13 9 6 5 4 4 4 2 2 1 1 1 1 0 3 5 2 3 4 2 1 1 3 3 23 20 15 6 4 6 5 7 5 1 2 2 6 6 2 2 1 1 2 1 4 3 4 2 8 9 2 2 1 2 1 1 1 5 5 3 3 1 1 1 1 1 7 6 2 2 2 24 30 3 2 5 3 2 2 2 4 1 2 3 9 3 2 1 3 7 11 21 10 2 3 1 7 12 11 7 3 2 4 3 3 3 2 3 2 2 2 5 4 4 3 0 1 4 5 7 2 3 4 9 12 25 22 5 3 9 8 2 8 13 15 2 0 1 1 1 0 1 1 7 6 3 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 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 2 2 1 1 1 1 4 2 3 4 3 19 30 22 5 1 1 1 1 1 2 1 0 0 1 0 0 1 1 0 0 1 2 0 1 10 60 58 26 9 4 2 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 dddd 2H J 17 33 45 73 | 68 67 dd 1H J 13 85 | 67 66 td 1H J 14 76 | 54 53 d 1H J 75 | 42 41 dt 1H J 52 77 | 37 37 s 2H | 31 30 dddd 1H J 8 60 88 156 | 29 28 dddd 1H J 9 61 88 156 | 24 23 dddd 1H J 52 60 88 139 | 22 21 dddd 1H J 52 61 86 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOCCOCc1ccsc1
ir: 1 1 3 1 1 1 2 1 9 5 5 5 2 2 3 5 2 10 2 2 0 1 1 1 1 3 9 3 0 1 1 1 0 1 1 1 1 1 2 2 7 14 22 24 21 27 7 2 13 8 2 4 7 14 9 9 11 22 6 7 4 7 6 8 14 22 29 14 9 17 8 15 10 6 3 9 4 3 3 3 2 2 1 1 1 1 1 3 9 2 2 2 3 3 9 20 12 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 3 6 5 2 5 4 3 3 4 4 6 8 5 2 1 2 4 10 21 3 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 10 10 1 3 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 3 2 1 1 2 2 1 2 3 10 5 2 11 19 12 100 30 4 8 2 1 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 73 73 dd 1H J 16 51 | 72 72 tt 1H J 8 17 | 70 70 ddt 1H J 8 18 52 | 44 44 d 2H J 9 | 37 36 m 6H | 36 35 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.
CCOC(=O)c1ccc2cnn(C[C@@H](C)O)c2c1
ir: 1 1 2 3 6 9 5 2 2 1 1 2 3 14 3 3 2 1 0 1 2 5 4 1 1 1 0 1 1 0 0 2 2 1 0 1 1 0 2 2 1 0 0 1 0 0 1 0 0 1 1 1 1 1 3 10 3 2 1 1 1 1 1 5 1 1 2 9 4 8 6 4 3 5 4 5 1 1 2 2 2 2 1 2 1 1 4 9 23 18 2 4 8 15 2 3 2 2 3 1 1 1 1 1 2 4 7 5 2 2 1 2 7 5 1 1 1 6 11 1 2 2 2 2 4 5 1 1 8 1 1 1 2 1 1 1 0 1 1 1 1 15 5 1 1 24 13 1 0 1 1 1 1 1 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 3 1 1 1 2 1 1 2 2 1 1 3 3 5 2 4 15 6 5 2 2 2 3 7 100 12 1 1 2 1 1 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dd 1H J 19 82 | 81 81 d 1H J 22 | 80 80 m 2H | 44 44 q 2H J 64 | 42 41 dd 1H J 43 140 | 41 40 m 1H | 40 39 dd 1H J 42 141 | 31 31 d 1H J 53 | 14 14 t 3H J 64 | 14 13 d 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cccc3c2C1(CCCCN1CCC(Cc2ccccc2)CC1)CCC3
ir: 7 3 4 5 3 3 3 2 2 16 10 24 4 3 5 5 20 8 19 3 2 2 3 4 2 2 1 6 7 85 38 19 11 7 15 39 11 2 8 11 32 21 21 22 11 19 58 24 8 9 4 5 3 2 5 4 2 2 9 2 1 0 2 4 1 1 5 10 5 5 3 4 5 10 4 6 7 4 13 13 72 3 4 5 4 8 16 3 2 14 5 8 2 4 2 2 4 11 10 13 15 10 22 10 2 6 15 23 14 7 10 15 7 13 6 5 7 6 6 3 7 5 5 11 6 3 6 4 3 8 7 15 6 7 12 29 7 9 3 5 8 6 20 25 6 8 7 5 5 3 3 15 38 22 2 2 2 0 23 42 21 3 3 2 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 3 4 7 9 8 3 5 4 6 8 16 25 16 27 100 71 41 5 2 3 4 3 1 1 2 1 0 1 2 1 1 5 4 1 1 6 9 18 53 74 11 6 3 0 0 3 2 0 0 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 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: 91 90 s 1H | 73 72 m 5H | 72 71 dq 2H J 9 69 | 69 68 ddt 1H J 10 20 57 | 29 28 m 4H | 28 27 ddd 2H J 55 81 121 | 26 26 dt 2H J 9 70 | 25 24 m 2H | 23 22 ddd 1H J 56 82 140 | 22 21 m 1H | 21 17 m 7H | 17 15 m 5H | 15 14 dqd 1H J 68 79 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(COc2ccc(Cn3ccnc3)cc2)cc1
ir: 1 1 1 2 4 3 4 3 2 3 3 11 10 7 5 3 2 2 1 1 1 1 1 2 2 2 2 3 5 22 10 9 2 2 2 2 3 3 8 13 23 31 5 5 6 0 14 6 4 4 3 4 7 6 6 49 5 5 2 1 2 1 10 1 2 3 5 3 6 7 2 2 2 2 1 2 4 2 5 2 2 2 2 7 2 5 13 8 4 6 3 4 2 7 8 6 15 9 12 6 4 4 6 15 5 4 2 1 2 1 1 1 2 5 2 2 3 2 1 2 9 6 4 3 4 6 3 3 1 2 2 2 3 2 7 6 5 2 1 1 2 2 11 8 4 4 5 4 19 5 6 6 14 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 3 2 3 7 4 2 8 21 39 98 36 100 15 12 6 2 3 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 tt 1H J 9 18 | 74 74 m 2H | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 72 72 dt 2H J 10 79 | 71 70 ddt 1H J 9 18 36 | 70 70 dd 1H J 17 37 | 68 68 m 2H | 53 52 p 2H J 9 | 51 50 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C=O)c1ccc(-c2ccc(F)cc2)c(Br)c1
ir: 4 2 1 7 8 2 0 2 3 2 0 2 3 2 1 5 3 2 1 3 5 2 5 6 5 2 2 3 3 4 2 5 4 3 3 5 5 2 1 3 2 0 1 4 3 0 2 5 5 3 4 6 29 16 57 45 33 10 9 7 4 1 2 3 2 2 11 10 21 4 5 8 4 2 4 4 1 1 3 3 5 8 4 3 4 2 3 4 2 3 5 4 2 1 4 8 6 2 3 4 2 5 7 5 4 3 6 4 6 6 7 2 1 3 5 3 0 3 5 3 1 5 5 3 2 6 5 2 1 3 3 1 0 2 3 1 2 8 20 3 1 3 3 1 4 9 42 21 18 7 6 7 17 5 4 1 1 3 3 11 3 3 2 1 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 3 3 3 2 1 2 3 2 0 3 5 5 3 3 7 10 12 85 100 31 11 6 3 4 2 3 3 2 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 97 97 dq 1H J 10 77 | 76 76 dd 1H J 7 22 | 76 76 d 1H J 85 | 75 75 m 2H | 73 73 m 1H | 73 72 m 2H | 38 37 m 1H | 15 15 dd 3H J 9 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)OCc1ccccc1
ir: 5 5 5 6 2 4 2 2 2 2 2 1 1 1 2 1 1 4 2 1 2 2 3 2 1 9 12 17 19 8 2 1 4 2 2 1 2 2 2 4 24 7 5 10 2 1 1 1 2 1 2 0 2 4 3 1 4 5 4 8 7 8 8 5 4 7 9 6 7 11 5 9 11 21 5 2 6 15 8 3 1 11 9 3 1 1 2 3 5 4 3 1 1 2 1 2 1 6 3 3 2 1 1 1 2 2 2 2 1 3 3 3 2 1 1 2 1 2 2 5 6 7 6 8 7 3 8 5 4 3 4 10 12 13 21 68 9 5 1 4 7 2 5 12 33 9 8 10 5 16 4 3 2 0 1 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 3 1 2 2 1 1 3 2 3 2 7 5 6 21 38 23 8 2 1 2 2 2 2 1 1 1 3 3 4 6 14 20 8 5 5 6 100 69 23 19 6 1 2 2 1 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 2 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; 1HNMR: 74 74 ddt 1H J 9 20 74 | 74 73 m 4H | 73 73 m 2H | 73 72 m 2H | 53 52 d 2H J 68 | 52 52 d 2H J 10 | 52 51 m 2H | 48 48 t 1H J 55 | 38 37 tt 1H J 60 68 | 31 30 q 2H J 54 | 20 18 dtd 1H J 60 82 144 | 17 16 dtd 1H J 60 83 143 | 16 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)OCc1cnc(N)c(Cl)c1CO
ir: 10 10 8 6 11 17 2 11 14 12 7 5 8 8 4 9 11 3 4 3 4 3 4 7 3 3 4 7 10 5 3 0 2 3 4 7 7 2 1 3 14 8 4 6 2 2 3 1 1 2 3 2 1 1 2 4 2 2 2 2 2 2 2 4 4 0 2 3 4 2 5 1 1 1 1 3 4 4 2 1 1 1 2 2 1 2 3 5 10 17 25 21 35 34 8 3 4 3 5 4 2 4 7 3 2 2 1 0 0 1 0 1 1 1 2 4 1 1 1 4 7 4 5 4 7 4 7 3 4 2 2 1 4 9 2 4 1 1 2 1 1 1 1 1 2 7 6 2 3 20 55 7 20 59 6 1 1 9 100 8 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 1 0 0 1 1 1 1 1 2 3 1 1 2 1 2 2 2 5 2 1 1 2 1 2 3 4 47 61 30 15 4 2 2 1 1 1 1 1 13 18 1 1 0 1 1 1 1 1 2 0 5 38 1 1 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 9 | 54 54 d 2H J 9 | 53 52 s 2H | 47 47 d 2H J 62 | 36 36 t 1H J 61 | 30 30 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C[C@H](CN)C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]21
ir: 0 2 9 3 1 1 3 1 1 1 1 2 4 1 4 1 1 1 3 3 1 14 5 1 2 6 3 0 57 2 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 3 13 6 3 3 3 2 3 1 1 2 4 5 10 8 8 11 16 18 5 23 11 6 8 7 11 11 13 3 29 7 9 10 10 2 2 1 16 4 3 7 2 2 2 3 6 4 5 5 2 2 2 1 1 4 6 4 9 5 1 2 2 3 3 3 4 11 5 5 2 4 7 3 4 8 10 8 16 5 4 3 3 5 5 4 2 7 11 24 100 9 5 11 9 4 1 8 3 2 1 2 1 2 1 1 2 1 1 1 2 1 1 2 1 3 2 1 1 1 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 2 3 3 4 6 7 8 5 12 8 3 13 5 2 1 1 1 3 3 6 6 5 11 28 37 12 7 4 2 5 45 90 9 7 9 21 10 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 92 d 1H J 68 | 72 72 d 1H J 22 | 71 71 dd 1H J 7 22 | 70 69 dt 1H J 8 68 | 31 30 m 2H | 29 28 m 4H | 27 26 m 1H | 26 25 dd 1H J 56 115 | 23 23 d 3H J 15 | 21 20 ddd 1H J 44 55 136 | 19 17 m 2H | 16 16 t 2H J 60 | 14 13 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCNC(=O)C=CC(=O)O
ir: 1 1 1 1 2 2 1 1 1 1 2 5 2 3 1 2 3 3 3 4 3 3 19 7 4 2 3 2 3 3 14 30 21 15 3 2 4 3 2 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 2 1 2 3 4 6 18 7 2 1 2 2 1 1 1 2 1 1 2 2 3 3 2 2 3 3 49 0 2 2 1 2 2 2 2 2 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 2 2 3 6 5 2 3 2 3 3 3 2 4 3 4 3 3 3 2 2 3 2 2 2 2 3 2 2 2 3 5 2 2 1 1 1 1 2 2 2 3 4 3 63 42 5 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 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 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 1 1 1 2 1 2 2 1 1 1 1 2 2 2 8 6 16 5 3 2 1 1 1 1 2 3 3 100 53 15 3 2 2 1 1 1 1 1 1 1 1 1 3 3 4 6 4 5 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 t 1H J 50 | 64 63 d 1H J 167 | 62 61 d 1H J 167 | 32 32 td 2H J 49 57 | 16 15 tt 2H J 56 72 | 14 12 m 7H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(COS(C)(=O)=O)(COS(C)(=O)=O)C(=O)OCC
ir: 6 7 12 4 3 9 4 5 5 4 7 3 0 1 1 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 1 1 3 3 0 1 1 0 0 1 0 0 1 0 2 5 3 5 1 4 1 1 1 1 1 6 7 2 1 1 1 1 0 1 1 5 10 11 3 5 9 41 36 4 3 3 4 2 2 1 1 1 1 1 3 9 100 13 7 1 2 1 0 0 2 1 1 2 5 14 15 9 2 1 1 1 1 1 1 6 5 3 13 5 9 11 6 9 2 4 3 1 1 1 1 1 1 1 2 1 1 0 0 0 0 0 0 1 1 1 2 3 3 2 3 27 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 3 2 2 1 1 1 1 1 1 1 1 2 1 4 14 14 7 5 5 3 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; 1HNMR: 45 45 s 3H | 42 41 q 4H J 61 | 31 31 s 5H | 13 12 t 7H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=NOC)c1ccc(-c2ccccc2)c(-c2ccccc2)n1
ir: 1 1 1 2 1 1 1 1 1 1 2 5 2 1 7 2 2 2 1 4 4 2 2 1 1 1 1 5 1 3 7 3 13 4 34 5 3 3 1 0 6 17 11 3 1 0 1 2 1 5 2 1 1 4 44 4 1 2 1 1 1 1 1 1 1 1 5 6 4 10 4 3 1 4 1 3 2 4 3 4 1 1 1 1 1 1 1 1 1 3 3 2 2 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 1 2 4 3 1 1 1 1 1 5 6 4 4 1 1 1 2 4 2 2 3 19 18 21 13 22 34 3 2 1 5 7 2 6 29 13 5 3 1 2 2 5 5 3 1 1 1 1 14 1 1 1 15 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 2 5 15 100 30 5 4 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; 1HNMR: 80 80 d 1H J 77 | 77 77 m 2H | 76 75 d 1H J 77 | 75 73 m 6H | 73 72 m 2H | 40 40 s 2H | 28 27 q 2H J 76 | 13 13 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Cn2ccn(Cc3ccc(CP(=O)(OF)OF)c(Br)c3)c2=O)cc1
ir: 23 28 14 11 13 16 5 7 2 5 1 6 9 35 23 15 5 4 6 2 5 3 2 2 4 4 3 4 3 4 3 2 3 6 9 6 29 100 34 9 3 3 3 3 4 3 6 3 7 5 5 6 7 12 19 16 16 34 11 5 1 1 1 1 1 3 5 22 4 6 4 24 5 1 2 8 6 7 40 16 13 7 2 1 2 2 8 4 3 4 9 9 4 18 16 3 5 8 4 10 10 3 8 22 24 4 1 1 2 1 2 7 6 6 10 31 33 13 12 9 10 7 9 11 4 14 8 9 7 8 1 3 1 3 7 21 26 8 3 1 5 15 4 39 17 5 2 4 10 75 14 96 32 12 13 3 12 9 2 0 1 3 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 5 5 8 4 6 6 5 4 14 27 17 20 34 86 30 17 16 22 11 6 6 8 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 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: 77 77 m 2H | 75 75 dq 1H J 8 16 | 74 73 dq 2H J 9 82 | 72 72 m 2H | 68 68 s 2H | 50 49 dq 4H J 8 75 | 41 40 dtd 2H J 9 26 119 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCC(=O)c1cccc(F)c1
ir: 4 7 8 1 1 1 1 2 5 5 4 3 3 1 0 2 6 1 1 1 1 1 0 1 2 1 1 6 7 8 14 18 100 31 14 5 8 5 3 1 1 3 1 1 1 4 3 16 8 1 1 1 1 1 2 2 2 1 1 1 1 3 2 1 1 1 4 4 4 2 1 0 1 1 1 0 1 0 1 2 2 4 1 1 0 0 0 0 1 0 0 0 1 2 7 2 2 2 2 2 1 0 2 1 1 0 1 1 1 1 2 1 1 1 1 1 0 2 3 5 18 14 13 22 3 7 37 18 7 5 3 4 4 2 1 1 1 1 1 5 6 7 31 17 13 10 40 13 5 20 6 2 1 4 2 2 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 1 0 1 1 1 2 1 1 1 2 2 1 2 2 1 0 3 7 17 8 21 41 33 7 6 3 2 1 1 0 1 1 1 1 2 2 1 0 1 1 1 1 2 3 10 31 16 6 8 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 ddd 1H J 11 21 75 | 76 76 dt 1H J 21 121 | 75 74 td 1H J 50 78 | 73 72 dddd 1H J 12 22 79 100 | 64 64 t 1H J 59 | 48 47 d 2H J 59 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1c(Br)nc2c1C(c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O
ir: 8 9 9 6 7 7 7 8 9 9 10 12 14 11 12 13 8 8 8 7 6 9 9 13 8 8 8 10 9 9 6 7 8 10 8 10 7 9 7 8 7 8 7 10 8 14 15 9 14 6 8 13 35 19 56 22 16 15 9 11 15 14 11 10 13 11 10 13 10 61 30 16 14 14 8 9 9 12 6 6 9 8 7 8 8 14 13 14 29 19 12 9 11 12 13 26 22 8 7 8 8 8 8 8 14 14 38 20 10 24 8 11 15 17 12 11 16 16 16 14 20 18 13 16 15 22 13 17 12 16 29 17 13 13 13 11 10 22 14 11 8 8 8 8 12 9 20 31 10 7 9 7 20 7 7 7 7 8 8 5 10 9 17 20 7 5 6 9 7 6 7 6 6 7 7 0 7 4 7 8 6 6 7 7 6 6 7 7 6 6 7 7 6 6 6 7 6 6 6 6 6 6 6 7 6 6 7 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 7 6 6 7 6 6 7 7 7 7 7 7 7 8 8 14 7 7 9 7 10 16 17 14 21 17 26 21 26 38 59 53 100 56 41 22 33 13 19 18 8 9 8 8 7 7 7 6 6 7 6 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6; 1HNMR: 89 89 d 1H J 13 | 82 82 p 1H J 13 | 74 73 m 2H | 73 73 m 2H | 64 64 d 1H J 8 | 60 59 ddt 1H J 64 108 163 | 52 52 dq 1H J 16 108 | 51 50 dq 1H J 13 161 | 45 45 ddt 2H J 13 28 64 | 27 27 s 2H | 25 24 d 3H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)O[C@@H]1CC[C@@H](n2c(=O)[nH]c3c(Cl)nc(N)nc32)CC1
ir: 11 4 6 4 6 4 6 5 3 4 1 2 2 2 2 1 1 2 2 2 5 4 6 4 2 2 2 2 2 1 2 1 3 2 2 1 3 9 25 16 15 6 5 2 2 2 2 2 1 1 1 1 1 2 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 4 2 3 4 2 2 4 3 5 3 1 2 1 2 2 3 1 2 2 1 2 3 4 4 2 1 2 1 1 2 2 1 1 2 2 2 3 9 14 14 3 3 3 72 100 0 1 3 1 1 1 2 8 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 13 9 2 2 2 3 2 7 1 2 3 4 18 97 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; 1HNMR: 93 93 s 1H | 61 60 s 2H | 48 48 tt 1H J 38 65 | 47 46 tt 1H J 49 77 | 22 20 m 2H | 21 21 s 3H | 20 19 m 2H | 19 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(NC(=O)N2C[C@H](C)N(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C)ccn1
ir: 1 12 3 5 5 4 3 20 29 18 4 8 5 2 1 3 2 2 2 1 3 2 3 12 9 14 7 5 6 3 8 9 4 3 4 3 2 2 3 2 4 21 68 12 8 18 26 6 5 3 2 3 2 1 14 7 8 2 3 5 6 4 2 4 3 3 4 9 8 6 3 11 13 11 16 3 5 6 4 3 6 5 3 2 2 2 21 11 12 5 4 3 3 5 3 4 7 22 41 62 9 3 3 3 5 12 27 7 2 1 3 3 1 6 3 3 2 5 5 8 6 6 10 4 4 5 3 5 9 11 22 11 3 2 3 1 2 4 4 3 3 7 7 3 2 10 11 31 24 11 54 5 25 13 13 5 2 3 2 0 2 5 100 33 5 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 7 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 2 1 1 3 3 2 3 5 3 4 5 9 10 11 7 44 22 14 3 3 1 1 2 1 2 2 2 2 2 1 2 1 1 2 1 4 12 13 27 29 11 9 11 4 3 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 85 m 2H | 82 82 s 1H | 78 78 d 1H J 77 | 77 77 dd 1H J 22 44 | 72 71 dq 1H J 9 20 | 68 68 dd 1H J 21 78 | 44 43 q 2H J 64 | 43 42 qdd 1H J 27 55 75 | 41 41 dd 1H J 32 113 | 39 39 dd 1H J 27 110 | 38 37 qdd 1H J 31 59 77 | 37 36 dd 1H J 55 110 | 35 35 dd 1H J 60 113 | 14 13 m 6H | 13 13 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1cccc(C(=O)OC)n1
ir: 11 13 13 16 7 5 6 3 5 3 1 2 3 4 2 1 3 7 6 1 2 1 3 2 1 1 1 1 1 4 4 1 1 8 10 4 2 2 1 1 2 1 1 3 4 11 79 100 19 18 3 0 1 3 1 1 1 1 1 0 2 3 3 3 5 4 3 1 1 1 1 0 2 2 1 2 2 5 8 10 2 3 3 1 2 8 4 1 1 1 0 0 1 1 2 4 18 4 1 0 1 1 0 1 1 2 2 2 8 2 3 2 2 4 1 3 11 3 12 13 7 2 1 2 2 3 5 16 3 6 15 2 2 0 0 5 8 42 36 2 2 5 10 8 2 2 2 6 5 1 6 2 1 0 5 26 10 5 4 3 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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 1 1 0 1 1 2 1 1 1 2 1 2 2 2 2 2 2 2 4 11 10 5 47 21 13 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dd 1H J 13 77 | 77 76 t 1H J 78 | 68 67 dd 1H J 11 79 | 43 42 t 2H J 73 | 40 40 s 2H | 18 17 p 2H J 71 | 16 15 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(c2ccccc2Br)Cc2cnc(Nc3ccccc3)nc2N1c1cccc2ccccc12
ir: 6 2 1 5 2 4 2 2 3 4 2 3 3 3 1 3 2 19 1 2 1 1 2 8 9 9 14 7 7 6 4 4 5 5 8 3 17 77 15 12 50 82 45 80 14 91 19 12 6 1 2 8 6 3 1 2 1 1 9 5 2 3 3 2 2 1 4 3 8 6 3 2 2 5 2 4 2 2 3 8 4 1 2 2 4 2 3 2 7 1 1 2 8 17 5 13 3 3 7 3 1 7 5 4 45 11 2 2 3 7 1 2 3 1 1 1 1 1 3 2 1 1 0 1 1 3 3 2 3 5 3 3 1 4 21 58 16 37 5 5 15 29 2 4 6 33 10 55 31 16 50 27 6 43 44 5 2 9 25 16 6 12 21 6 7 3 2 0 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 1 3 2 4 39 20 100 53 11 9 12 4 1 2 3 2 0 1 1 1 1 2 1 1 0 1 2 6 4 8 21 52 92 18 8 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 89 89 s 1H | 81 81 t 1H J 9 | 81 80 dt 1H J 10 82 | 79 78 ddt 2H J 14 79 97 | 78 77 m 2H | 76 76 ddd 1H J 13 71 81 | 76 75 m 3H | 74 73 dd 1H J 14 82 | 73 72 m 4H | 72 71 ddd 1H J 15 74 82 | 69 68 tt 1H J 11 69 | 52 52 d 2H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Cl)c(Nc2cc(Cl)ncn2)c1
ir: 1 1 3 5 6 9 2 2 2 4 10 5 2 2 2 2 1 1 1 2 2 7 1 4 22 8 20 2 3 1 2 5 4 4 23 88 32 20 15 1 1 3 3 1 1 2 1 0 1 2 1 1 3 9 13 1 1 2 1 1 1 2 2 3 12 11 13 4 3 5 4 7 4 4 1 1 1 2 1 1 2 2 1 1 4 7 10 2 2 2 1 2 6 5 2 4 12 4 2 2 3 5 4 1 2 2 32 5 16 2 1 1 2 1 1 1 2 1 2 3 16 2 2 1 2 2 3 2 2 2 2 6 5 7 12 10 3 1 1 2 3 29 5 8 4 3 11 6 2 1 4 5 3 1 1 2 4 1 4 27 43 11 6 100 14 6 2 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 4 6 16 23 21 6 4 2 2 2 1 1 1 2 2 1 1 1 2 2 2 2 2 3 4 28 26 24 33 21 10 5 3 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; 1HNMR: 85 85 d 1H J 15 | 79 79 s 1H | 73 72 d 1H J 68 | 71 71 m 1H | 69 68 m 1H | 66 66 d 1H J 15 | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.