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CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)OC(C)(C)C)CC1
ir: 5 7 5 6 9 50 18 3 11 10 53 13 11 5 7 4 11 19 4 8 4 2 3 13 8 6 1 1 3 2 3 5 3 3 23 7 2 3 1 2 2 3 4 2 1 2 1 1 1 3 1 1 1 2 4 4 4 3 3 7 19 5 5 8 3 3 4 6 4 6 9 6 4 2 12 5 3 1 1 2 2 2 2 5 2 1 2 4 2 8 16 10 5 2 3 5 6 6 10 4 2 3 4 3 3 2 4 3 2 3 7 5 0 8 24 15 9 24 35 15 18 14 20 18 8 13 5 5 5 15 13 11 5 3 6 12 6 10 14 10 8 15 5 15 100 4 2 2 1 4 5 79 6 1 3 4 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 4 2 2 4 5 7 4 3 3 5 2 9 24 20 26 8 3 7 20 14 7 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 d 1H J 73 | 66 66 d 1H J 73 | 42 41 m 2H | 38 37 ddd 2H J 33 60 124 | 35 34 ddd 2H J 33 60 124 | 30 29 m 2H | 25 24 d 6H J 79 | 23 23 ddd 2H J 33 60 117 | 21 20 ddd 2H J 33 59 115 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1ccc2c(c1)N=C(N1CCN(c3ccccc3)CC1)c1cscc1N2
ir: 2 2 1 3 1 2 2 3 2 1 2 2 3 2 2 2 4 2 2 4 5 1 2 2 1 2 3 6 4 2 8 5 3 5 10 4 3 2 4 1 9 100 7 4 3 2 1 3 2 1 2 2 2 2 24 7 10 10 13 7 4 3 2 2 3 2 1 2 12 6 6 1 1 1 1 1 1 2 3 5 63 7 2 2 4 2 2 3 2 30 5 1 2 3 1 2 4 4 15 4 36 3 6 3 1 1 1 1 1 2 2 2 1 1 1 2 1 2 1 1 0 8 16 2 1 1 2 1 2 4 7 1 2 3 10 6 3 3 19 2 1 1 2 2 22 10 3 2 3 2 1 16 51 12 4 7 5 1 4 3 1 19 1 2 8 1 1 1 1 0 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 3 7 4 37 26 21 11 13 7 3 6 7 11 28 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 4 20 7 2 2 1 1 1 1 1 1 1 1 1 2 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; 1HNMR: 87 87 s 1H | 75 75 d 1H J 16 | 74 73 d 1H J 16 | 73 72 m 3H | 70 69 d 1H J 79 | 69 69 m 2H | 69 68 tt 1H J 13 77 | 67 66 dd 1H J 21 80 | 65 64 d 1H J 22 | 39 38 m 4H | 33 32 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN(CCCC)c1ccc(C=Cc2cc(C)c(C=O)cc2C)c(OC)c1
ir: 3 6 10 4 9 14 13 12 3 13 12 26 1 9 12 5 0 5 8 4 1 8 12 13 22 9 10 12 6 8 7 2 5 8 7 4 6 17 33 15 4 11 7 4 5 6 10 1 6 8 8 1 18 88 16 21 59 37 25 1 6 13 8 10 26 24 40 47 27 16 27 82 29 26 42 23 20 21 10 5 13 7 5 11 18 54 13 16 16 10 6 7 11 18 13 24 24 17 24 43 24 14 10 11 11 27 17 12 24 17 8 9 14 10 4 12 17 24 1 24 14 12 5 12 6 10 9 10 15 15 16 9 14 24 4 14 13 8 10 9 8 4 10 16 39 3 2 17 55 100 35 28 16 28 28 28 6 9 4 7 8 4 24 15 9 14 5 10 16 8 3 5 5 2 4 6 3 2 4 6 3 1 4 5 3 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 2 2 5 3 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 3 5 3 1 4 5 2 1 4 5 2 2 4 5 2 1 4 4 2 2 5 4 2 2 5 4 1 3 5 4 3 5 9 14 3 5 9 9 10 6 11 10 5 10 17 23 43 87 53 39 83 82 52 27 18 11 8 4 3 5 7 3 3 4 5 4 3 3 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1 3 5 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1 3 4; 1HNMR: 76 76 s 1H | 75 74 dd 1H J 7 79 | 73 72 m 2H | 69 69 d 1H J 159 | 66 66 dd 1H J 22 79 | 64 64 d 1H J 22 | 39 38 s 3H | 32 31 t 4H J 64 | 24 24 d 6H J 99 | 16 15 p 4H J 66 | 14 13 m 5H | 10 9 t 6H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC1(C)OO[C@@H]2C[C@H]1CC(=O)[C@@H]2C
ir: 8 10 17 7 0 8 16 11 4 15 18 7 12 29 16 7 1 15 17 8 2 11 15 10 6 27 20 11 3 12 15 20 12 17 14 4 7 16 11 2 5 14 10 3 7 13 9 0 6 14 10 2 29 34 24 6 9 17 11 4 13 18 10 3 12 20 17 4 42 70 34 22 37 19 7 3 12 14 5 3 11 17 17 15 20 20 17 20 20 14 4 5 13 13 4 11 21 12 2 6 17 21 22 10 15 11 1 12 17 14 6 9 20 10 2 10 21 18 10 25 46 25 9 44 39 23 6 12 20 12 7 25 17 10 7 12 17 28 56 56 48 12 12 24 52 49 19 15 13 4 5 13 11 2 5 13 10 2 7 14 10 2 7 14 9 1 7 14 8 1 7 15 7 1 8 14 7 1 8 13 6 2 9 13 6 2 9 12 5 3 10 12 5 3 10 11 4 3 11 11 4 4 11 10 3 5 12 10 3 5 12 9 3 6 12 9 2 6 13 8 2 7 13 8 1 7 13 8 1 7 14 7 2 8 13 7 2 9 12 6 3 9 12 6 3 9 12 6 3 10 12 5 4 10 11 4 4 11 11 4 5 12 10 4 6 11 10 4 7 14 13 6 8 14 17 13 18 19 19 24 71 78 27 36 100 40 18 21 18 16 12 7 19 22 39 6 11 12 7 4 9 11 6 4 9 11 5 4 10 10 5 4 10 10 5 5 10 10 4 5 11 9 4 6 11 9 4 6 11 8 3 6 12 8 3 7 12 8 2 7 12 7 2 7 12 7 2 8 12 7 3 8 11 6 3 8 11 6 4 9 11 6 4 9 10 5 4 9 10 5 5 10 10 5 5 10 9 4 5 10 9 4 6 11 8 4 6 11 8 3 6 11 8 3 7 12 8 3 7 12; 1HNMR: 59 58 dddt 1H J 10 20 121 172 | 52 52 dd 1H J 24 175 | 50 50 dd 1H J 25 120 | 42 41 dtd 1H J 26 42 49 | 27 26 dd 1H J 64 157 | 26 25 qd 1H J 50 77 | 25 24 dd 1H J 91 157 | 21 20 ddd 1H J 42 70 136 | 19 17 m 2H | 12 12 t 3H J 13 | 11 11 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2cc(CCC(=O)O)c(-c3ccc(Cl)c(F)c3)n2)cc1Cl
ir: 3 4 5 5 7 4 6 8 16 8 6 8 8 8 4 11 12 6 9 14 28 31 50 14 15 7 4 4 4 3 4 4 3 3 4 4 5 8 5 5 5 5 7 7 4 4 5 6 5 5 4 7 5 4 48 49 13 6 5 5 4 7 13 11 4 5 6 13 24 6 4 4 3 3 4 4 5 14 21 10 20 8 4 2 5 4 5 7 7 5 5 4 5 7 5 7 5 10 4 9 3 5 4 21 9 4 4 3 6 4 5 5 14 8 4 5 4 7 4 5 9 31 14 11 7 11 4 4 6 17 8 5 6 4 3 3 3 3 4 3 16 9 17 43 14 12 9 7 15 49 16 10 44 5 9 3 3 3 3 3 4 4 7 3 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 3 2 3 2 3 2 3 3 3 5 5 5 3 4 3 4 4 6 9 11 22 25 43 100 44 11 8 10 6 0 5 12 71 15 2 1 3 4 2 3 3 3 2 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 77 d 1H J 22 | 76 74 m 4H | 74 73 dd 1H J 21 121 | 70 70 d 1H J 84 | 39 39 s 2H | 31 30 td 2H J 9 89 | 27 27 t 2H J 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCOc1ccc(S(=O)(=O)NC(C(=O)OC(C)(C)C)C(C)(C)SCCO)cc1
ir: 14 10 10 16 8 11 7 9 7 11 19 23 7 4 7 12 18 15 3 5 1 3 4 6 3 4 2 2 7 3 3 3 4 24 3 6 5 2 3 5 2 5 13 19 9 11 13 10 5 6 8 7 8 4 20 53 11 16 29 12 6 11 5 5 12 31 9 31 44 87 41 7 5 3 3 4 16 8 7 6 4 6 33 21 53 40 67 51 41 10 17 10 19 17 6 2 5 10 14 15 10 15 38 59 57 34 32 15 14 6 3 6 4 3 3 5 4 6 2 11 7 5 9 10 16 13 8 6 13 7 9 13 2 3 2 3 2 1 1 2 2 2 2 2 64 5 6 38 9 9 6 2 8 2 1 2 1 1 1 2 4 9 2 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 0 0 1 1 0 1 2 1 0 1 2 1 0 1 2 2 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 4 4 5 3 3 3 4 2 3 4 5 4 7 8 16 17 5 40 30 6 7 7 2 4 5 11 100 37 7 4 3 2 2 2 2 2 2 6 10 24 45 12 3 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 0 1 2 1 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2; 1HNMR: 78 77 m 2H | 71 70 m 2H | 64 63 d 1H J 108 | 48 47 q 2H J 25 | 43 42 dp 1H J 16 108 | 37 36 dt 2H J 39 52 | 29 27 m 2H | 27 26 t 1H J 51 | 19 18 t 3H J 25 | 14 14 m 11H | 14 13 d 3H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ccc(Nc2ccc(N)cc2)cc1
ir: 6 7 11 11 11 6 3 3 6 6 2 3 4 3 3 4 3 5 5 7 5 2 2 3 2 2 1 2 2 1 2 2 3 3 2 2 2 2 2 2 2 1 2 3 2 2 2 2 2 1 2 3 3 8 6 33 17 11 2 5 4 2 2 2 2 2 2 2 1 13 2 2 2 2 2 2 2 5 5 6 3 2 2 2 2 2 3 2 2 4 3 2 2 2 2 2 1 4 5 2 1 2 3 2 0 3 37 3 5 3 1 2 2 2 1 2 2 2 2 2 3 2 2 2 2 3 2 2 2 2 2 1 1 2 2 2 1 2 2 2 8 3 2 1 1 2 2 3 3 6 3 3 8 14 12 0 100 74 11 7 2 1 13 5 3 3 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 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 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 2 3 2 2 2 3 3 5 7 9 18 12 3 3 4 2 2 2 2 2 2 2 2 2 2 3 3 5 21 15 10 5 6 6 14 17 5 2 4 7 18 28 9 4 3 3 2 2 3 4 2 2 2 2 2 1 1 2 1 2 2 2 2 2 2 1 1 1 1 1 2 2 2 2 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 70 m 4H | 68 67 m 4H | 63 63 s 1H | 40 40 s 2H | 26 25 tt 2H J 9 83 | 16 15 tt 2H J 67 85 | 14 13 hept 2H J 68 | 10 10 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1[nH]nc(C(N)=O)c1NC(=O)Cc1ccccc1OCCN1CCOCC1
ir: 1 3 2 2 2 1 1 2 4 6 2 1 1 2 1 7 5 8 13 18 27 12 2 17 13 6 6 41 17 9 3 2 2 1 1 2 3 2 1 2 4 10 22 10 13 11 22 19 19 26 27 9 5 7 5 18 21 4 9 6 3 10 3 6 3 6 4 3 3 2 4 5 8 5 3 5 5 2 1 3 3 5 18 3 6 6 5 1 2 1 4 2 2 1 2 2 2 2 2 2 3 4 2 7 23 6 3 2 1 2 3 3 3 5 3 2 0 4 2 3 3 2 3 4 2 2 4 2 2 5 7 5 2 3 4 32 23 11 2 1 2 2 5 3 2 3 8 1 19 9 3 21 11 3 3 3 24 1 4 100 1 3 2 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 2 2 1 1 5 3 2 1 2 3 2 1 1 7 10 0 8 18 7 3 2 1 1 1 1 1 1 1 1 1 1 1 1 2 8 10 1 3 2 5 40 26 10 8 20 22 14 16 91 4 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 96 96 s 1H | 74 73 ddt 1H J 9 19 75 | 72 71 m 2H | 71 71 s 2H | 69 69 dd 1H J 14 76 | 42 41 t 2H J 59 | 37 37 t 4H J 47 | 36 36 d 2H J 7 | 32 31 hept 1H J 60 | 29 28 t 2H J 59 | 26 25 td 5H J 23 44 | 14 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cnn(OC(=O)N(C)c2ccccc2)c1
ir: 2 3 4 3 2 2 4 2 2 5 9 14 6 7 10 9 11 15 8 7 4 4 4 1 4 5 3 2 3 5 8 21 19 51 24 8 2 5 4 3 15 27 16 1 3 5 3 0 1 4 2 1 2 4 3 0 2 5 3 2 6 5 3 2 4 8 15 9 8 8 2 1 4 5 3 1 4 4 4 2 4 4 1 2 4 3 1 1 3 2 0 1 6 9 8 6 4 4 1 1 3 2 1 2 6 3 1 7 9 5 6 3 4 2 1 2 4 2 2 3 4 2 2 13 11 16 9 6 14 4 6 12 4 3 3 5 5 3 1 4 6 4 13 46 35 13 4 5 4 11 84 100 11 4 6 4 3 1 3 9 8 1 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 4 5 1 1 3 2 1 2 3 2 1 3 5 3 4 12 19 13 24 31 37 16 7 7 5 2 2 2 3 2 2 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3; 1HNMR: 79 78 s 1H | 77 76 s 1H | 75 74 m 2H | 74 73 m 2H | 71 71 m 1H | 33 33 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)(c1cccc(Br)c1O)C1CC1
ir: 23 8 4 5 3 7 5 20 11 19 27 25 10 21 38 31 14 5 5 6 5 4 3 2 2 3 5 3 2 2 2 3 3 1 2 12 4 5 35 4 4 9 10 15 3 4 11 11 10 1 2 2 2 2 2 2 2 2 2 3 5 2 2 3 2 2 2 2 2 2 3 2 2 3 3 6 5 2 4 4 5 8 39 26 27 45 52 13 4 10 3 5 19 6 3 3 4 19 10 11 14 17 2 3 2 2 2 7 4 2 1 1 2 2 1 15 11 3 3 3 2 2 1 1 2 1 1 2 2 3 4 3 2 2 2 25 10 4 3 9 4 2 1 2 2 2 3 3 5 10 2 2 2 4 2 3 2 1 4 2 1 2 2 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 2 2 1 1 2 2 1 1 2 1 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 1 1 1 2 2 1 1 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 4 4 6 9 23 13 20 10 10 0 100 90 8 15 16 15 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 74 74 dd 1H J 12 80 | 72 71 dd 1H J 12 83 | 69 68 t 1H J 81 | 64 64 s 1H | 47 47 s 1H | 21 20 dtdd 1H J 15 49 65 80 | 17 16 d 3H J 15 | 11 10 m 2H | 9 8 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1ccc(C(=O)Nc2ccc3oc4c(c3c2)CCCCCC4)cc1
ir: 2 4 3 4 3 2 2 1 1 1 1 1 1 3 2 2 2 5 9 4 2 4 2 2 2 3 2 3 3 2 3 3 8 26 6 2 4 4 6 10 27 93 16 15 4 0 4 5 4 1 3 4 3 15 37 3 5 4 2 2 2 4 2 1 1 1 2 3 17 11 5 2 2 2 1 1 2 2 1 1 1 1 1 0 1 1 1 2 2 2 1 1 2 2 2 1 2 1 1 2 2 7 2 2 5 17 3 1 2 2 4 2 9 8 5 1 2 2 1 3 4 3 5 5 5 4 2 2 2 3 4 2 4 3 1 1 1 1 1 1 5 7 9 100 12 11 3 4 16 4 5 6 8 5 3 37 7 3 1 1 1 1 1 8 45 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 2 2 2 3 1 1 3 18 9 9 12 86 18 7 6 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 4 4 15 31 29 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 98 98 s 1H | 78 78 d 1H J 21 | 77 77 m 2H | 76 76 dd 1H J 22 84 | 75 74 m 2H | 73 72 d 1H J 84 | 29 28 m 2H | 26 26 t 2H J 72 | 17 16 ddt 2H J 71 84 91 | 16 14 m 7H | 14 13 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=S)NC(=O)c2ccc(Cl)s2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O
ir: 5 3 1 7 9 3 3 3 4 3 3 3 5 3 3 9 6 3 2 4 8 3 5 16 6 3 2 7 5 2 2 5 5 2 5 8 4 2 2 5 8 1 2 9 14 60 6 8 11 40 100 8 18 14 12 10 6 0 4 6 4 4 4 5 3 1 4 5 4 2 5 5 5 3 3 4 3 2 3 3 2 2 3 4 2 2 4 7 2 4 3 3 2 4 3 4 6 4 6 5 5 3 5 4 2 9 7 3 2 3 4 3 1 3 7 3 1 4 4 2 1 8 4 2 2 3 7 3 4 5 4 3 4 12 7 2 2 3 4 2 2 4 5 6 3 7 5 3 5 9 10 37 57 15 38 9 3 14 3 1 3 7 3 5 2 4 3 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 3 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 4 4 8 35 22 10 8 4 3 1 3 4 2 1 3 3 2 2 3 3 3 2 3 5 2 4 5 23 49 6 7 4 2 2 3 3 2 2 4 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 3 4 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 3 2 2 3 3 1 2 3 3 1 2 3 2 1; 1HNMR: 80 80 d 1H J 78 | 80 80 d 1H J 26 | 78 78 dd 1H J 22 79 | 77 77 dd 1H J 26 79 | 76 76 m 1H | 76 75 d 1H J 79 | 74 74 d 1H J 68 | 71 70 d 1H J 68 | 24 23 s 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Nc1cc(Cl)ccc1-c1ccccn1)c1ccc(Cl)c(C(F)(F)F)c1
ir: 4 1 3 2 5 4 3 2 4 2 6 9 5 1 2 2 2 3 1 2 2 7 2 1 3 1 1 2 4 2 2 2 3 3 4 21 13 4 10 8 2 4 3 3 7 12 3 6 13 17 8 9 15 100 23 15 6 13 4 0 3 5 2 2 12 15 17 43 13 6 4 3 3 2 2 1 2 2 2 7 6 2 4 4 31 13 4 3 15 18 2 2 3 3 41 5 2 1 3 20 5 24 3 2 2 10 1 2 1 2 1 2 3 3 3 6 4 18 5 11 10 5 6 10 26 7 3 2 2 2 1 2 1 3 5 56 9 1 1 3 5 3 1 3 3 2 1 4 6 2 8 5 4 6 7 3 3 15 3 2 1 4 6 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 2 1 0 3 9 20 44 40 4 4 3 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 5 2 11 28 14 5 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: 86 86 dd 1H J 16 40 | 81 81 dq 1H J 9 20 | 80 79 d 1H J 87 | 77 76 m 5H | 75 75 d 1H J 22 | 73 72 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=NO)c1ccc(Cn2cccn2)cc1
ir: 5 2 2 2 5 10 4 5 5 6 5 2 5 10 12 9 4 4 5 4 3 9 3 6 3 6 5 4 10 3 3 3 3 3 3 3 2 3 3 4 7 2 1 2 1 0 2 3 2 2 1 0 1 1 2 4 3 4 4 6 1 1 3 5 2 1 2 1 1 3 3 1 0 1 1 0 1 1 1 2 4 1 6 10 2 1 0 1 2 9 6 1 1 1 1 1 1 1 1 11 4 6 1 1 0 0 0 0 1 0 0 0 1 0 0 0 1 0 1 1 2 1 2 2 1 1 2 2 2 1 0 1 1 1 1 1 1 2 4 10 27 4 7 5 2 2 7 5 10 8 6 6 9 4 7 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 1 0 1 0 0 0 1 2 1 7 10 5 5 8 3 5 2 8 100 84 3 2 2 3 2 2 3 3 8 15 2 2 2 1 1 1 1 1 1 2 9 13 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; 1HNMR: 75 75 m 2H | 75 74 dt 2H J 8 73 | 74 74 m 1H | 74 73 d 1H J 31 | 63 62 t 1H J 30 | 53 53 q 2H J 9 | 51 51 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc([S@](=O)N=C[C@@H](C)[C@H](C)OC2CCCCO2)cc1
ir: 9 11 8 8 10 24 8 17 19 11 20 18 12 5 3 4 20 3 2 5 4 7 4 9 5 3 4 6 39 5 4 8 8 2 2 4 4 2 2 5 7 13 15 7 7 2 5 8 9 95 17 8 14 16 20 8 5 2 8 7 14 0 6 20 24 74 36 15 7 15 6 13 9 4 12 14 8 8 9 21 11 56 8 7 30 3 6 5 4 6 9 9 46 100 13 7 0 3 6 4 4 3 7 7 13 16 10 15 54 13 22 41 7 9 19 18 4 17 11 11 9 7 18 22 13 13 14 9 17 9 14 4 4 4 4 3 2 4 4 2 3 4 4 5 6 28 67 25 4 3 11 23 35 19 9 0 2 6 4 0 11 6 4 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 3 1 2 4 3 2 7 5 4 4 7 8 5 8 5 12 14 8 8 28 75 26 29 74 24 31 29 14 9 3 4 7 5 2 3 4 3 2 3 4 2 2 4 4 3 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 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 3 4 3 1; 1HNMR: 79 78 m 2H | 74 73 m 2H | 72 71 ddq 1H J 9 20 95 | 48 47 t 1H J 31 | 39 38 m 1H | 38 37 dtdq 1H J 16 47 61 76 | 35 35 ddd 1H J 36 60 109 | 28 27 m 1H | 24 24 d 3H J 10 | 19 18 m 2H | 17 15 m 3H | 13 12 dd 3H J 15 60 | 10 10 dt 3H J 13 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)O)C1
ir: 4 4 3 2 3 1 1 1 3 6 3 5 8 5 6 9 10 2 6 11 8 17 26 6 11 10 9 27 32 23 4 2 1 1 3 2 2 3 2 1 1 1 1 1 0 0 1 2 1 1 1 1 1 3 3 4 1 0 1 1 1 2 3 3 1 0 1 1 1 1 1 3 4 0 1 5 14 9 31 79 15 6 5 1 1 1 1 1 1 1 1 1 0 1 2 2 1 3 8 4 2 1 3 1 3 5 7 29 12 12 15 6 6 2 0 3 2 1 3 6 4 4 4 6 4 3 1 3 2 7 9 5 3 5 5 7 5 3 2 1 4 6 6 19 36 68 51 8 5 58 56 0 2 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 1 0 1 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 1 1 1 1 1 1 3 2 1 3 3 3 2 1 1 2 3 10 27 17 3 2 0 1 1 1 1 1 1 2 3 49 100 16 2 3 1 1 0 1 1 0 1 2 3 7 41 42 12 4 2 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 48 48 d 1H J 86 | 37 36 dtdt 1H J 25 46 60 72 | 24 23 m 1H | 21 20 ddd 1H J 46 59 139 | 19 18 m 1H | 18 14 m 7H | 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)(C)OC(=O)Nc1cc(C(C)(C)C#N)no1
ir: 5 6 9 6 3 4 3 4 4 12 9 4 3 3 3 3 3 3 4 5 2 3 2 2 3 9 13 4 3 3 4 2 2 2 2 2 3 6 9 5 3 2 2 3 7 14 38 27 35 3 3 4 3 3 6 2 3 3 3 2 5 2 6 3 4 3 3 2 3 9 8 7 21 16 34 12 3 2 3 3 3 2 3 2 2 2 2 2 2 2 2 3 3 4 3 3 4 4 4 4 3 2 3 2 2 3 2 9 2 4 10 4 1 3 3 3 3 6 9 8 2 5 6 3 2 3 4 8 11 11 16 6 3 2 3 2 2 10 5 3 2 3 3 2 2 3 4 64 21 16 92 94 14 0 2 6 4 0 12 100 8 9 4 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 10 9 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 2 2 2 2 2 2 3 3 4 7 19 10 6 3 6 19 10 12 5 3 3 3 3 3 3 4 6 2 4 2 3 2 2 2 3 2 8 15 28 57 41 7 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 s 1H | 65 65 s 1H | 17 17 s 6H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1[nH]c2ccccc2c1C(c1ccccc1)c1ccc(OCCN(C)C)cc1
ir: 3 4 3 1 2 2 3 2 2 2 4 3 4 5 4 7 3 1 1 4 18 10 16 8 3 3 5 3 2 3 4 7 5 1 5 3 3 2 4 6 16 17 14 7 4 4 3 1 6 4 2 1 2 2 5 2 6 1 2 1 1 1 3 3 4 3 1 4 6 13 4 1 2 2 1 2 4 5 3 4 1 1 0 1 1 1 7 3 4 2 2 7 8 2 9 3 6 3 4 4 14 3 3 1 2 1 2 11 5 1 1 4 6 2 3 7 7 6 2 1 2 1 2 1 4 2 5 1 1 3 8 1 1 1 1 14 17 3 1 1 0 4 6 36 16 1 2 3 24 17 3 13 10 3 4 1 1 1 0 1 1 4 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 3 6 7 16 100 45 14 3 1 2 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 7 4 6 6 8 4 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 dd 1H J 15 80 | 76 75 td 1H J 12 74 | 74 74 dd 1H J 20 75 | 73 73 m 2H | 73 72 m 5H | 72 71 m 2H | 69 69 m 2H | 65 65 t 1H J 7 | 43 42 q 2H J 64 | 42 41 t 2H J 66 | 29 29 t 2H J 66 | 25 25 s 5H | 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.
Cc1ccccc1CC(=O)Nc1ccc(C(=O)O)c(Cl)c1
ir: 8 2 4 2 3 15 6 5 0 3 3 2 1 4 6 10 8 8 16 19 14 19 58 71 15 7 7 8 3 4 4 4 4 7 18 8 13 7 8 7 16 25 18 30 6 3 2 2 3 4 5 6 9 11 5 20 13 4 3 2 2 3 2 2 2 6 11 36 29 3 5 5 2 2 5 4 5 4 27 10 5 3 3 1 4 4 2 2 4 5 9 9 10 6 3 4 2 2 2 1 5 4 2 3 10 29 1 2 4 4 41 16 13 5 6 9 32 18 7 3 4 2 2 2 3 3 2 2 4 1 1 3 3 2 2 5 6 7 4 5 11 26 31 7 7 28 19 20 96 12 4 4 4 13 100 13 4 1 1 4 3 1 3 25 3 0 1 3 1 0 2 3 1 0 2 3 1 1 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 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 0 1 2 2 1 1 2 3 1 2 4 4 2 2 3 3 2 5 5 6 6 8 7 15 98 61 10 10 4 4 4 2 4 45 34 2 2 2 3 2 4 2 2 1 4 5 3 4 35 19 18 4 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 96 96 s 1H | 79 78 d 1H J 85 | 78 78 d 1H J 22 | 74 73 dd 1H J 21 85 | 73 73 m 1H | 72 71 m 2H | 72 71 m 1H | 36 36 d 2H J 7 | 23 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1cc(C(C)=O)cc(C(C)(C)C)c1
ir: 1 4 5 3 2 3 5 7 4 5 6 11 7 9 7 4 2 4 5 3 5 16 17 5 2 4 15 4 3 4 4 7 12 100 50 2 3 6 4 1 2 5 4 2 3 5 3 1 3 5 3 1 3 5 3 0 3 9 4 2 4 8 5 3 7 16 42 42 13 14 8 6 6 5 3 2 4 5 2 2 4 4 2 3 5 4 2 2 4 4 1 2 4 3 2 3 5 4 2 3 4 3 1 3 5 4 4 26 23 7 9 7 7 5 2 11 10 12 8 8 7 8 10 26 51 52 16 17 29 18 19 12 6 7 11 6 7 3 4 6 6 4 9 32 74 44 19 10 7 3 3 5 3 1 2 5 4 1 2 4 3 1 2 5 5 2 3 5 3 1 3 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 4 3 2 2 4 3 2 3 6 9 2 3 4 3 3 3 5 3 5 5 11 8 23 32 20 25 80 53 10 5 1 4 5 3 2 3 4 2 1 3 4 2 2 3 4 2 2 3 4 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 3 1 3 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 3 3 2 2 4 3 1 2 4 3 1 3 4; 1HNMR: 83 82 t 1H J 22 | 79 79 d 2H J 22 | 26 26 s 6H | 14 13 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(C)(C)NC(=O)Nc1ccc(F)c(-c2cccs2)c1
ir: 0 1 1 0 0 1 1 1 0 1 1 2 2 1 1 1 1 1 3 2 1 1 1 0 1 1 1 1 7 1 2 1 0 1 1 1 1 2 4 6 7 8 24 100 7 2 1 2 1 2 1 3 1 1 4 8 2 1 1 1 2 0 1 1 3 4 9 9 3 1 1 1 1 1 1 2 1 1 3 1 1 1 1 1 4 6 1 1 1 1 1 1 2 1 1 1 0 1 1 1 1 1 3 16 3 6 0 2 2 1 1 1 2 2 16 1 1 2 2 2 4 1 2 1 1 1 5 1 4 2 2 12 2 1 0 1 1 0 0 1 1 3 5 3 2 18 4 2 4 19 21 17 20 20 1 2 2 1 0 1 1 0 1 7 2 2 1 0 0 1 1 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 2 5 3 2 7 4 19 10 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 3 5 22 62 43 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1; 1HNMR: 80 80 s 1H | 77 77 dd 1H J 22 35 | 75 75 s 1H | 74 73 m 4H | 72 72 dd 1H J 79 101 | 71 71 dd 1H J 50 61 | 37 37 s 3H | 16 16 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)NC23CCC(C2)C(O)C3)cc1
ir: 3 2 6 3 0 3 2 3 10 12 3 7 3 2 2 1 0 1 1 0 0 1 2 1 2 1 1 1 1 1 1 4 1 2 1 2 1 2 3 2 5 1 2 3 3 6 8 11 4 3 5 4 51 33 6 7 3 3 1 0 1 2 2 2 10 26 14 3 4 7 3 5 3 4 1 1 1 2 1 1 2 15 10 7 16 13 8 16 25 8 10 6 2 27 46 7 1 2 2 2 1 1 2 1 5 4 8 5 9 11 4 5 3 5 7 8 4 3 2 1 3 3 4 7 9 31 6 9 4 4 2 1 1 0 2 1 2 1 0 1 1 1 1 1 1 2 6 3 2 2 2 2 3 1 1 1 1 0 0 1 3 1 0 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 2 3 3 3 4 4 4 5 2 11 15 19 11 19 6 4 6 4 2 6 100 8 5 2 1 3 2 2 2 2 1 5 10 30 33 13 6 3 2 1 1 1 2 1 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 77 m 2H | 73 73 m 2H | 49 48 s 1H | 39 38 dq 1H J 34 51 | 38 38 d 1H J 33 | 24 24 m 1H | 24 24 s 3H | 21 20 dd 1H J 34 128 | 20 19 m 2H | 19 18 m 2H | 17 16 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C)c1C(=O)OCC(=O)C(N)CC(=O)OC(C)(C)C
ir: 5 1 1 2 1 2 2 2 0 1 3 2 3 1 1 0 1 1 1 1 1 1 0 1 1 0 1 1 1 0 3 1 1 0 1 1 0 0 0 0 0 0 1 1 1 2 6 2 1 2 0 0 1 0 1 0 1 1 1 4 1 3 5 2 4 1 2 2 9 2 1 1 0 0 2 1 19 6 3 1 0 2 3 2 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 2 1 0 0 0 0 0 2 2 2 1 2 1 0 1 1 1 1 2 2 1 1 3 2 3 1 1 1 4 2 1 3 5 5 4 17 7 3 1 1 2 3 1 2 2 15 3 1 1 2 1 0 0 0 0 0 0 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 2 1 1 1 1 1 2 2 3 8 2 1 10 5 1 0 0 0 0 0 0 0 0 0 1 1 5 41 2 1 2 1 3 5 100 3 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; 1HNMR: 73 72 dd 1H J 73 80 | 71 71 d 2H J 76 | 60 59 d 2H J 64 | 52 51 d 1H J 152 | 50 50 d 1H J 152 | 44 43 m 1H | 32 31 dd 1H J 57 174 | 29 28 dd 1H J 57 176 | 24 24 s 6H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(Cl)cc(CCl)c1
ir: 32 7 5 5 6 6 8 3 3 3 4 3 2 3 5 7 6 4 3 2 4 5 6 2 2 3 3 2 2 4 26 26 20 4 3 2 2 3 3 2 3 5 5 0 11 2 2 2 3 3 2 2 2 3 2 2 3 4 2 0 3 7 9 6 11 100 81 27 33 3 3 5 2 1 3 5 3 2 3 3 2 2 3 3 2 3 4 5 2 3 9 14 12 8 3 3 6 4 6 3 3 3 3 2 2 3 3 3 7 7 4 3 2 2 5 12 18 6 3 6 4 2 4 3 5 15 9 6 13 18 4 3 3 2 2 2 3 2 2 3 3 2 2 4 8 16 13 4 2 2 3 9 9 3 2 2 2 2 2 2 3 4 3 3 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 6 3 3 2 2 3 4 3 5 9 10 19 79 37 24 8 6 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 80 79 tt 1H J 9 20 | 77 76 t 1H J 22 | 73 72 tt 1H J 8 21 | 46 46 d 2H J 9 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(Cl)ccc1COC1CCCC1
ir: 1 1 1 1 1 3 3 2 2 1 2 2 2 1 3 4 1 5 3 6 11 21 12 33 26 9 5 1 1 2 2 0 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 1 4 5 3 1 2 3 3 2 1 1 1 1 1 1 1 6 6 4 3 2 2 6 4 10 15 22 9 4 9 4 2 2 3 2 0 1 3 2 1 2 2 1 4 3 4 4 0 1 2 1 0 1 2 1 0 2 4 5 9 5 2 2 2 1 1 1 2 5 4 3 2 3 3 2 1 1 2 1 1 1 1 1 1 2 2 1 2 2 2 1 1 2 2 2 4 12 6 1 2 3 6 5 5 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 3 3 5 7 11 11 4 2 1 1 3 3 10 25 100 38 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 25 | 74 74 dd 1H J 25 83 | 73 72 dt 1H J 9 83 | 47 47 d 2H J 10 | 41 40 p 1H J 34 | 19 18 m 2H | 18 15 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCOc1ccccc1OCc1ccccc1
ir: 2 2 3 3 3 4 11 4 2 4 3 5 4 5 4 3 1 6 10 10 23 95 34 24 10 4 2 7 4 1 4 5 4 2 1 3 3 1 6 11 14 31 18 12 6 6 3 2 2 3 2 2 2 2 1 2 1 1 1 2 2 2 2 3 5 2 6 3 4 6 5 5 5 9 6 5 7 15 37 27 17 8 4 9 8 4 3 5 6 4 3 3 1 2 2 2 5 3 4 4 4 3 3 2 1 1 2 2 2 3 1 5 2 2 4 3 4 4 6 6 3 12 4 5 5 5 7 3 1 2 2 2 3 4 5 5 9 11 5 4 4 14 24 20 16 11 6 9 8 3 4 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 3 3 2 2 2 2 1 2 3 3 1 9 18 20 33 34 7 3 3 3 3 8 11 80 100 53 10 5 0 2 2 1 0 1 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 dq 2H J 10 74 | 74 73 m 2H | 73 73 ddt 1H J 15 60 78 | 69 68 m 3H | 69 68 s 2H | 52 51 t 2H J 9 | 41 41 t 2H J 61 | 26 25 t 2H J 93 | 22 21 tt 2H J 61 93
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2ccc(Br)c(OC)c2)c(N)c1
ir: 6 7 16 13 16 6 4 4 4 3 2 4 5 5 4 4 5 4 5 6 3 2 4 2 4 3 2 2 2 2 2 1 2 2 2 2 2 2 6 5 2 2 2 2 2 2 2 2 2 2 3 3 10 13 18 1 4 3 3 2 2 2 2 5 3 4 4 7 6 4 15 3 3 3 4 3 2 4 17 4 2 2 2 2 2 2 2 3 2 2 2 1 2 2 3 15 3 2 2 2 1 1 1 1 1 1 1 1 2 3 2 1 2 2 1 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 1 1 2 1 1 1 1 1 2 4 2 1 2 2 1 1 2 12 11 13 3 3 10 3 3 4 24 49 4 6 6 1 2 10 30 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 2 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 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 3 4 2 11 44 11 5 2 1 2 2 1 1 2 2 1 1 1 1 1 2 1 15 7 1 2 3 1 1 2 3 0 0 7 29 100 6 0 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 76 76 d 1H J 85 | 74 74 d 1H J 87 | 71 71 d 1H J 17 | 68 68 dd 1H J 18 84 | 68 67 dd 1H J 22 88 | 64 64 d 1H J 22 | 50 50 s 2H | 38 38 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Cl)c2c(F)ccc(O)c2n1
ir: 1 1 1 2 2 1 1 1 3 5 3 2 3 3 2 7 12 20 16 18 14 4 3 4 1 3 17 7 1 3 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 21 43 12 4 1 9 11 1 1 1 3 2 2 6 0 3 7 9 22 3 5 16 4 2 1 5 5 4 6 8 3 3 1 1 2 1 2 2 2 4 5 16 18 3 5 8 3 1 2 2 1 1 1 2 2 11 2 1 1 4 4 2 1 1 1 1 1 1 1 2 1 1 1 4 4 5 2 2 1 0 3 28 11 4 1 1 1 1 1 2 2 13 14 2 1 2 1 1 1 1 1 1 17 15 4 2 0 2 52 18 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 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 2 1 1 1 1 1 1 2 2 2 2 2 1 3 12 28 8 18 6 2 4 1 0 12 100 17 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 s 1H | 73 72 m 1H | 71 70 dd 1H J 48 104 | 70 69 s 1H | 26 25 s 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)CCCCN
ir: 10 2 2 2 1 1 2 3 3 3 2 4 4 11 6 3 1 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 2 5 3 3 4 3 2 0 2 21 20 15 7 2 3 19 14 1 3 3 2 1 2 3 4 2 3 4 3 10 16 3 3 11 8 4 6 2 3 2 1 2 21 14 4 6 4 2 2 1 1 1 1 2 2 1 2 2 2 1 1 1 1 1 1 3 4 5 6 2 1 2 5 8 6 3 2 3 3 7 5 5 4 3 3 2 2 4 6 8 7 14 18 33 35 4 3 4 3 3 3 3 2 4 7 11 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 2 2 3 2 2 3 4 7 11 3 2 2 1 2 1 1 1 1 1 2 2 1 2 4 3 9 22 15 7 3 3 4 4 100 68 2 3 2 1 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 37 36 s 3H | 28 27 m 2H | 17 16 m 2H | 16 15 t 2H J 65 | 15 14 m 5H | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc2c(c1)OC1Oc3c(Br)cc(C)cc3C21
ir: 5 9 15 9 3 3 6 3 3 4 4 4 8 4 4 10 11 14 5 4 3 13 6 6 3 4 12 5 3 4 4 5 5 15 27 16 5 8 8 5 12 5 5 2 6 39 5 3 4 6 5 0 10 45 10 6 4 18 5 6 7 4 7 9 13 9 24 18 9 7 11 25 35 10 77 5 6 3 4 4 4 4 4 4 4 3 3 9 10 22 14 33 18 15 14 8 5 4 6 11 11 5 16 5 5 7 4 3 4 4 4 5 4 10 8 6 6 10 7 5 4 5 4 4 8 14 10 8 13 5 4 5 5 4 3 36 4 5 5 3 4 50 8 4 4 3 14 4 4 13 21 9 10 14 5 4 3 4 3 2 17 17 4 4 3 3 3 4 3 3 3 3 3 3 3 4 4 3 4 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 3 4 4 4 3 4 3 4 5 4 5 4 4 4 5 6 5 5 6 8 13 22 11 14 20 24 72 100 20 20 12 3 5 10 5 5 6 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 73 73 d 1H J 25 | 72 71 m 2H | 69 69 ddd 1H J 14 26 78 | 67 67 m 1H | 64 64 d 1H J 33 | 50 50 dt 1H J 8 33 | 23 23 s 3H | 23 23 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
ir: 4 2 2 4 4 6 6 15 6 10 7 8 6 3 3 4 6 4 6 5 7 13 22 8 9 4 3 5 5 11 21 23 15 4 6 3 6 10 7 56 62 18 5 1 10 14 5 3 3 2 2 1 2 1 1 2 1 1 3 6 2 2 5 16 10 17 30 45 32 16 19 10 4 5 5 1 3 8 15 11 4 3 3 1 2 1 3 3 23 23 12 6 4 3 10 14 6 11 11 5 3 2 2 1 3 3 4 2 2 2 3 8 17 9 2 2 2 2 3 4 6 3 6 7 6 6 5 4 5 8 14 9 20 12 23 55 14 3 2 3 5 22 38 56 20 21 17 5 2 2 2 5 6 6 2 0 1 2 2 2 8 14 2 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 4 2 2 1 3 3 3 4 10 19 26 22 100 77 24 12 8 4 3 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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: 74 74 ddq 4H J 11 55 72 | 74 73 m 4H | 73 73 m 2H | 64 64 s 1H | 53 53 d 2H J 9 | 52 52 t 2H J 8 | 36 35 q 2H J 81 | 33 32 s 2H | 13 12 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2c(nn1-c1nnc(-c3ccc(OC(C)C)c(C#N)c3)s1)CCN(CC(=O)O)C2
ir: 5 4 2 2 2 3 1 5 4 7 12 14 19 12 9 9 6 5 20 19 100 31 10 13 2 7 3 4 2 1 1 3 2 3 3 2 4 1 3 8 7 2 1 1 3 4 2 4 2 2 2 3 8 8 11 7 3 3 1 1 1 1 2 5 4 0 9 5 6 6 1 2 2 1 5 8 8 23 16 10 23 8 3 17 16 20 22 8 2 2 4 5 2 3 4 3 4 1 3 2 5 4 3 2 3 1 2 2 0 1 3 4 3 2 1 2 2 4 7 8 2 5 9 6 3 5 3 5 3 3 3 2 5 9 3 4 2 9 2 1 3 26 9 13 9 4 2 6 4 3 4 3 23 4 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 9 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 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 0 1 2 2 1 1 2 2 3 2 5 8 10 9 28 14 1 1 2 1 1 2 4 39 36 14 2 1 1 1 1 1 1 1 1 1 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 0 0 1 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; 1HNMR: 94 94 s 1H | 81 81 d 1H J 22 | 79 79 dd 1H J 21 85 | 72 71 d 1H J 85 | 47 46 dq 1H J 57 113 | 39 38 s 2H | 35 35 s 2H | 32 32 m 2H | 28 28 m 2H | 26 25 s 3H | 14 13 d 7H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC=C(c2ccc3ccc(=O)oc3c2)CC1
ir: 2 6 6 4 12 8 9 5 2 12 19 28 7 6 5 2 5 3 7 3 0 3 4 5 6 4 4 3 1 4 4 1 1 4 3 17 6 4 3 1 2 7 5 1 2 4 3 0 2 5 2 1 3 5 7 8 5 7 8 1 3 7 3 0 6 11 12 4 8 9 2 1 3 6 2 0 3 4 1 1 3 4 1 1 3 3 1 1 3 4 4 3 4 3 2 2 11 4 3 23 7 4 6 2 6 3 1 3 6 3 0 3 6 3 6 8 12 23 20 12 14 8 3 6 5 4 1 5 6 13 2 8 11 8 2 12 12 2 2 10 5 1 1 4 5 6 4 5 4 6 30 100 7 3 27 5 3 2 15 13 3 1 2 4 5 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 4 4 2 2 3 4 2 3 4 3 2 5 4 4 3 28 16 13 43 49 28 11 3 3 4 3 1 3 4 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 77 77 d 1H J 94 | 76 76 d 1H J 84 | 73 73 m 2H | 63 62 m 2H | 41 40 dt 2H J 10 35 | 38 37 m 2H | 30 30 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.
NC1=N[C@@]2(c3cc(-c4cccnc4F)ccc3F)CO[C@@H](COCc3ccccc3)C[C@H]2CS1
ir: 4 2 4 2 5 10 6 14 11 6 3 4 5 6 5 9 4 3 5 4 10 7 8 11 13 6 8 6 6 5 4 28 8 13 4 14 5 15 12 12 29 10 4 3 4 1 3 3 4 10 2 3 9 8 16 8 2 3 3 1 2 9 6 6 2 4 5 12 6 7 2 4 3 5 3 5 6 3 10 1 2 9 1 1 2 4 1 4 4 2 2 2 2 3 1 1 1 3 1 2 5 3 11 2 4 9 3 2 3 12 4 2 1 4 7 2 2 2 2 2 7 3 5 7 11 9 7 3 4 2 12 32 6 5 2 6 3 3 5 5 6 13 24 8 18 5 8 50 66 18 7 8 4 3 19 4 9 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 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 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 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 1 1 1 1 1 1 1 3 1 2 2 2 1 2 3 3 4 10 9 6 21 28 2 2 2 2 2 2 2 1 3 1 1 1 2 2 2 4 4 62 4 1 2 1 1 2 2 0 0 7 27 100 6 0 0 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 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; 1HNMR: 84 83 ddd 1H J 20 38 51 | 79 78 ddd 1H J 22 38 88 | 76 76 dt 1H J 20 33 | 75 74 m 2H | 74 73 m 5H | 72 71 dd 1H J 75 101 | 58 58 s 2H | 46 45 m 2H | 44 43 d 1H J 104 | 42 42 d 1H J 106 | 40 39 m 1H | 39 38 dd 1H J 47 116 | 36 35 dd 1H J 48 117 | 33 32 dd 1H J 31 129 | 31 30 dd 1H J 58 129 | 23 22 ddd 1H J 35 51 137 | 22 21 tdd 1H J 28 57 77 | 21 20 ddd 1H J 61 78 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1ccc(CBr)cc1
ir: 1 1 1 3 6 7 2 2 3 2 3 1 3 2 1 1 1 2 1 1 1 1 1 1 0 1 0 2 3 1 1 3 2 1 1 9 2 1 1 0 0 1 0 1 1 0 1 0 0 0 1 1 2 6 35 11 4 1 1 1 1 1 1 3 3 1 1 2 1 3 1 1 3 2 6 2 1 1 1 2 13 32 6 2 1 2 1 1 4 0 1 1 2 6 34 4 2 1 4 5 2 1 1 1 2 1 2 8 2 4 3 1 1 2 4 2 1 3 1 1 0 1 1 2 8 7 3 2 1 2 3 2 15 7 9 5 2 1 2 1 1 1 1 1 1 2 100 34 7 1 1 1 6 2 1 1 1 0 0 1 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 1 1 1 1 1 2 1 2 1 2 1 3 5 8 14 9 22 29 12 5 2 2 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 1H | 75 74 m 2H | 74 73 dt 2H J 9 79 | 64 63 d 1H J 159 | 45 45 t 2H J 9 | 42 41 q 2H J 61 | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(C)NCCN(Cc2ccc3c(c2)OCO3)C(=O)OC(C)(C)C)nc(-n2ccnc2)n1
ir: 3 5 9 3 3 4 2 1 1 2 3 2 1 2 3 2 2 2 1 2 1 1 1 1 1 1 1 2 2 3 4 1 3 3 3 2 3 5 10 3 5 5 3 6 2 3 2 2 3 10 8 10 9 7 5 8 4 3 5 5 11 10 9 6 8 40 16 20 14 8 6 3 1 4 3 1 2 2 1 3 4 2 4 10 4 12 9 3 2 4 1 1 3 2 7 4 6 5 11 7 11 8 6 10 14 8 18 12 24 11 9 5 3 6 4 9 5 12 11 25 11 12 16 4 4 7 9 6 11 13 21 8 6 4 3 2 1 1 1 1 2 4 14 4 2 5 4 2 1 3 41 4 3 2 2 0 0 1 1 0 2 4 1 0 1 1 1 0 1 1 1 0 23 4 1 1 1 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 0 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 7 8 4 3 5 6 3 2 3 4 8 6 16 42 28 16 32 40 42 100 28 7 9 2 1 2 1 0 1 1 1 1 1 1 1 3 8 9 2 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 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; 1HNMR: 89 89 t 1H J 17 | 83 82 dd 1H J 17 56 | 77 77 dd 1H J 16 57 | 70 70 m 1H | 69 68 ddt 1H J 8 17 90 | 68 67 m 2H | 59 59 s 2H | 43 43 m 3H | 39 38 dt 1H J 53 73 | 35 34 dt 1H J 53 126 | 33 33 dt 1H J 55 128 | 31 30 dq 1H J 54 130 | 29 29 dq 1H J 54 130 | 25 24 s 3H | 16 16 d 3H J 55 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ncc(Br)cc1F
ir: 2 2 2 5 10 4 2 2 2 2 2 1 2 2 2 4 9 11 3 1 1 2 2 1 1 2 1 1 1 1 2 7 3 2 2 2 2 3 26 29 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 2 2 2 2 1 2 3 6 3 2 2 1 1 1 2 9 15 4 5 5 1 2 2 1 1 2 2 6 8 5 3 2 2 9 3 1 1 2 1 1 2 2 1 2 1 2 3 3 2 0 2 100 1 4 2 0 2 3 2 2 6 4 2 1 2 3 2 12 5 14 24 2 2 2 1 1 2 2 1 1 2 2 1 1 15 10 1 1 2 2 4 2 2 2 12 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 2 3 2 3 3 3 5 3 6 2 2 2 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 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 86 85 d 1H J 19 | 79 79 dd 1H J 16 121 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(c2cnccn2)C1=O
ir: 3 2 1 2 5 2 2 5 21 6 3 3 4 7 3 8 24 11 5 2 2 2 2 2 2 2 2 3 3 7 3 9 12 4 7 4 5 4 7 5 2 2 2 5 2 2 2 12 18 0 4 3 2 6 9 25 4 4 3 3 2 2 4 2 6 13 9 15 4 3 17 10 27 7 3 3 2 3 6 6 17 4 11 5 4 4 4 5 7 5 3 4 2 8 9 5 2 5 8 11 5 2 3 3 4 3 3 2 2 2 2 36 1 4 5 3 1 3 5 5 4 7 9 6 6 10 6 6 4 7 26 8 9 6 3 5 8 20 13 12 6 4 4 5 4 20 23 55 100 3 1 6 6 4 12 3 2 2 9 3 4 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 4 4 1 2 3 8 5 5 9 10 3 57 86 30 10 6 13 4 6 6 6 3 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 d 1H J 14 | 84 83 dd 1H J 14 36 | 83 83 d 1H J 37 | 74 73 m 5H | 73 72 dddd 2H J 11 20 69 93 | 72 72 dt 1H J 13 26 | 57 56 ddt 1H J 78 108 163 | 56 55 m 1H | 52 51 dq 1H J 13 163 | 51 50 dq 1H J 13 108 | 37 36 m 1H | 24 23 ddt 1H J 15 79 146 | 22 21 m 2H | 21 20 dd 1H J 76 135 | 13 12 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)Nc1ncc(OCC2CC2)c(-c2cn(C)c(=O)c3ccccc23)n1
ir: 13 8 6 2 7 6 2 2 1 2 3 3 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 4 5 6 1 3 7 2 9 1 3 6 7 17 25 4 2 3 2 3 5 4 6 2 3 6 1 6 4 5 4 28 15 53 26 6 4 4 2 1 40 8 10 5 2 3 1 2 2 1 1 1 2 2 4 3 5 22 34 34 29 7 6 2 2 2 1 0 2 1 2 2 2 2 3 8 13 12 7 4 5 8 2 1 2 2 0 1 2 3 3 8 2 2 0 1 5 13 6 4 8 30 8 16 16 7 35 6 2 2 2 21 4 42 3 1 10 4 7 99 15 5 3 2 27 2 1 3 2 10 4 2 4 13 4 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 8 1 1 1 1 2 6 1 12 9 3 8 50 7 4 8 3 3 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 2 2 13 100 11 2 2 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1; 1HNMR: 90 90 s 1H | 82 82 s 1H | 80 80 dd 1H J 15 82 | 79 78 q 1H J 9 | 78 77 dd 1H J 16 80 | 76 75 td 1H J 15 78 | 75 74 td 1H J 15 80 | 41 41 d 2H J 46 | 36 36 d 3H J 11 | 35 34 q 2H J 87 | 14 13 m 4H | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1
ir: 2 7 4 4 4 13 16 7 8 5 10 6 5 19 9 7 2 5 6 4 4 3 5 2 7 10 12 3 7 6 5 3 2 7 32 24 10 7 6 17 100 17 16 10 4 2 2 5 7 4 3 5 6 40 22 18 4 2 4 2 2 7 18 3 2 1 18 8 7 9 4 4 4 2 2 1 3 2 8 8 7 3 4 7 11 1 39 22 46 6 3 6 4 2 0 1 3 2 4 8 24 5 2 4 2 4 0 1 2 2 8 5 3 9 4 3 4 2 1 4 5 4 1 13 4 4 11 9 4 2 2 4 3 1 1 8 14 59 35 79 10 7 6 42 32 10 8 68 8 4 27 9 5 7 8 5 4 1 2 2 3 18 4 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 2 1 1 0 1 1 2 7 7 7 11 52 23 14 3 4 2 4 1 0 1 2 1 1 2 4 2 1 2 2 1 2 5 5 15 25 60 13 5 3 3 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 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; 1HNMR: 85 85 d 1H J 20 | 82 82 t 1H J 21 | 80 80 m 2H | 79 78 ddd 1H J 12 22 88 | 77 76 dd 1H J 79 89 | 69 68 d 1H J 84 | 40 39 s 3H | 30 29 m 4H | 16 15 m 5H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1=CC(C)=C(Br)C(=S(=O)=O)C1C
ir: 14 13 14 17 15 14 13 17 18 14 11 27 19 18 95 16 16 25 15 13 13 15 17 15 14 16 23 16 14 14 14 12 18 14 13 14 13 16 21 14 14 15 62 17 16 16 16 14 14 13 16 15 13 14 14 12 14 16 13 7 79 0 15 22 22 65 18 12 14 19 23 18 38 22 26 13 19 100 27 17 12 11 14 14 12 12 14 14 13 13 14 14 14 16 46 65 26 14 16 16 13 13 14 13 12 13 16 34 18 16 14 14 13 14 14 13 14 14 21 15 13 14 13 14 15 19 18 16 24 20 21 16 18 46 25 14 14 14 14 13 15 26 18 15 14 11 11 93 9 17 15 48 16 15 14 12 13 14 13 12 13 14 13 12 13 23 13 12 13 14 13 12 13 14 13 12 13 14 13 12 13 14 13 12 13 14 13 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 12 13 13 12 13 13 13 12 13 13 13 12 13 14 13 12 13 14 13 12 13 14 13 12 13 14 13 12 13 14 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 12 12 13 13 12 13 13 13 13 13 13 13 12 13 14 14 13 19 14 13 12 13 14 14 13 17 16 18 13 14 46 29 31 31 15 13 14 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12 13 13 13 12; 1HNMR: 73 73 dq 1H J 10 20 | 44 43 qd 1H J 18 71 | 37 37 s 2H | 24 24 d 3H J 11 | 12 11 d 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Cn1c2c(c(OS(=O)(=O)C(F)(F)F)cc1=O)C(=O)CC2
ir: 5 5 4 7 4 7 6 3 8 33 0 5 4 5 3 5 1 3 2 2 3 3 2 3 0 4 7 3 4 3 4 2 2 6 6 4 4 4 5 2 2 3 5 2 2 2 2 3 3 3 2 7 21 10 3 1 3 3 2 0 1 5 3 0 5 5 5 5 9 12 20 100 4 19 3 4 1 0 2 2 1 0 3 4 19 77 6 4 3 2 2 2 2 1 2 2 2 5 9 1 1 2 1 1 3 4 6 2 3 4 2 2 2 2 3 4 3 13 6 10 2 5 5 3 2 3 4 6 3 3 6 3 2 2 1 1 1 1 5 2 1 2 2 11 6 19 5 8 1 1 1 1 2 33 1 1 1 1 1 1 1 3 35 23 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 2 1 2 2 3 2 4 4 2 3 2 2 3 2 4 26 9 3 3 3 11 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; 1HNMR: 63 63 s 1H | 47 46 s 2H | 28 27 dd 2H J 50 62 | 26 26 dd 2H J 50 64 | 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)(C)OC(=O)N1CCN(Cc2ccccc2)C1
ir: 6 7 13 13 34 8 24 9 5 14 60 9 1 3 3 1 0 3 2 1 0 1 2 3 1 2 2 1 1 4 13 6 2 3 2 3 3 5 8 27 42 6 5 3 5 2 2 2 2 6 2 1 1 2 2 0 1 1 3 1 1 7 5 7 8 3 2 3 31 11 3 2 2 2 1 0 5 9 25 12 5 2 2 1 5 3 1 3 4 13 3 8 7 4 26 23 9 4 9 3 2 4 5 2 3 1 0 2 1 1 2 6 16 15 19 4 3 4 4 5 6 3 3 4 8 4 3 3 6 6 11 11 42 93 8 47 8 3 3 3 2 1 3 64 8 2 3 2 2 4 25 100 5 1 2 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 2 2 3 2 2 3 3 2 2 2 1 1 2 4 6 9 13 18 18 30 11 4 4 4 2 2 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 2H | 73 73 s 4H | 42 42 m 2H | 37 36 s 2H | 36 35 dd 2H J 30 39 | 29 29 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.
NNC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
ir: 3 2 14 6 4 2 2 3 5 3 4 3 1 1 1 1 1 1 2 1 4 3 5 3 4 4 8 5 2 1 1 1 3 1 4 3 2 2 4 6 30 16 9 9 2 2 1 3 1 2 1 1 1 3 6 18 11 5 2 1 1 4 3 22 17 10 15 8 10 5 1 0 1 1 6 2 1 1 0 0 1 1 1 1 1 3 2 2 6 9 5 1 1 1 2 2 2 3 3 1 2 1 1 2 7 24 4 1 0 0 1 0 0 1 2 1 1 1 1 1 1 1 1 4 10 3 3 1 1 4 1 2 6 32 47 7 5 2 3 3 5 3 14 2 1 5 20 3 4 6 10 5 8 15 4 22 21 1 1 1 2 11 8 5 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 2 5 3 20 42 11 7 5 5 1 2 2 1 1 1 1 2 2 2 33 23 3 5 8 9 4 13 100 40 35 17 16 5 2 1 1 1 1 1 1 1 1 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 t 1H J 41 | 88 88 d 1H J 18 | 82 82 s 1H | 81 81 d 1H J 16 | 76 75 m 2H | 74 74 m 2H | 46 46 d 2H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C=O)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2
ir: 3 3 4 3 4 4 3 4 4 7 7 4 4 4 5 3 4 3 5 5 7 4 5 3 3 3 5 4 10 4 3 4 4 3 4 6 4 4 3 3 3 3 3 3 3 3 3 4 4 4 4 4 5 7 7 5 4 5 3 3 3 3 3 3 3 3 3 7 4 3 3 3 4 5 5 4 3 3 3 3 3 3 3 4 3 3 4 3 3 5 3 4 4 3 3 3 3 3 4 3 3 3 3 4 4 10 5 4 3 3 5 3 3 4 5 4 3 3 3 4 3 4 3 3 5 5 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 5 9 5 3 3 3 3 5 8 14 4 5 22 7 5 4 4 15 3 4 3 8 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 2 3 4 4 3 5 4 4 14 8 7 5 3 4 5 3 0 9 100 12 7 3 1 3 4 3 2 3 4 3 4 7 8 10 9 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 98 98 s 1H | 96 95 dq 1H J 9 49 | 77 77 dd 1H J 11 77 | 75 74 dd 1H J 12 67 | 73 72 dd 1H J 68 77 | 72 72 dt 1H J 15 84 | 71 70 d 1H J 7 | 66 65 m 1H | 66 65 s 1H | 59 59 s 1H | 56 56 d 1H J 78 | 44 43 dqd 1H J 49 59 79 | 37 37 m 4H | 33 32 m 4H | 14 13 dd 3H J 11 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CON=C(c2ccccc2)C2CCCN2)cc1
ir: 1 1 1 2 1 1 2 1 3 3 3 1 1 1 2 5 9 6 5 5 5 2 3 2 2 2 3 6 4 7 29 30 14 7 5 2 3 5 10 11 54 24 11 7 6 5 3 9 5 6 5 4 4 7 7 8 3 4 8 3 3 8 8 4 6 2 10 25 32 17 18 15 4 4 4 1 6 5 10 2 2 3 1 1 2 1 0 2 7 10 2 2 2 2 2 1 3 5 5 2 8 11 8 5 8 6 13 22 37 42 45 19 6 8 30 21 2 5 7 7 4 4 6 13 8 4 3 1 3 2 2 1 2 7 7 11 3 6 3 1 4 15 13 25 18 4 4 2 3 3 2 0 5 8 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 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 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 4 1 2 5 2 2 3 8 10 11 26 100 58 15 10 7 4 4 1 2 2 1 1 1 1 1 2 1 1 2 9 74 12 3 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 m 2H | 75 74 m 7H | 73 73 m 1H | 51 51 s 2H | 42 41 dt 1H J 33 53 | 39 39 dt 1H J 24 53 | 31 31 ddt 1H J 24 45 134 | 30 29 ddt 1H J 25 48 135 | 22 21 dddd 1H J 33 48 64 117 | 20 17 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(F)ccc1OC1CCCC1
ir: 0 1 2 1 0 2 3 1 0 1 2 1 0 1 2 1 0 1 3 1 1 1 2 1 1 1 1 0 1 1 1 0 1 3 1 0 0 1 1 1 1 3 6 2 2 2 1 0 2 2 2 1 5 16 13 16 4 5 3 3 3 3 1 0 7 27 17 41 16 11 4 2 3 8 6 4 2 2 1 0 1 1 0 0 1 2 2 4 3 4 8 4 4 2 1 0 1 1 0 1 3 2 0 1 4 2 3 3 9 8 11 6 5 4 11 4 2 2 2 2 3 3 5 5 4 1 3 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 4 34 3 0 0 2 4 35 15 3 15 17 3 2 1 1 1 1 1 6 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 2 1 1 2 2 4 2 5 3 4 2 4 7 3 7 19 10 15 100 31 5 2 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 69 68 dd 1H J 46 86 | 67 66 m 2H | 48 47 p 1H J 37 | 39 39 s 3H | 20 18 m 5H | 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)c1cc(O)c2cccc(OC)c2n1
ir: 1 1 2 3 7 4 2 2 2 2 1 2 1 1 2 2 3 1 2 1 2 1 2 2 2 1 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 3 8 9 4 2 1 1 1 2 2 2 2 2 1 1 1 1 1 1 3 3 3 8 10 10 8 2 1 1 1 1 3 8 3 2 3 4 13 6 7 2 2 2 2 5 4 1 1 2 2 1 1 1 1 1 1 4 6 3 1 1 1 1 1 2 2 1 1 1 1 2 3 5 2 4 4 3 1 1 2 1 1 1 1 2 2 1 1 2 2 5 1 6 9 2 2 1 1 1 1 2 2 2 3 10 8 10 7 1 1 1 1 1 1 4 2 1 1 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 2 2 2 1 2 1 1 1 2 1 1 1 3 2 5 6 16 12 3 2 2 1 0 3 90 100 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 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; 1HNMR: 80 79 dd 1H J 15 88 | 73 72 m 1H | 71 70 m 2H | 40 40 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.
CCN(CC(=O)O)C(=O)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
ir: 6 9 4 3 6 7 7 6 5 7 14 6 7 9 3 2 3 3 3 8 12 9 57 9 11 4 2 2 3 3 7 3 6 25 2 8 17 17 24 8 20 34 3 1 3 2 3 2 4 10 2 3 2 1 1 3 1 7 2 4 2 3 2 1 1 2 2 2 6 4 4 6 2 4 7 4 3 7 5 82 4 1 3 5 4 5 6 6 3 3 2 2 1 1 3 2 12 3 4 2 3 6 4 6 2 2 1 3 2 2 4 6 5 6 4 12 6 6 2 14 7 8 1 3 2 17 3 19 7 1 4 5 5 4 6 21 3 3 3 7 6 8 7 55 15 11 4 4 4 5 9 100 6 2 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 5 4 2 3 3 2 2 4 6 27 11 9 96 30 5 3 1 2 2 1 6 10 37 2 0 2 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 m 8H | 73 72 ddt 2H J 16 60 79 | 46 46 t 1H J 48 | 42 41 dd 1H J 48 112 | 40 39 dd 1H J 48 114 | 39 39 s 2H | 39 38 ddd 1H J 38 64 117 | 38 37 ddd 1H J 38 64 115 | 37 36 ddd 1H J 37 62 115 | 35 34 ddd 1H J 38 64 117 | 34 33 q 2H J 76 | 13 12 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1C(=O)CC(c2c[nH]c3ccc(C(=O)N4CC5(C)CC4CC(C)(C)C5)cc23)C1=O
ir: 3 3 9 17 4 9 8 2 1 6 12 10 3 4 9 5 2 6 11 7 3 3 5 8 22 21 4 3 3 3 3 9 4 3 3 6 12 9 39 31 41 5 14 32 21 6 4 1 4 5 2 0 4 11 25 25 6 11 10 4 3 9 8 3 11 11 7 21 7 21 11 4 2 4 8 2 3 6 5 2 3 3 4 2 7 3 1 0 4 2 1 3 11 6 2 3 3 2 4 2 4 4 14 6 10 12 2 4 17 9 4 6 7 8 16 8 6 10 8 11 47 19 10 12 13 4 5 9 16 5 14 37 10 15 18 29 10 3 2 4 6 31 2 9 10 3 67 52 45 0 2 32 100 43 15 7 2 2 1 2 2 2 2 22 8 1 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 1 1 2 1 0 1 3 3 2 2 3 5 10 8 4 4 2 9 12 11 6 31 19 26 33 23 6 11 11 6 5 3 1 1 2 1 1 1 1 1 1 1 2 1 2 2 2 1 3 15 50 7 4 3 2 1 1 2 1 1 1 1 2 2 2 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 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 2; 1HNMR: 93 92 d 1H J 71 | 84 83 m 1H | 77 77 dd 1H J 15 76 | 75 74 m 2H | 41 40 m 1H | 40 39 tt 1H J 37 48 | 39 37 m 3H | 37 36 d 1H J 119 | 35 34 d 1H J 119 | 31 31 dd 1H J 55 150 | 28 28 dd 1H J 55 152 | 21 20 dd 1H J 36 121 | 20 19 dd 1H J 48 123 | 18 18 dd 1H J 36 121 | 17 16 dd 1H J 48 123 | 15 15 d 1H J 130 | 14 13 t 3H J 79 | 12 12 d 1H J 130 | 10 10 s 3H | 10 9 s 3H | 9 9 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(CBr)ccc1I
ir: 0 1 2 11 18 2 2 1 1 1 0 1 1 3 3 1 0 0 1 0 0 0 0 1 2 1 1 0 1 1 1 1 2 12 46 32 5 1 0 1 1 1 2 2 1 0 0 0 1 1 1 1 4 40 72 5 5 0 1 1 1 1 1 1 1 5 25 23 9 2 1 0 1 1 1 0 9 0 1 1 1 1 0 0 7 4 1 3 19 90 16 4 1 1 4 20 8 2 0 1 1 0 0 1 1 1 12 12 1 3 2 1 0 1 1 0 0 0 1 1 1 1 2 4 11 4 1 1 1 1 0 0 1 1 1 5 11 1 1 0 0 0 0 1 1 1 9 25 6 1 1 10 16 2 4 1 1 1 1 5 3 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 2 7 4 1 1 1 1 1 2 5 15 25 73 100 24 23 6 6 7 2 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 d 1H J 75 | 74 74 dt 1H J 8 19 | 72 71 ddt 1H J 9 19 75 | 45 45 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)CC1
ir: 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 2 4 5 2 1 1 1 3 1 0 1 2 2 2 2 1 6 12 29 13 7 3 3 1 2 2 2 2 2 4 4 2 2 2 10 8 7 9 10 13 3 2 1 2 1 2 3 1 1 1 2 1 4 3 7 3 1 1 2 2 7 1 1 0 1 1 0 0 0 1 1 1 0 1 0 1 0 1 0 1 1 1 0 1 1 1 1 6 2 6 2 2 4 3 2 2 2 2 1 1 3 5 1 2 2 2 3 5 8 5 6 11 8 7 9 5 1 1 1 1 1 1 1 1 1 2 7 17 100 3 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 3 1 1 2 2 2 4 2 1 1 0 0 0 0 0 0 1 2 2 1 1 2 5 6 8 5 5 4 5 5 14 15 76 29 28 10 3 2 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 57 56 m 2H | 35 34 dtt 1H J 31 60 90 | 33 32 dp 1H J 48 84 | 30 30 tdd 1H J 30 59 95 | 19 18 m 2H | 18 17 m 4H | 17 14 m 14H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nocc2C(=O)N2CC(O)(c3ccccc3)CC2C)cc1Cl
ir: 1 1 2 2 3 4 2 2 3 2 2 3 4 2 3 4 3 2 1 3 4 3 2 2 2 2 1 3 2 3 3 8 5 3 14 2 3 3 2 5 8 14 6 1 2 2 2 2 6 3 1 2 3 5 6 20 7 4 3 1 2 2 5 6 7 3 6 7 17 6 12 9 9 12 23 11 5 7 6 3 3 7 11 4 1 2 2 2 5 3 3 6 4 3 4 11 14 20 3 5 3 1 1 5 4 7 11 6 4 8 7 6 2 5 4 7 8 14 8 11 7 7 7 8 10 9 5 7 14 13 22 14 8 5 4 14 10 3 2 3 4 5 4 4 16 30 3 1 2 2 8 5 6 8 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 2 3 4 3 2 3 4 3 9 7 4 5 7 12 8 10 26 45 100 88 84 9 12 11 2 0 3 8 3 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1; 1HNMR: 90 90 s 1H | 77 77 d 1H J 21 | 76 75 dd 1H J 22 88 | 74 73 m 4H | 71 71 d 1H J 88 | 71 70 m 1H | 43 42 d 1H J 128 | 41 41 s 1H | 40 40 d 1H J 130 | 39 38 m 4H | 25 24 dd 1H J 53 132 | 22 22 dd 1H J 54 133 | 13 12 d 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(Cc1ccc(Cl)cc1)C(N)CC2
ir: 3 2 2 3 3 2 5 2 1 2 4 6 5 6 3 2 3 2 1 2 3 2 2 2 3 1 1 1 4 2 1 1 2 2 2 1 2 4 2 2 2 1 1 1 1 6 3 2 2 3 2 1 11 49 22 37 7 3 5 4 3 9 14 74 50 2 12 29 6 1 3 3 3 0 10 51 24 4 4 15 2 2 8 22 8 2 18 5 4 2 2 3 7 8 13 11 5 2 2 3 1 2 1 2 1 2 4 3 3 3 3 2 2 3 3 12 5 6 3 4 4 7 4 12 10 8 4 5 7 7 16 12 19 65 100 27 6 4 4 2 1 3 6 9 4 1 10 4 8 8 32 6 6 10 8 2 2 1 2 1 1 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 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 2 2 2 1 1 1 1 1 1 2 1 2 1 2 3 3 2 2 2 3 4 3 4 8 10 16 47 77 41 4 4 13 2 2 2 4 2 3 4 8 41 19 24 17 10 3 4 5 4 37 47 5 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 2H | 72 72 dt 2H J 10 79 | 70 69 dt 1H J 9 87 | 68 68 dd 1H J 8 21 | 67 67 dd 1H J 22 86 | 38 38 s 2H | 33 32 dtt 1H J 43 53 62 | 32 31 m 1H | 31 30 ddt 1H J 9 66 141 | 30 28 m 3H | 20 19 dddd 1H J 44 60 86 145 | 18 17 dddd 1H J 44 60 86 145 | 14 13 d 2H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(C=O)ccc1-n1cnc(C)c1
ir: 3 3 1 1 1 1 1 2 2 3 4 1 1 0 1 1 1 4 2 1 3 3 2 6 2 1 2 1 1 1 1 1 1 10 1 2 2 1 3 10 30 6 2 7 7 3 1 0 2 13 7 3 4 7 18 12 3 2 1 2 2 5 2 1 2 5 4 9 8 5 2 1 2 4 5 5 6 3 4 1 2 1 1 1 2 2 4 8 3 1 4 2 3 1 1 2 0 2 5 3 7 26 7 6 5 4 2 2 3 4 23 8 3 10 19 16 10 8 2 5 5 5 6 6 3 5 3 12 4 3 3 1 1 0 1 3 7 1 1 1 1 0 1 8 3 1 0 1 3 18 7 1 1 1 1 1 3 1 0 0 0 0 0 0 0 0 0 1 1 1 0 1 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 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 1 1 8 4 2 1 2 1 3 2 4 3 3 4 2 6 18 24 22 20 100 34 9 7 3 21 5 2 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 s 1H | 79 79 d 1H J 16 | 77 77 dd 1H J 19 79 | 77 76 d 1H J 79 | 75 74 m 1H | 74 73 d 1H J 19 | 42 41 q 2H J 62 | 23 23 d 3H J 7 | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CNC(=O)CCN(C)C(=O)O[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1
ir: 4 6 6 9 4 7 5 11 10 16 15 11 6 7 3 3 8 8 10 8 4 5 1 8 5 11 13 4 14 5 18 16 18 7 11 23 17 12 23 12 36 8 7 3 4 2 3 2 2 2 4 2 3 4 5 2 3 3 3 3 3 2 2 3 5 3 2 3 9 4 6 16 3 3 2 3 3 5 6 3 2 3 7 4 3 2 2 2 7 12 4 3 3 2 3 10 12 7 10 2 3 2 1 2 2 2 2 2 4 6 3 5 6 4 2 5 5 5 6 14 14 16 24 32 30 10 12 9 9 6 5 7 4 17 4 37 10 5 3 2 5 4 31 58 92 85 50 68 11 4 59 39 2 7 3 0 1 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 2 2 3 2 3 5 8 3 4 6 4 4 5 7 9 20 24 31 100 22 11 6 3 3 2 3 3 2 2 1 2 1 1 1 2 1 2 3 6 12 23 23 21 31 16 15 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 72 m 10H | 64 63 t 1H J 59 | 52 51 m 3H | 35 34 t 2H J 60 | 33 32 ddt 1H J 8 75 143 | 32 31 dd 2H J 45 59 | 31 30 ddt 1H J 9 75 142 | 30 30 s 2H | 26 26 t 2H J 60 | 19 18 pt 1H J 46 66 | 9 9 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)OC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
ir: 6 19 9 7 3 10 6 20 16 7 9 16 6 9 10 14 16 48 59 25 8 15 7 7 7 4 4 7 4 4 3 3 3 3 3 4 4 7 11 7 10 5 6 5 6 6 6 5 6 4 5 4 6 5 7 4 6 4 6 4 6 5 11 9 6 7 5 7 5 5 8 7 6 10 11 42 14 9 13 13 6 4 3 5 5 4 4 4 4 6 5 5 9 9 0 100 10 6 7 4 3 4 6 4 5 5 4 8 4 10 8 21 33 16 21 18 11 21 11 11 11 7 16 13 13 25 27 9 6 11 15 13 8 26 20 15 32 27 26 9 6 5 4 8 11 43 35 12 5 6 6 4 4 5 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 5 11 12 6 6 11 9 8 21 10 12 16 22 85 65 21 13 8 6 5 4 54 7 3 4 4 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2; 1HNMR: 59 59 dq 1H J 9 19 | 58 58 dq 1H J 14 27 | 51 51 p 1H J 44 | 39 38 p 1H J 41 | 20 19 m 3H | 19 17 m 5H | 17 14 m 10H | 13 13 s 5H | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nn(Cc2ccc(OC)cc2)c2ncc(C3CC3)c(N3CCNCC3)c12
ir: 3 2 2 1 2 5 3 3 3 3 8 4 21 5 6 5 4 4 3 2 2 4 4 2 1 2 3 3 9 5 3 4 5 3 2 2 4 7 10 7 6 10 45 56 11 5 4 18 6 3 6 6 6 21 49 63 12 5 6 5 11 6 24 30 60 5 5 2 5 21 7 4 2 2 1 1 2 1 1 3 7 2 1 3 16 4 6 9 14 9 9 3 10 8 3 3 9 28 9 5 6 3 3 1 1 3 4 5 10 31 58 19 4 8 5 13 16 18 7 3 4 4 3 3 4 11 5 6 3 16 8 3 2 2 1 5 4 2 2 1 2 5 2 2 2 2 6 9 36 21 9 4 13 4 8 8 3 6 13 77 9 1 8 7 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 3 4 2 2 3 3 4 3 5 4 21 10 17 100 11 8 9 5 6 3 2 1 2 2 1 1 2 2 3 6 4 2 27 80 6 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 82 81 d 1H J 7 | 73 72 dp 2H J 9 71 | 69 69 m 2H | 55 55 t 2H J 9 | 38 38 s 2H | 34 33 m 4H | 31 29 m 5H | 29 28 q 2H J 68 | 19 19 p 1H J 33 | 14 13 t 3H J 68 | 10 9 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CN1CCCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O
ir: 2 1 1 2 3 3 2 3 6 6 9 8 18 16 15 4 7 8 14 15 21 100 11 41 13 5 14 6 7 5 2 7 5 5 4 4 2 4 1 2 2 4 8 7 4 11 8 4 5 3 6 16 28 38 25 11 13 20 9 11 6 2 2 1 2 1 1 4 2 7 6 2 2 3 5 6 4 6 45 42 7 6 4 4 12 7 6 7 3 2 4 2 1 2 2 3 3 5 7 3 2 5 5 1 2 3 3 5 5 4 9 7 5 4 3 2 3 4 7 18 10 15 11 13 4 6 8 3 2 6 5 7 5 5 2 4 3 3 4 2 2 6 8 13 25 9 11 17 17 30 18 7 6 11 5 3 2 1 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 2 3 2 3 1 1 2 1 1 2 4 12 4 30 50 36 6 8 10 5 6 3 10 90 99 36 10 3 0 2 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 74 73 m 4H | 72 71 ddt 4H J 17 86 99 | 42 41 s 2H | 36 35 m 2H | 22 22 m 2H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc3nc(N)sc3c2)CC1
ir: 3 3 3 1 4 4 2 4 4 16 16 10 18 7 14 9 4 4 3 1 2 4 1 2 1 2 1 1 1 1 2 3 1 1 1 1 2 1 11 1 2 2 2 1 2 1 1 2 1 1 1 2 2 0 2 8 3 4 1 1 1 0 1 1 5 6 3 3 2 1 1 0 1 1 0 0 1 4 1 0 2 8 1 1 2 15 7 3 0 0 1 1 0 1 1 1 4 2 2 3 7 2 5 1 1 2 3 2 0 1 1 2 1 1 2 2 1 3 2 3 3 5 13 21 2 2 1 5 2 2 5 4 2 31 1 5 2 2 1 1 0 1 1 8 0 1 1 1 1 7 18 4 32 23 5 6 3 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 2 1 1 4 1 5 5 3 2 6 2 0 2 0 1 1 1 0 1 1 1 0 1 1 0 0 2 17 4 3 3 1 1 2 1 2 3 1 2 8 100 4 2 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 21 | 80 80 d 1H J 84 | 79 78 dd 1H J 21 85 | 53 52 s 2H | 38 37 ddd 2H J 64 91 115 | 34 33 ddd 2H J 64 91 115 | 32 31 p 1H J 74 | 23 21 dddd 2H J 64 74 92 136 | 20 19 dddd 2H J 63 74 90 135 | 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)CCc1c[nH]nc1O
ir: 6 12 3 6 7 6 6 14 16 12 12 8 5 2 1 3 3 3 8 12 15 16 6 6 4 2 2 2 2 2 2 2 2 3 3 2 3 1 2 3 5 5 3 3 7 11 9 26 8 4 2 3 2 2 2 1 2 3 2 2 2 3 2 2 1 2 2 2 2 1 3 3 3 5 6 12 38 4 3 5 15 3 3 3 6 10 4 2 2 2 1 1 2 2 2 1 2 3 2 2 3 4 17 3 3 4 5 12 6 2 3 2 2 3 2 3 4 3 2 2 2 3 2 2 2 1 1 2 2 2 2 3 3 2 3 4 5 28 17 5 4 15 6 6 34 10 4 2 2 14 5 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 3 2 2 2 2 2 1 3 4 3 1 2 2 2 1 6 10 3 0 3 8 90 22 1 1 2 2 1 1 1 1 1 1 1 1 2 2 1 6 100 1 3 3 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 97 d 1H J 37 | 73 72 dt 1H J 9 36 | 42 41 q 2H J 66 | 31 31 tt 2H J 7 87 | 29 28 m 2H | 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.
CCCCCCCc1ccc(C(=O)N2CCc3cc(CN(C)C)oc3C2)cc1
ir: 3 2 4 7 4 14 10 3 5 1 2 2 7 5 4 1 5 2 4 4 2 2 2 2 5 5 3 6 3 3 2 9 33 14 8 8 7 10 13 6 13 7 3 4 3 2 6 3 4 5 2 0 6 11 4 5 7 11 7 3 3 1 4 27 24 4 4 4 3 20 5 13 14 26 14 3 5 17 1 3 2 1 6 2 2 3 6 29 7 3 10 16 4 16 7 2 6 14 26 11 3 4 3 4 1 3 4 8 10 4 4 3 6 3 6 5 3 9 18 10 7 24 100 32 16 48 14 9 14 16 15 7 1 3 1 0 1 3 8 7 3 2 3 11 26 17 9 13 8 11 6 7 4 1 2 34 1 1 0 0 0 1 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 2 2 2 7 9 4 6 3 2 7 5 6 15 16 35 50 100 21 34 13 2 3 3 1 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 73 73 dt 2H J 9 84 | 60 59 p 1H J 9 | 45 45 s 2H | 41 41 d 2H J 9 | 39 38 t 2H J 47 | 29 29 tdd 2H J 9 20 45 | 28 27 s 5H | 27 26 tt 2H J 8 80 | 17 16 m 2H | 14 12 m 9H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(CN)cc(-c2ccc(C(F)(F)F)cc2)n1
ir: 3 5 4 2 1 2 3 2 1 3 5 3 5 10 0 7 4 3 6 8 4 3 3 3 10 12 2 3 2 4 2 2 2 5 3 14 2 4 3 2 3 3 2 2 4 5 6 25 97 11 6 7 5 6 7 89 20 14 27 3 3 5 10 1 31 8 43 47 13 4 8 29 94 10 5 9 5 3 3 8 8 13 3 3 2 3 3 7 2 2 2 5 12 4 13 10 5 3 7 17 15 4 2 2 2 2 2 2 3 17 3 4 66 10 9 4 5 8 7 8 12 10 3 9 10 23 26 9 12 9 13 15 37 65 16 7 9 5 7 6 5 5 7 45 24 4 3 4 5 7 6 4 3 5 6 7 3 3 3 22 55 0 2 4 8 2 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 3 3 1 2 3 2 1 3 4 4 2 7 12 20 29 29 37 8 5 6 3 2 2 6 5 4 5 29 27 22 29 14 10 9 4 8 44 100 10 3 3 4 3 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 80 80 m 2H | 77 76 td 2H J 11 28 | 77 76 p 1H J 14 | 64 64 dt 1H J 9 20 | 41 41 s 2H | 41 40 tt 2H J 9 62 | 15 14 t 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)cnc1Cl
ir: 12 7 5 7 4 4 4 5 11 29 13 6 7 3 3 3 4 10 1 2 3 3 4 7 6 5 4 6 5 8 6 6 15 4 29 21 16 9 8 18 14 8 13 3 3 1 2 3 4 3 3 3 5 4 10 4 2 2 2 4 6 2 2 5 3 10 12 71 12 9 4 11 6 4 2 3 4 1 2 3 3 9 4 5 16 11 4 5 2 17 9 3 4 10 100 18 13 6 63 35 38 6 3 3 4 2 2 3 7 24 64 24 27 41 29 13 11 15 25 38 8 20 27 33 9 35 18 18 27 18 40 18 9 11 10 11 6 4 3 1 1 3 4 6 9 6 4 0 1 10 83 32 10 1 14 17 7 0 1 4 6 4 3 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 3 2 2 2 4 4 2 3 3 3 4 3 7 8 15 13 6 95 43 4 2 4 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 84 p 1H J 13 | 80 80 dh 1H J 8 17 | 79 78 td 1H J 9 22 | 77 77 d 2H J 21 | 55 55 d 1H J 27 | 49 48 d 2H J 7 | 39 38 qd 1H J 28 70 | 12 12 d 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)CN1
ir: 2 3 3 1 2 3 3 4 6 11 11 3 3 7 2 1 1 2 2 3 2 4 2 3 2 7 3 3 3 7 13 8 18 38 5 8 5 19 44 7 23 28 13 25 17 4 9 12 5 3 11 5 3 4 18 13 4 4 2 3 4 6 13 10 32 18 4 7 6 14 3 2 4 8 6 8 9 2 2 2 6 2 2 2 2 1 1 2 3 7 10 8 8 3 11 3 4 5 5 3 4 3 3 4 6 6 42 69 14 14 7 9 8 12 14 3 4 6 6 2 7 8 5 11 15 3 3 4 4 3 3 2 2 1 6 31 6 2 2 2 2 3 7 29 66 26 17 100 16 4 2 3 15 2 1 2 1 1 1 2 2 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 3 3 4 4 4 8 7 3 6 12 17 14 46 32 19 4 1 2 4 1 1 1 2 1 1 2 2 2 3 5 12 45 59 7 24 39 18 9 7 4 2 1 1 1 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1; 1HNMR: 73 73 m 8H | 73 72 m 2H | 68 68 d 1H J 82 | 45 44 ddt 1H J 9 76 83 | 42 41 m 3H | 39 38 tdt 1H J 15 46 59 | 31 30 m 1H | 29 28 m 1H | 28 28 m 1H | 28 27 m 2H | 22 21 dt 1H J 42 140 | 19 18 dt 1H J 60 141 | 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.
COc1cc2c(C)nccc2cc1Br
ir: 2 3 2 6 3 4 3 3 3 1 2 1 1 2 3 12 18 9 14 16 53 55 44 8 3 2 3 4 2 29 6 13 3 2 3 1 2 4 2 1 1 2 1 3 1 1 1 1 3 3 3 6 16 23 6 4 2 2 2 2 4 6 8 3 10 13 57 13 37 18 5 9 41 28 35 48 6 2 3 4 4 3 1 2 5 2 1 1 1 1 1 1 1 4 8 6 2 3 4 16 1 2 3 5 21 8 2 3 11 6 93 6 1 3 1 4 7 10 13 10 1 4 4 3 2 2 3 5 3 5 15 31 19 3 4 4 2 9 16 36 17 4 1 9 43 45 5 6 2 2 1 1 1 10 7 17 5 28 100 24 11 4 1 3 1 1 4 4 11 0 1 2 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 1 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 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 3 2 3 2 1 2 1 1 1 2 2 2 9 6 24 13 13 51 57 46 35 4 4 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 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 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 84 83 d 1H J 47 | 79 78 d 1H J 24 | 76 76 dd 1H J 22 47 | 75 75 s 1H | 38 38 s 3H | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1c(O)cccc1OCC(O)COc1ccc(Cl)cc1Cl
ir: 1 3 4 4 2 3 2 3 1 5 3 2 2 4 5 6 3 3 5 3 4 6 8 6 4 4 6 34 20 17 10 6 4 8 3 2 2 4 3 3 3 3 3 2 2 5 4 7 11 8 3 3 2 2 11 4 3 3 3 1 3 3 4 2 4 4 4 9 7 6 11 1 5 8 4 5 5 8 21 2 9 44 23 17 3 2 2 2 2 2 2 2 4 5 4 4 9 13 57 14 12 7 4 4 3 6 2 3 4 3 2 3 10 4 4 2 3 3 3 3 3 5 4 6 7 3 2 2 3 3 3 3 3 3 5 3 2 2 3 0 23 2 2 6 3 2 2 5 23 5 3 9 4 1 2 2 3 4 7 3 3 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 3 1 2 2 2 1 2 3 2 3 2 3 3 2 2 3 2 3 2 4 3 3 14 8 22 92 20 3 3 50 4 5 3 100 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2; 1HNMR: 74 73 t 1H J 81 | 73 73 d 1H J 21 | 72 71 dd 1H J 21 91 | 69 68 d 1H J 91 | 67 67 dd 1H J 9 81 | 66 65 dd 1H J 9 81 | 43 42 ddd 2H J 55 118 153 | 42 41 m 1H | 41 40 ddd 2H J 56 118 154 | 34 34 d 1H J 62 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]nc(Cl)c2cc(NCc3ccccc3-n3cccn3)ccc12
ir: 6 3 0 4 6 3 1 4 7 17 4 5 8 7 21 21 14 5 3 6 7 4 3 18 17 19 12 12 12 9 5 14 15 2 6 11 8 4 9 15 24 8 17 30 12 1 4 34 76 95 26 11 3 3 5 10 13 3 3 5 4 2 3 5 3 2 5 32 12 8 5 12 7 7 7 8 3 4 10 6 3 3 4 5 3 3 4 5 4 4 25 23 6 5 7 5 2 3 5 4 3 5 6 19 5 5 9 6 7 4 5 5 2 3 9 19 3 4 6 6 8 9 16 30 4 5 5 6 2 5 17 9 31 5 6 4 5 13 11 14 68 27 18 29 16 25 25 13 10 13 10 21 4 13 11 6 4 5 3 3 16 46 7 2 27 13 5 2 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 2 3 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 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 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 3 4 3 2 3 5 4 2 3 5 4 2 5 6 4 3 25 100 36 11 25 33 11 2 5 6 3 3 4 7 4 3 5 5 4 4 6 11 12 35 48 74 54 67 32 10 4 2 6 5 3 3 6 4 2 3 5 4 2 3 4 3 2 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 1; 1HNMR: 81 80 d 1H J 85 | 78 78 m 1H | 78 77 m 2H | 75 75 td 1H J 18 72 | 74 74 ddt 1H J 9 17 71 | 74 73 td 1H J 14 71 | 69 68 dd 1H J 22 84 | 68 67 d 1H J 22 | 65 64 t 1H J 21 | 62 62 t 1H J 46 | 47 47 dd 2H J 8 47
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C
ir: 6 5 6 13 6 4 4 2 0 2 5 3 3 5 3 1 2 4 6 1 4 3 2 2 4 3 4 2 2 2 2 1 1 2 1 1 1 2 4 2 2 2 5 5 2 2 2 3 4 2 5 6 5 8 15 77 23 13 5 0 3 6 2 0 7 10 3 2 4 4 3 1 2 2 3 0 4 4 1 2 2 2 2 2 3 3 2 2 3 2 1 1 2 2 1 3 4 5 1 1 2 2 1 3 5 3 3 3 9 10 4 4 3 2 4 5 5 5 6 6 6 3 1 3 4 1 2 3 2 1 1 2 3 1 3 5 3 2 1 2 3 1 1 2 4 24 2 5 12 62 35 56 3 6 3 1 1 3 6 3 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 2 1 1 1 1 1 1 1 2 2 2 2 3 3 2 3 5 4 2 5 4 3 8 16 5 6 2 2 3 2 1 2 2 1 1 1 2 2 1 1 2 1 1 3 2 2 1 3 3 4 10 32 100 11 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; 1HNMR: 79 79 s 1H | 52 51 tdq 1H J 17 33 65 | 51 50 ddd 1H J 28 43 57 | 42 41 m 3H | 34 33 d 3H J 16 | 31 30 d 1H J 35 | 29 29 td 1H J 18 58 | 28 28 d 1H J 37 | 26 26 dq 1H J 16 71 | 25 24 m 1H | 22 21 m 1H | 21 19 m 2H | 18 17 m 5H | 17 16 hept 3H J 12 | 14 13 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cc1nc(-c2ccccc2)n[nH]1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
ir: 2 4 5 5 11 7 9 12 11 7 8 8 4 5 8 7 9 6 5 3 6 3 1 1 1 4 4 4 5 13 17 13 6 4 5 1 4 3 5 42 24 42 7 5 9 6 5 5 7 1 2 5 5 17 16 9 19 8 23 3 5 10 8 5 8 2 5 5 31 22 6 11 33 9 21 23 10 12 11 12 13 34 12 24 10 21 5 16 9 1 3 10 26 4 5 6 11 11 63 41 34 9 7 3 3 2 25 27 19 17 10 15 15 24 57 24 20 51 32 22 46 17 1 32 39 24 5 6 19 6 3 7 27 4 9 25 25 33 0 8 10 7 47 34 18 31 84 40 24 11 4 6 7 24 5 1 1 1 1 1 6 2 1 6 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 3 1 2 3 3 7 6 14 18 15 50 25 20 16 11 17 13 36 42 100 62 80 93 30 25 14 14 14 7 7 8 14 12 35 49 17 11 4 2 3 4 3 6 8 12 9 44 22 11 11 3 3 3 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 80 m 2H | 75 74 m 3H | 74 73 m 2H | 72 72 ddt 1H J 9 20 82 | 71 70 d 1H J 78 | 37 36 t 2H J 9 | 36 36 dq 1H J 46 77 | 35 35 s 2H | 28 28 ddd 2H J 57 84 128 | 25 24 ddd 2H J 55 82 128 | 20 19 dddd 2H J 47 56 84 130 | 17 16 dddd 2H J 47 56 84 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1c(F)cc(-c2ccc3c(c2)CCO3)cc1Cl
ir: 16 28 11 11 5 6 6 6 5 2 2 3 4 4 2 2 3 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 2 4 3 1 2 4 4 2 3 2 2 1 1 2 2 1 1 3 1 1 1 3 9 6 2 2 3 0 1 1 1 1 2 8 3 21 7 2 3 1 1 2 9 1 1 1 2 1 1 1 1 1 1 3 6 5 2 2 3 1 1 1 1 3 1 4 2 1 1 1 4 1 1 1 1 2 2 1 1 1 2 1 1 1 1 2 2 2 2 1 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 4 16 1 1 2 1 6 2 12 7 3 5 4 5 25 42 3 2 22 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 2 1 2 2 2 6 7 6 10 24 14 7 2 1 2 1 1 1 1 1 1 1 1 1 1 0 2 12 47 1 1 1 1 1 1 1 1 0 3 10 100 3 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 m 2H | 74 73 dd 1H J 21 85 | 72 72 dd 1H J 22 121 | 69 68 d 1H J 84 | 45 44 t 2H J 42 | 44 44 d 2H J 37 | 32 31 td 2H J 8 41
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc(C#N)c(C#N)n1C(c1ccccc1)(c1ccccc1)c1ccccc1
ir: 0 2 4 2 1 3 3 2 1 4 8 5 2 2 4 2 1 3 6 6 4 5 4 2 1 3 4 3 4 3 4 19 8 15 17 6 11 6 5 7 32 19 48 2 5 4 4 1 4 4 2 1 2 4 2 0 2 4 2 1 2 3 2 1 3 4 2 4 5 14 17 6 6 7 5 3 3 5 8 7 4 3 2 3 5 4 1 2 3 3 1 1 3 3 1 2 4 3 2 2 3 3 0 2 3 2 1 2 4 3 3 8 6 5 5 5 8 3 5 5 6 4 2 2 5 4 4 7 3 5 2 4 5 3 4 20 55 5 6 7 5 3 7 13 40 5 7 8 5 1 1 4 6 8 3 4 2 0 2 3 3 1 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 5 6 1 2 1 2 3 2 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 3 1 2 3 3 1 2 4 4 2 2 4 3 1 3 6 6 6 11 14 27 100 54 20 7 3 4 4 5 2 3 3 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 74 73 qd 9H J 17 39 | 71 70 m 6H | 27 27 t 2H J 61 | 17 16 p 2H J 64 | 15 14 h 2H J 71 | 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.
O=c1[nH]nc2c3c(cccc13)NC(c1ccncc1)C2c1ccncc1
ir: 1 4 21 30 20 8 3 3 2 12 5 2 2 2 10 4 16 8 4 5 3 14 9 7 11 2 1 1 2 5 4 10 0 5 2 1 1 2 1 5 1 2 5 5 16 12 61 26 40 100 5 7 3 0 1 1 1 1 1 1 1 1 4 13 2 1 1 1 8 2 8 19 12 12 6 1 2 1 1 1 2 2 7 2 1 2 1 2 10 14 7 9 11 4 2 2 5 4 5 1 4 2 2 5 34 32 7 3 4 3 3 27 4 5 2 1 1 2 6 6 10 16 6 3 4 3 4 3 5 4 2 3 4 4 9 5 3 11 7 2 0 3 5 87 26 12 25 19 7 3 20 1 2 1 1 2 4 36 15 11 15 3 11 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 3 6 25 25 50 11 5 3 2 3 1 2 2 1 1 1 1 1 1 1 1 2 1 2 6 14 33 35 80 26 23 3 4 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 86 m 2H | 86 85 m 2H | 80 79 dd 1H J 12 81 | 75 75 m 1H | 74 74 m 2H | 73 73 m 2H | 71 71 dd 1H J 12 85 | 56 56 m 1H | 51 50 d 1H J 71 | 49 48 dd 1H J 9 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C(=O)Cc1ccc(F)cc1)C1CCNCC1
ir: 4 2 2 2 4 3 2 3 3 6 2 3 4 3 7 9 5 3 1 11 14 4 2 1 1 1 1 4 4 7 10 2 5 5 5 9 35 5 7 10 21 12 8 4 4 1 5 9 12 28 21 7 8 10 8 16 27 10 6 2 4 3 3 1 2 4 2 5 4 23 10 2 3 4 1 1 2 2 1 1 1 1 1 1 1 5 6 3 2 5 3 5 2 4 2 2 9 16 2 2 3 4 3 2 1 2 2 2 1 2 3 7 10 10 25 51 42 41 14 9 9 3 4 9 4 7 10 14 6 17 6 4 5 2 4 5 8 6 5 3 2 2 1 4 2 3 8 28 67 14 3 0 9 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 2 2 4 3 2 3 4 5 7 6 48 5 3 3 4 6 2 2 2 1 1 1 1 1 2 2 1 5 6 70 100 9 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 ddt 2H J 9 35 81 | 71 71 m 2H | 37 37 p 1H J 60 | 36 35 m 2H | 36 35 s 1H | 34 33 q 2H J 79 | 30 29 dddd 2H J 31 42 57 132 | 28 28 dddd 2H J 30 42 59 133 | 20 19 dtd 2H J 29 59 128 | 18 17 dtd 2H J 30 59 128 | 12 11 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccnc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1
ir: 4 3 3 4 4 8 5 17 3 4 4 4 8 4 4 1 1 4 13 4 5 10 6 2 2 3 1 1 2 9 5 7 7 10 15 7 5 6 5 6 15 14 5 10 15 17 6 5 8 5 9 6 3 5 4 14 40 18 5 1 7 18 6 13 9 4 4 7 7 8 4 5 8 11 25 32 10 6 12 10 21 5 16 8 8 8 7 3 4 3 1 1 2 2 5 2 4 7 5 2 3 3 0 4 5 5 3 3 6 4 5 15 8 3 1 2 3 3 3 4 7 9 4 9 10 11 9 17 14 23 36 18 36 18 49 24 12 4 7 11 6 6 15 15 7 2 6 3 3 1 1 2 5 12 14 6 17 12 4 3 1 1 1 1 1 0 1 3 15 2 1 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 0 1 1 0 1 1 1 1 1 1 1 1 2 2 2 0 2 3 2 1 2 2 2 1 2 2 1 3 8 5 15 13 14 7 4 3 3 3 1 1 2 2 3 14 5 22 15 18 6 3 5 15 10 33 100 20 22 13 20 6 4 2 2 2 1 2 1 1 1 1 0 0 1 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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: 91 91 s 1H | 86 85 dd 1H J 21 39 | 82 82 s 1H | 78 77 m 1H | 75 75 s 1H | 73 72 dd 1H J 39 76 | 48 47 m 1H | 44 43 dt 0H J 47 75 | 43 42 dt 0H J 47 75 | 39 38 ddd 1H J 51 132 172 | 38 38 s 3H | 37 36 ddd 1H J 44 132 174 | 30 28 ddddd 1H J 59 66 75 125 142 | 28 27 dd 2H J 37 71 | 25 24 d 3H J 7 | 23 22 dddd 1H J 64 95 106 130 | 21 19 m 2H | 18 17 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCNC[C@H]1Cc1ccccc1
ir: 7 5 3 3 3 3 3 3 3 3 3 4 4 4 4 4 3 4 3 3 3 3 9 5 3 3 3 3 3 5 6 11 10 7 6 4 5 14 11 24 13 3 6 5 11 3 4 3 5 5 10 7 6 12 21 7 4 6 4 4 6 5 3 5 4 3 18 49 10 6 9 4 5 3 3 4 3 2 6 3 2 6 3 3 2 2 3 4 7 3 5 3 2 3 5 5 1 4 36 32 23 7 0 3 7 3 3 7 14 21 81 24 18 12 21 11 21 12 6 4 3 5 4 4 7 6 8 10 19 21 10 6 8 5 5 11 4 4 3 3 3 3 5 11 8 6 7 17 22 3 3 7 5 4 3 3 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 3 4 5 3 3 3 3 4 4 7 11 9 21 23 19 5 4 3 3 3 3 3 3 2 3 2 3 4 3 3 4 23 100 21 5 3 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 79 79 t 1H J 22 | 78 78 d 2H J 22 | 73 73 m 2H | 73 72 m 1H | 72 72 ddt 2H J 9 15 64 | 40 39 tdd 1H J 27 54 81 | 38 37 ddd 1H J 34 54 125 | 37 36 ddd 1H J 35 55 126 | 33 32 ddd 1H J 27 44 121 | 32 31 ddt 1H J 9 80 137 | 31 29 m 3H | 28 27 ddt 1H J 9 81 137 | 27 27 tt 1H J 37 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccc(N)nc1
ir: 6 3 3 5 3 4 3 3 3 4 4 3 3 3 7 10 3 11 5 4 7 5 4 3 4 5 4 6 5 3 3 3 2 2 2 3 3 3 81 12 5 3 3 2 3 4 3 2 3 3 3 3 9 8 4 4 4 4 3 3 3 2 2 2 2 2 2 3 2 6 3 4 3 4 4 3 3 2 3 3 2 2 4 3 2 2 2 2 2 2 3 4 3 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 7 5 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 3 4 19 4 3 3 3 3 8 3 4 3 9 37 11 9 3 11 27 10 4 3 5 51 8 4 14 52 0 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 6 6 3 4 3 3 3 3 3 3 2 2 2 3 2 3 3 3 5 13 18 4 2 2 3 3 2 2 3 4 1 33 100 5 4 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 87 87 d 1H J 19 | 79 79 dd 1H J 19 83 | 75 75 s 2H | 63 62 d 1H J 83 | 55 55 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C=Cc1ccc(I)cc1OCc1ccccc1
ir: 3 2 5 5 22 4 5 12 8 5 4 2 2 1 2 1 2 1 2 1 1 1 1 2 3 1 1 1 1 2 3 4 3 1 2 2 3 3 6 30 39 7 3 6 2 1 2 1 1 1 1 2 6 8 8 3 2 1 1 2 1 1 1 2 4 9 11 18 13 4 3 2 1 1 1 2 1 2 1 6 14 9 9 2 2 2 2 3 3 7 2 1 1 1 7 5 1 4 1 1 1 2 2 2 1 4 5 4 6 1 2 2 1 1 1 1 2 2 2 2 2 3 4 1 2 4 2 6 4 8 6 6 10 3 13 11 8 1 1 2 4 9 11 23 12 36 47 6 5 6 3 7 16 1 2 1 1 1 1 7 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 3 3 8 11 21 20 28 100 48 15 7 3 2 2 1 0 1 2 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 d 1H J 163 | 75 75 m 2H | 74 72 m 7H | 64 63 d 1H J 163 | 51 50 t 2H J 9 | 38 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@H](NC(=O)OC(C)(C)C)c1ccnc(-c2c(N)cnn2C)c1
ir: 18 15 27 15 22 20 51 13 10 11 10 13 3 5 3 11 5 6 6 5 4 6 6 6 16 11 10 17 6 16 26 17 15 13 16 12 3 7 4 3 2 2 3 2 3 6 3 1 2 3 2 2 2 2 2 2 3 4 2 1 3 2 3 7 9 4 4 7 7 28 16 8 7 5 3 2 5 3 2 1 4 4 5 5 6 5 2 1 3 5 7 12 13 12 7 14 5 4 6 8 7 1 0 1 2 3 5 2 6 6 4 7 4 3 4 2 3 4 7 12 9 5 6 4 3 5 5 4 5 5 7 14 4 4 10 8 6 4 8 6 6 3 5 27 34 9 7 6 9 36 60 21 18 8 6 5 2 2 5 13 37 42 45 11 4 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 3 2 3 3 2 1 2 2 3 2 3 7 3 5 12 12 6 10 18 12 7 5 5 6 2 3 6 4 2 3 1 1 2 1 2 9 30 100 16 2 4 5 34 32 17 4 8 8 34 44 51 7 3 2 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 2 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 86 85 d 1H J 44 | 77 76 dd 1H J 7 21 | 73 72 m 1H | 72 71 s 1H | 58 56 m 2H | 51 51 ddt 1H J 12 24 163 | 51 50 m 1H | 49 48 m 1H | 39 39 d 5H J 49 | 28 27 dddt 1H J 14 64 79 157 | 26 25 dddt 1H J 13 64 79 154 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCc1cc(I)c(Oc2ccc(OC)cc2)c(I)c1
ir: 4 4 3 3 3 3 3 2 2 2 4 6 6 3 3 3 3 2 4 3 4 2 2 2 2 3 2 2 3 3 3 3 3 4 4 2 2 2 3 12 4 3 3 7 5 3 3 3 5 2 3 6 8 7 76 76 49 49 16 6 9 10 5 20 6 3 17 22 44 8 4 2 3 4 2 2 2 4 12 6 3 3 2 3 3 13 6 5 34 8 4 2 2 3 2 3 3 2 4 5 4 3 5 3 3 2 1 22 8 2 2 2 1 2 1 2 2 3 2 2 4 6 9 4 5 6 9 6 4 3 2 2 2 2 23 5 2 3 2 2 1 3 3 11 2 5 8 0 100 9 6 9 9 7 3 5 4 0 3 27 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 2 2 2 1 1 2 2 2 1 2 3 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 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 2 2 2 1 2 2 3 1 2 2 3 4 2 4 2 2 3 4 4 2 8 10 56 66 74 10 5 2 3 3 3 1 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 77 76 t 2H J 9 | 69 69 d 4H J 11 | 44 44 t 2H J 9 | 38 38 s 3H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CN1N(C2C3CC4CC(C3)CC2C4)C(=O)C1(C)C
ir: 3 1 1 1 2 4 3 3 4 3 2 2 4 2 5 7 3 2 2 1 1 1 4 2 2 1 0 4 11 5 11 10 2 4 6 25 26 9 15 25 12 20 45 26 9 3 4 4 2 1 4 2 2 0 2 4 5 0 8 6 4 24 4 14 12 4 3 3 4 4 4 4 2 5 8 11 15 6 2 5 1 1 2 1 2 1 1 2 2 6 19 8 11 17 5 6 2 7 1 2 0 2 4 9 25 8 7 6 5 6 11 11 16 9 6 3 7 3 5 7 4 4 7 4 7 4 6 5 10 7 5 7 3 2 5 2 17 22 3 3 2 1 5 4 9 8 4 3 4 58 11 1 50 4 3 4 1 1 2 3 6 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 0 2 1 1 3 2 2 3 3 8 4 6 5 8 6 9 7 7 33 14 19 100 21 5 6 3 1 2 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 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 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 73 73 ddt 1H J 9 17 81 | 72 72 td 1H J 17 75 | 70 69 ddd 1H J 11 77 84 | 68 68 dd 1H J 10 75 | 43 42 m 3H | 38 38 s 2H | 24 23 h 2H J 61 | 19 18 m 7H | 17 16 dt 7H J 60 127 | 14 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C2c3c(C)c(N4Cc5ccccc5C4)c(C)c(C)c3OC2(C)C)cc1
ir: 6 3 4 5 3 6 5 12 2 4 3 8 7 9 2 1 3 1 0 1 1 0 0 24 0 1 1 1 0 3 1 0 0 1 1 2 1 1 3 4 4 34 11 7 4 6 3 7 2 2 2 5 21 34 10 16 3 1 1 0 2 2 8 4 3 3 4 6 8 16 2 1 1 3 2 4 2 4 1 1 2 11 3 2 2 3 7 9 10 7 4 2 2 3 9 15 55 10 8 5 3 4 7 2 3 2 1 1 1 5 3 2 3 3 3 2 2 5 9 6 11 3 8 7 11 5 2 6 5 16 14 5 3 3 10 6 12 100 7 10 4 3 2 1 1 2 4 5 41 30 2 2 9 1 1 2 1 0 4 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 2 6 4 3 2 2 4 3 3 3 9 3 5 5 15 24 13 54 44 49 10 6 6 4 3 4 3 3 3 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 m 2H | 71 71 m 7H | 46 46 d 4H J 9 | 42 41 ddt 1H J 11 23 31 | 23 23 s 3H | 23 23 s 3H | 22 21 s 3H | 21 21 s 3H | 15 15 d 3H J 16 | 14 14 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)c1cc(Cl)nc2[nH]nc(I)c12
ir: 11 11 14 20 12 12 15 16 11 11 12 11 10 11 20 17 11 11 11 11 11 13 12 11 11 11 11 11 14 17 11 10 11 11 11 10 11 13 20 13 11 11 11 11 14 12 11 10 11 12 12 10 11 12 11 16 100 17 12 12 11 11 11 11 11 12 13 13 11 11 11 11 11 11 11 11 11 11 11 11 16 17 11 11 14 14 11 11 12 11 11 11 13 11 10 13 28 47 22 13 9 11 15 15 12 12 15 14 8 11 18 14 91 94 0 11 16 11 8 11 14 24 22 12 36 33 10 11 12 11 10 11 12 11 11 12 12 11 11 12 17 13 11 11 11 11 11 11 11 11 11 11 11 10 11 11 11 11 11 12 14 11 11 12 11 10 11 11 11 11 22 28 11 10 11 12 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 11 11 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 11 11 11 11 11 11 11 11 11 11 11 13 12 11 11 13 18 15 13 12 11 11 11 11 11 11 11 13 12 11 11 11 11 10 11 14 62 70 15 20 14 11 11 11 11 11 11 12 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11; 1HNMR: 100 100 s 1H | 74 74 s 0H | 74 74 s 0H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC(=S)Nc1ccccc1-c1ccccc1F)c1ccccc1
ir: 0 3 4 3 1 3 4 7 2 3 5 4 2 11 4 3 1 3 4 2 3 6 11 4 2 3 5 3 3 7 8 10 5 11 5 2 2 5 4 6 9 22 49 100 7 19 10 2 9 5 11 74 16 8 4 3 3 3 2 2 2 4 2 1 2 4 2 1 3 4 2 1 4 5 4 12 6 3 3 2 3 4 2 3 4 3 2 2 3 3 1 2 4 4 1 4 12 5 6 4 4 3 1 2 5 4 1 2 3 2 1 2 4 3 3 2 4 3 2 4 4 12 5 3 4 2 1 3 3 2 2 4 4 6 7 5 7 9 2 3 3 18 55 12 7 7 10 28 17 23 9 82 7 2 16 10 3 2 3 3 3 3 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 3 3 3 2 4 9 14 100 29 10 7 7 3 4 2 2 2 3 2 2 3 3 2 2 3 3 3 3 4 11 20 36 71 15 8 4 8 5 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 78 77 m 3H | 76 75 m 5H | 74 73 m 6H | 73 73 dd 1H J 16 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Br)cc1[C@H](C)C(=O)O
ir: 2 1 2 2 2 1 0 2 3 2 0 7 11 10 0 4 7 14 7 11 100 36 23 11 5 5 1 2 2 0 1 2 1 0 1 2 3 4 1 2 2 1 0 2 1 2 1 2 1 0 1 2 5 11 11 8 3 0 1 3 1 1 2 3 2 1 4 5 3 2 2 4 1 5 8 7 30 28 31 26 4 4 4 5 7 7 3 2 2 1 3 1 1 1 2 2 3 2 3 1 0 1 2 4 1 1 1 1 0 1 4 6 3 5 5 2 4 3 4 2 2 1 3 1 3 3 6 2 2 4 3 2 1 1 1 1 1 1 1 2 3 3 20 15 3 3 2 1 1 4 4 1 5 5 1 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 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 2 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 1 1 1 3 1 2 2 9 6 4 11 26 12 3 2 2 1 1 2 3 13 22 16 4 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 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 dd 1H J 7 21 | 74 74 dd 1H J 22 84 | 69 69 d 1H J 85 | 41 40 m 1H | 38 38 s 3H | 15 15 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C2OCCOC2CBr)cc1
ir: 1 1 1 1 1 1 1 0 1 3 5 2 1 3 5 4 1 3 3 4 2 1 1 5 6 0 1 1 1 3 2 0 0 2 2 1 0 0 0 0 1 1 1 0 0 0 0 1 1 0 1 3 7 10 31 20 6 3 2 2 3 6 6 4 5 15 1 1 2 10 5 2 15 9 1 1 2 2 2 2 0 0 0 0 0 0 1 2 3 9 0 0 3 4 1 0 6 12 7 1 0 0 1 1 2 5 9 3 1 1 1 1 2 2 1 1 2 2 3 3 4 1 1 2 4 3 3 6 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 14 15 15 10 2 3 5 1 1 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 2 2 3 1 1 1 2 1 4 4 9 6 22 100 25 3 2 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 69 68 m 2H | 49 48 m 1H | 44 43 dt 1H J 29 59 | 40 39 m 2H | 39 38 m 1H | 38 38 m 1H | 38 38 s 3H | 37 36 dd 1H J 29 112 | 35 34 dd 1H J 28 113
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc(OCCCBr)cc1
ir: 1 1 4 3 2 2 1 3 1 2 2 5 7 14 11 6 5 10 10 12 15 57 77 78 24 3 4 4 2 3 6 2 5 9 7 2 1 1 1 1 2 2 1 1 1 1 1 1 1 3 3 2 4 13 18 23 25 3 1 4 1 0 1 3 5 0 3 3 3 4 3 2 1 7 17 19 8 10 61 45 12 3 1 2 1 2 2 5 4 3 3 1 1 0 2 2 1 1 2 1 0 1 1 1 1 4 2 1 0 1 1 1 2 3 6 11 14 4 4 2 3 5 3 2 2 5 10 2 0 1 2 1 0 1 1 1 1 1 1 1 1 4 22 21 7 3 2 2 4 9 11 8 4 4 1 0 1 1 1 0 0 2 3 3 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 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 2 1 0 3 7 8 8 15 20 38 7 3 3 2 1 2 4 7 100 10 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 79 78 m 2H | 70 70 m 2H | 41 41 t 2H J 54 | 36 36 t 2H J 50 | 25 24 p 2H J 52
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(CN)nn1
ir: 1 1 0 0 0 1 0 1 2 2 0 1 1 1 1 1 1 0 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 2 1 1 1 1 1 1 1 1 3 5 3 15 22 17 7 3 11 10 20 5 7 5 12 7 5 3 1 2 3 1 1 1 2 6 9 6 22 31 28 13 5 5 5 5 5 12 4 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 0 1 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 1 5 5 5 5 5 8 12 42 14 11 9 12 4 2 4 3 1 3 7 8 1 1 2 3 7 2 1 1 1 1 2 3 2 3 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 0 1 1 2 1 1 1 1 0 1 4 9 8 8 6 2 1 1 2 1 1 2 3 2 1 8 7 13 4 2 5 3 3 8 64 100 21 2 2 2 2 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 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; 1HNMR: 77 76 dq 1H J 9 80 | 75 74 dt 1H J 9 79 | 41 41 td 2H J 9 67 | 26 25 d 3H J 7 | 23 22 t 2H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N(CCCSc1ccncc1)Cc1ccccn1
ir: 7 5 0 10 4 6 12 12 11 21 37 28 9 6 8 6 7 6 10 7 7 8 7 6 6 4 4 6 11 29 24 15 15 21 16 63 18 14 21 22 8 8 10 8 7 6 7 7 9 2 6 9 21 28 26 8 8 7 7 6 4 8 12 12 17 4 6 7 10 36 93 8 30 16 11 7 6 7 6 10 11 12 10 6 30 22 16 7 1 22 12 4 4 4 5 5 3 6 9 7 6 5 6 5 5 6 12 8 26 14 11 16 16 10 9 8 13 14 13 13 9 8 8 5 5 10 23 25 10 11 13 11 12 11 12 23 40 35 73 29 10 11 7 6 12 10 29 88 69 5 5 8 8 12 9 7 81 60 19 6 9 8 4 4 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 4 4 5 5 5 5 7 6 5 8 12 7 3 7 7 6 5 16 18 35 25 31 43 100 24 10 6 5 4 4 4 4 4 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3; 1HNMR: 86 86 m 2H | 85 85 dd 1H J 17 41 | 77 77 td 1H J 17 76 | 73 72 m 2H | 71 71 m 2H | 44 44 d 2H J 7 | 34 34 t 2H J 58 | 30 29 t 2H J 67 | 21 21 s 2H | 19 18 tt 2H J 58 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1ccc2c(c1)CCc1ccccc1/C2=C\C#N
ir: 4 3 2 3 9 7 7 6 7 7 5 3 3 4 5 9 4 3 2 4 4 4 3 2 3 4 4 3 3 2 2 2 2 3 4 5 4 9 3 3 3 4 36 16 4 3 3 1 3 4 3 2 2 7 90 100 8 0 3 6 2 3 4 11 19 15 16 20 9 5 4 10 6 7 11 4 3 5 3 2 3 6 7 7 11 14 10 28 40 65 47 18 12 10 4 5 4 4 4 3 4 2 1 2 8 3 1 2 2 3 3 5 5 3 5 8 5 11 8 12 12 3 3 2 8 7 7 8 15 20 7 3 3 4 5 3 4 36 32 11 20 16 9 19 2 2 2 3 50 7 38 4 8 5 5 4 3 2 1 2 2 2 3 2 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 1 1 5 7 1 1 2 1 1 2 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 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 1 1 1 1 2 2 2 2 2 3 2 2 2 3 3 5 7 3 2 3 3 6 24 19 37 38 48 69 21 6 4 6 4 6 26 10 2 5 3 2 2 2 2 1 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 dt 1H J 8 86 | 74 74 d 1H J 86 | 73 72 m 4H | 71 71 t 1H J 9 | 61 60 s 1H | 49 48 m 1H | 30 29 m 4H | 24 24 d 1H J 49 | 15 14 d 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCCC(=O)N(C)Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1
ir: 5 5 3 7 3 4 3 2 2 2 1 7 2 7 6 9 3 14 2 2 2 4 6 9 4 3 17 6 2 2 8 5 17 16 8 7 10 11 9 5 4 5 4 7 9 19 60 71 8 10 7 3 8 18 15 21 14 5 4 2 4 5 3 2 3 4 4 1 3 6 6 3 3 3 1 1 3 5 3 1 3 2 1 1 1 1 2 2 11 10 4 4 8 4 2 4 4 6 6 7 5 8 6 13 17 4 1 5 5 9 1 17 15 17 6 7 13 12 3 25 13 12 6 5 14 4 1 4 5 5 5 6 6 7 3 7 4 4 2 5 19 46 36 11 31 11 31 50 8 6 2 6 6 6 2 9 9 16 100 27 4 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 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 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 2 5 3 7 4 3 2 5 6 8 17 18 7 30 60 27 6 5 4 2 2 1 1 1 1 0 0 1 1 1 0 1 2 1 0 2 4 0 92 6 2 4 3 0 1 1 1 1 2 5 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 m 4H | 75 74 t 1H J 79 | 73 72 ddt 3H J 10 84 209 | 49 48 t 1H J 52 | 45 44 t 2H J 9 | 37 36 s 2H | 34 33 ddt 1H J 9 52 138 | 31 30 ddt 1H J 9 52 138 | 29 29 s 2H | 24 24 t 2H J 79 | 23 22 t 2H J 85 | 17 15 m 5H | 14 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc2c(C(C)O)n[nH]c2c1
ir: 4 1 2 3 4 41 10 14 10 2 0 2 2 1 2 2 3 3 3 2 1 3 5 2 3 1 1 4 1 0 1 4 60 4 1 2 4 23 4 0 1 5 1 1 1 1 0 1 1 1 0 0 1 1 2 14 3 0 1 1 0 0 1 1 1 1 1 6 17 3 4 10 2 1 2 5 1 2 1 1 1 1 4 4 12 6 14 61 16 10 7 5 1 1 1 1 3 16 1 0 1 1 1 1 3 12 4 2 28 23 4 4 3 10 0 1 4 3 2 3 1 1 1 1 1 2 3 3 1 1 2 4 1 1 0 13 1 1 1 0 1 1 3 50 1 19 11 1 1 5 1 1 1 1 4 0 6 0 0 0 0 0 0 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 0 0 0 0 0 1 1 2 1 1 4 4 4 4 47 5 3 1 1 1 4 3 100 3 2 1 1 0 1 0 0 0 1 1 0 1 2 1 1 4 43 25 10 1 1 2 1 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 d 1H J 21 | 81 80 d 1H J 88 | 79 79 dd 1H J 21 87 | 53 52 qd 1H J 51 64 | 45 44 d 1H J 49 | 39 39 s 3H | 16 16 d 4H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC/C=C\C(=O)O
ir: 3 2 1 2 3 11 4 23 13 3 2 4 4 3 1 3 4 2 1 7 19 37 16 35 35 12 6 4 6 6 4 4 3 2 3 2 2 1 2 4 3 2 4 7 11 4 6 11 7 6 4 3 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 2 2 3 4 37 37 42 13 1 3 3 2 4 5 6 2 3 3 3 2 2 3 4 2 3 3 2 1 2 3 2 1 2 3 5 5 6 7 4 4 4 4 2 2 4 5 3 2 2 4 4 3 5 3 2 2 3 5 7 5 8 7 3 2 2 3 2 4 8 12 16 15 6 3 2 1 3 2 1 1 3 2 1 2 2 6 5 11 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 3 2 2 3 3 1 2 3 2 1 5 10 8 6 6 8 6 1 3 4 2 0 4 28 100 72 61 7 3 3 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 64 63 dtt 1H J 9 56 100 | 59 58 dt 1H J 15 99 | 23 22 tdd 2H J 15 56 82 | 14 13 m 5H | 9 8 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1ccc(-c2c(F)cc(Nc3n[nH]c(N)n3)cc2Cl)cc1
ir: 14 19 5 3 4 3 4 7 6 6 7 36 17 7 25 10 5 9 9 5 4 7 9 5 3 6 6 5 2 3 4 4 2 4 4 3 4 6 4 2 2 4 3 2 2 3 3 2 2 3 3 2 3 4 38 17 9 7 4 2 5 6 4 4 25 12 12 27 29 21 3 4 4 3 4 9 21 7 18 7 7 8 5 7 100 25 4 5 15 7 6 5 5 4 7 4 7 12 46 17 4 26 8 4 15 18 12 13 14 4 2 18 1 2 3 3 4 4 13 18 13 32 15 18 9 5 3 3 8 5 28 6 5 7 3 3 3 2 2 3 3 3 2 4 7 10 40 26 15 8 5 3 4 2 2 5 5 1 2 4 6 0 1 64 2 3 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 3 3 2 2 3 2 2 2 2 2 2 2 3 3 2 2 3 3 2 4 4 4 2 3 3 2 2 2 3 3 4 4 18 37 13 9 15 55 87 15 11 6 3 3 6 3 3 7 15 58 8 6 5 4 5 7 18 71 3 6 7 5 16 16 15 8 5 15 24 3 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3; 1HNMR: 88 88 s 1H | 79 79 m 2H | 78 77 dq 2H J 17 92 | 75 74 d 1H J 22 | 71 70 dd 1H J 22 121 | 69 69 s 2H | 33 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1)CCOC
ir: 3 2 4 6 1 2 2 5 1 2 4 3 3 2 1 1 2 1 5 10 4 4 3 8 1 1 1 0 0 1 1 1 0 2 4 6 2 1 1 0 1 2 1 2 2 2 1 2 2 2 2 5 4 9 30 23 3 5 5 4 2 2 1 2 8 9 13 9 11 8 10 14 3 2 1 1 2 2 5 5 2 2 8 17 5 4 3 8 20 3 1 1 8 3 1 2 2 2 1 2 3 3 1 3 3 1 2 1 3 2 1 3 4 2 1 1 3 3 3 4 6 6 6 7 48 35 6 3 1 2 2 2 1 2 11 51 7 1 1 1 2 1 5 1 1 1 1 10 7 1 3 6 7 6 2 1 1 1 1 1 1 6 6 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 3 2 2 3 2 1 1 2 2 2 15 4 29 100 70 9 4 2 1 1 3 1 0 0 1 0 0 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 81 80 d 1H J 84 | 77 76 d 4H J 9 | 73 72 d 1H J 23 | 69 68 dd 1H J 21 83 | 40 40 t 2H J 60 | 35 34 t 2H J 56 | 33 33 s 2H | 26 25 m 6H | 18 17 ttd 2H J 10 61 77 | 17 16 m 2H | 11 10 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C(=O)OC)c1cc2c(cc1OC)CCC(=O)N2C
ir: 15 4 4 5 3 5 3 7 4 7 9 2 1 2 3 3 3 4 2 2 1 2 2 1 1 2 3 1 1 2 4 4 5 18 13 1 2 1 2 3 1 1 1 0 1 1 1 0 3 3 2 1 1 2 1 0 1 2 1 0 3 3 15 1 32 0 4 8 8 16 4 5 5 5 12 4 2 1 1 2 3 2 2 1 1 1 0 1 1 1 1 3 3 5 2 5 24 37 5 1 5 3 6 3 2 1 1 4 11 1 1 1 2 10 1 2 3 4 1 5 3 5 7 11 3 12 10 6 9 3 1 2 3 2 1 1 2 1 1 1 2 1 5 11 4 14 70 26 6 6 7 12 6 0 27 5 1 1 1 1 1 0 1 1 7 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 0 1 2 2 2 1 2 2 1 6 3 2 3 17 5 3 100 9 2 2 9 8 2 1 1 2 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 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 0 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: 71 71 s 1H | 68 68 t 1H J 9 | 61 60 d 1H J 24 | 59 59 d 1H J 24 | 39 39 s 3H | 38 38 s 3H | 35 35 s 3H | 30 29 ddd 2H J 8 53 76 | 26 25 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)Nc1cc(C(=O)OC)cc(C(F)F)n1
ir: 17 13 4 9 4 4 9 6 14 16 5 7 3 3 2 3 4 2 6 7 8 20 84 26 1 4 2 2 4 7 2 2 1 2 2 9 15 2 1 1 1 1 1 3 1 1 1 1 1 0 1 2 1 1 1 2 2 5 3 1 2 1 2 15 13 7 57 66 13 10 3 2 18 20 4 1 2 5 3 1 1 2 1 0 1 1 0 1 1 1 0 0 1 1 0 1 3 9 2 1 1 1 1 1 1 2 2 4 27 4 8 4 4 2 4 5 13 8 6 3 6 3 1 2 2 4 3 14 5 2 4 26 8 4 1 1 2 1 3 34 0 1 1 2 3 56 8 3 100 11 2 2 1 4 2 0 3 20 2 0 1 4 4 49 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 2 2 3 2 3 4 3 6 4 10 37 10 14 3 3 1 1 1 2 1 1 1 1 2 2 1 2 2 2 1 2 5 2 9 8 25 79 33 12 4 2 3 2 1 2 9 2 1 0 1 1 0 1 1 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 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 79 79 td 1H J 14 22 | 70 70 m 1H | 60 60 d 1H J 81 | 39 39 s 3H | 38 37 m 1H | 17 16 dqd 1H J 50 72 122 | 15 14 dqd 1H J 51 73 124 | 12 12 d 3H J 68 | 10 9 td 3H J 16 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(CSC#N)(CSC#N)CSC#N
ir: 5 3 0 5 6 6 14 12 10 5 7 12 13 7 10 14 6 4 4 5 5 2 1 4 5 2 1 4 4 1 2 5 5 3 2 4 4 1 2 5 5 4 5 7 5 8 15 7 7 4 5 6 3 0 3 5 3 0 3 5 3 0 4 5 2 1 3 5 2 1 7 6 3 1 4 5 2 1 4 16 3 4 5 12 6 2 4 4 1 3 9 7 2 7 5 6 4 3 7 5 1 8 6 7 11 5 7 4 2 3 7 3 1 10 8 8 5 15 18 10 2 6 12 8 11 24 40 11 5 11 5 5 2 5 6 3 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 1 2 4 3 1 2 5 3 1 3 4 3 1 3 5 3 1 3 5 3 3 4 9 100 1 6 8 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 1 2 5 3 3 2 5 4 2 5 6 6 7 7 8 8 5 14 12 6 7 7 8 30 9 13 6 3 2 4 5 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 2 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 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1; 1HNMR: 30 30 s 5H | 15 15 q 2H J 66 | 9 9 t 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)CO)C1=O
ir: 1 2 2 1 3 2 4 4 1 3 7 6 17 4 3 5 4 2 12 8 17 3 5 5 8 4 3 2 2 8 4 7 8 22 6 5 3 3 2 16 5 4 2 1 4 2 5 31 9 3 2 14 4 22 3 8 46 2 4 1 2 2 1 4 5 4 7 1 18 12 10 15 2 5 2 1 1 1 3 3 2 1 2 2 2 1 4 9 3 4 6 3 4 10 21 11 4 5 10 19 14 9 4 3 8 3 2 2 2 4 1 4 3 2 0 5 10 3 3 11 18 6 7 5 5 4 5 2 4 4 13 4 7 5 3 1 3 3 2 7 15 4 3 3 2 3 15 18 36 3 1 3 3 0 4 4 1 1 1 1 6 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 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 2 1 1 1 2 3 2 3 2 4 6 6 5 11 11 17 29 62 21 14 19 100 76 10 8 6 4 3 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 73 72 m 3H | 57 56 ddt 1H J 78 110 165 | 52 51 dq 1H J 13 163 | 51 50 dq 1H J 13 108 | 48 48 m 1H | 38 37 m 2H | 38 37 m 1H | 36 35 m 2H | 24 23 ddt 1H J 15 77 146 | 22 21 m 2H | 20 20 dd 1H J 76 135 | 18 17 dqd 1H J 59 72 121 | 16 14 dqd 1H J 59 72 121 | 12 12 s 2H | 10 9 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(-c2cnc(SC)c(Cl)c2)on1
ir: 3 3 4 3 4 5 8 5 2 3 5 9 4 4 4 3 3 10 5 3 3 4 4 3 3 14 4 3 3 4 4 3 10 6 10 26 62 16 5 4 8 3 3 3 3 4 4 4 4 4 3 3 3 4 4 7 3 4 6 10 4 5 4 3 3 6 8 52 10 9 7 15 6 6 7 4 4 4 3 2 6 46 5 4 3 3 4 8 8 16 3 3 3 3 3 3 4 3 3 4 9 3 3 3 4 5 3 4 4 5 14 7 5 4 6 9 9 34 28 7 3 4 5 7 18 100 4 4 6 3 3 4 4 3 6 3 4 4 8 16 5 6 3 4 4 3 3 4 4 3 3 5 7 16 8 27 7 3 3 5 4 0 7 34 3 6 4 2 3 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 4 4 3 3 4 4 4 5 4 3 4 4 4 4 5 4 6 6 12 12 9 7 12 21 16 16 8 4 3 4 4 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 87 87 d 1H J 18 | 78 78 d 1H J 18 | 66 66 d 1H J 9 | 28 27 qd 2H J 8 70 | 27 27 s 3H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.