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COCCC(=O)c1cc2c(=O)n(NS(C)(=O)=O)c(=O)[nH]c2cc1C(F)(F)F
ir: 15 4 4 16 14 4 2 2 1 4 2 2 1 1 4 1 1 3 9 40 16 1 3 2 4 8 6 3 3 4 6 8 2 1 10 26 8 9 6 12 11 3 4 3 4 2 4 19 34 11 6 4 13 7 3 1 2 2 7 9 2 1 1 1 3 14 18 14 8 22 8 6 3 4 3 9 2 3 5 5 3 4 15 5 3 2 1 5 41 0 3 5 1 4 5 6 6 6 13 31 4 14 47 16 10 21 47 71 9 10 2 2 2 4 6 18 28 17 5 4 6 13 3 8 3 3 4 3 3 2 3 1 0 2 5 11 5 8 7 7 7 3 3 4 1 1 3 2 1 1 1 1 1 1 12 5 26 8 13 40 5 2 2 0 2 6 4 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 2 1 1 2 1 1 7 6 10 9 6 11 10 8 2 1 1 1 1 2 1 2 1 1 1 1 1 0 1 2 2 1 3 4 12 12 11 100 26 7 2 4 3 2 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 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 84 s 1H | 78 78 q 1H J 21 | 74 74 s 1H | 38 37 t 3H J 62 | 34 33 m 5H | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1cc(-c2cnn(CC(=O)O)c2)c2cnc(Nc3ccnc(Cl)n3)cc21
ir: 33 10 18 15 6 6 8 10 2 4 4 10 9 9 5 24 17 18 11 8 5 7 3 3 8 4 4 3 9 7 6 6 4 3 3 3 3 5 3 9 8 12 8 12 10 5 4 6 3 2 4 3 5 8 11 4 2 2 2 3 2 1 12 17 19 15 7 7 18 30 21 16 22 10 5 7 15 18 17 4 4 6 9 31 42 28 37 29 18 8 6 6 10 7 9 10 12 7 7 17 19 25 21 22 5 7 4 3 8 10 21 21 27 41 20 17 17 14 18 12 17 7 10 4 5 8 4 14 52 19 50 10 9 7 5 3 2 2 4 6 11 6 6 19 12 8 6 14 6 15 6 11 9 6 3 4 12 3 3 35 37 8 11 5 16 2 2 1 2 2 2 0 16 5 6 13 5 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 2 2 2 1 2 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 2 1 2 2 2 2 2 2 1 2 2 3 2 2 2 4 4 4 6 8 3 3 4 4 4 3 2 5 14 10 22 24 28 57 40 40 100 22 40 12 4 4 15 74 15 16 12 5 5 2 2 3 2 5 3 3 4 5 8 16 15 25 11 4 5 4 2 3 2 2 2 2 2 2 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; 1HNMR: 100 99 s 1H | 87 86 s 1H | 84 84 s 1H | 83 83 d 1H J 40 | 81 81 s 1H | 79 78 q 1H J 7 | 77 77 d 1H J 40 | 71 71 t 1H J 6 | 67 67 s 1H | 50 49 d 2H J 9 | 46 45 dtd 1H J 41 48 93 | 14 14 d 6H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1NC(=O)C(Cc2ccccc2)(C2CNCCN2CCO)C(=O)N1
ir: 2 2 2 3 3 4 4 2 2 4 4 4 5 6 4 2 6 6 1 2 3 2 2 3 1 4 3 3 2 2 3 15 1 2 3 4 4 1 1 3 3 6 14 3 1 2 3 3 3 3 5 17 3 15 25 38 7 8 6 3 10 0 1 2 2 1 2 2 2 1 1 3 1 1 1 2 2 5 4 6 3 1 1 2 1 1 1 2 1 5 5 7 10 6 6 5 3 2 4 3 3 4 2 1 2 1 2 5 2 1 2 4 8 8 2 8 4 1 2 3 5 3 3 3 3 3 2 3 2 2 1 1 1 1 2 9 2 1 1 1 1 1 2 6 5 1 1 1 1 1 1 11 7 2 8 47 12 4 1 2 2 0 1 58 72 4 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 5 10 7 4 9 8 21 72 11 16 8 7 2 1 1 1 2 1 2 2 21 21 3 3 4 100 6 10 3 4 4 3 2 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 1 0 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: 99 98 s 2H | 73 72 m 3H | 72 71 ddt 2H J 8 15 65 | 37 36 m 2H | 35 35 d 2H J 9 | 35 34 t 1H J 39 | 32 31 m 2H | 31 30 ddd 1H J 26 48 123 | 30 27 m 6H | 23 22 tt 1H J 31 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCC(=COC)c1ccc(Cl)nc1
ir: 4 2 3 12 12 3 3 2 3 1 1 1 1 2 1 1 2 1 1 1 1 2 1 3 1 6 4 8 4 2 1 5 5 5 29 61 15 4 3 5 3 5 1 2 2 2 2 1 3 2 2 5 13 17 32 12 6 4 5 2 2 2 3 2 4 3 5 10 17 31 15 2 4 4 1 2 1 1 1 1 1 1 1 1 1 1 2 5 9 2 6 16 6 2 2 2 2 1 2 1 1 1 2 3 4 22 8 5 13 6 2 7 5 10 11 6 6 5 14 12 8 4 8 13 6 4 5 4 1 2 12 17 15 11 3 1 3 2 2 1 1 1 1 2 2 4 6 61 100 12 5 1 7 2 1 1 6 2 2 1 1 2 18 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 2 2 2 2 4 4 5 3 3 3 3 3 4 7 25 13 12 23 14 35 5 5 5 1 1 1 2 2 2 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 85 84 d 1H J 19 | 76 75 dd 1H J 20 82 | 72 71 d 1H J 81 | 65 65 dp 1H J 10 19 | 37 37 d 3H J 10 | 27 26 td 2H J 15 76 | 16 15 p 2H J 73 | 14 12 m 7H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1nc(N)c2nc(OC)n(CCC3CCOC(C)(C)C3)c2n1
ir: 6 5 4 5 5 7 5 5 6 9 12 8 7 3 6 3 6 4 7 4 4 7 7 14 13 6 4 11 9 7 7 11 7 10 12 9 8 5 7 9 7 10 37 8 4 7 7 6 7 4 7 2 3 2 3 6 5 14 4 3 6 16 22 19 11 9 7 9 8 9 7 5 7 9 5 9 4 1 4 4 10 1 2 2 1 1 1 4 4 2 2 3 5 3 3 3 0 1 4 4 3 8 13 10 35 54 44 11 12 25 6 8 17 19 8 12 6 8 48 13 33 16 21 18 10 7 9 15 26 38 16 6 13 12 4 5 3 6 12 4 2 2 2 3 7 15 4 2 1 1 1 1 4 26 1 1 1 1 1 0 1 7 30 55 2 1 1 8 7 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 0 1 0 1 0 0 0 0 1 1 1 0 0 1 0 1 0 0 0 0 1 1 1 0 1 0 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 1 1 1 1 0 1 0 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 3 7 8 3 10 17 14 14 17 13 15 14 10 21 28 79 61 13 17 9 8 17 6 5 4 2 2 5 2 0 2 3 2 3 13 42 2 2 3 3 1 39 100 3 1 1 1 1 0 1 1 1 0 1 1 1 1 2 1 2 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 70 70 s 2H | 44 43 m 3H | 42 41 dt 1H J 62 175 | 40 39 s 2H | 37 36 ddd 1H J 31 59 112 | 36 35 ddd 1H J 31 57 112 | 21 20 dtd 1H J 45 63 124 | 19 17 m 6H | 17 16 dd 1H J 55 134 | 16 14 m 4H | 13 13 s 2H | 12 12 s 2H | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)Cn1c(-c2ccc(F)cc2F)c(C)nc(C#N)c1=NC(C)=O
ir: 7 4 2 3 5 6 6 3 5 5 3 5 11 4 3 5 6 7 5 4 46 13 2 6 5 7 12 4 4 2 5 9 3 3 3 4 3 4 3 4 3 11 3 4 6 3 3 4 3 2 3 8 3 6 11 14 13 2 9 4 5 3 3 4 4 6 7 14 14 12 5 6 4 3 3 4 2 2 3 3 2 2 3 3 3 4 5 4 3 2 3 4 4 3 4 4 3 3 4 4 4 9 14 15 16 5 13 8 10 14 6 4 3 20 14 4 6 5 8 6 8 5 21 8 10 20 9 10 8 4 4 4 3 4 4 8 62 29 14 14 6 9 6 0 44 72 6 4 19 5 4 15 7 14 4 4 43 5 3 1 2 8 36 5 3 2 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 4 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 3 5 4 3 3 3 5 4 3 5 5 6 4 9 8 16 6 16 100 18 6 4 3 3 5 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 77 76 dt 1H J 51 86 | 71 70 ddd 1H J 28 86 101 | 69 68 td 1H J 28 121 | 43 42 dd 1H J 56 103 | 41 40 dd 1H J 56 103 | 25 24 s 2H | 23 23 s 2H | 20 19 m 1H | 15 14 dqd 1H J 63 75 123 | 13 11 dqd 1H J 64 76 124 | 10 9 d 3H J 80 | 9 8 td 3H J 15 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C#Cc1ccc(C(F)(F)F)cc1Cl)Nc1ccc2oc(CN3CCCC3)nc2c1
ir: 1 3 2 5 4 4 2 2 5 4 3 1 1 1 1 2 2 1 4 2 4 26 6 15 11 2 3 1 1 3 5 1 7 9 10 2 11 3 1 5 2 5 3 3 4 15 19 14 10 7 5 6 4 6 13 28 19 4 2 1 2 1 2 2 5 20 8 29 20 12 5 4 1 2 2 1 2 9 19 25 4 2 3 5 4 3 12 10 1 4 2 14 12 13 4 2 0 0 31 21 62 15 3 5 5 20 4 6 5 2 1 9 7 68 5 8 3 2 4 1 5 3 3 6 5 13 25 11 8 2 3 5 2 1 0 2 1 2 5 7 6 26 4 5 5 100 17 4 4 25 3 57 7 11 6 21 12 3 1 1 1 1 1 8 15 3 1 0 0 1 0 0 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 1 1 1 0 1 1 2 2 1 2 1 1 1 1 4 1 19 12 10 75 79 5 3 3 1 1 1 0 1 2 0 0 1 2 1 0 1 2 2 2 2 6 14 62 8 3 2 2 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 99 s 1H | 81 81 d 1H J 23 | 77 77 dq 1H J 9 21 | 77 76 d 1H J 108 | 76 76 m 2H | 75 75 d 1H J 88 | 39 39 s 2H | 29 28 m 4H | 19 18 m 4H J 24
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nccc(-c2c(-c3cccc(Br)c3)nn3c(N4CCCC4)cccc23)n1
ir: 4 3 0 6 4 4 3 4 5 6 4 3 2 3 4 3 1 2 2 5 6 3 5 2 1 2 3 3 1 6 21 9 2 1 2 1 1 1 2 2 3 2 1 3 6 1 5 17 7 2 2 6 23 33 30 38 19 7 8 2 7 4 4 4 1 4 3 5 2 4 3 3 2 8 7 2 1 3 12 4 1 1 1 3 1 1 2 3 4 2 0 9 3 3 5 5 11 1 0 1 1 1 0 1 1 2 5 2 3 6 2 1 3 2 1 1 2 1 2 3 1 2 3 10 3 2 8 3 1 2 3 3 4 25 8 26 11 8 3 12 2 1 6 6 13 24 34 100 18 8 35 14 4 1 3 4 29 13 4 13 10 84 10 2 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 1 1 0 0 0 0 1 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 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 1 1 1 2 0 1 1 1 2 7 7 8 41 30 30 12 4 2 1 2 1 1 1 1 1 1 1 2 2 6 49 10 5 2 2 1 1 1 1 1 1 2 9 62 3 2 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 d 1H J 46 | 80 80 dd 1H J 13 92 | 78 78 t 1H J 21 | 77 76 ddd 1H J 12 22 86 | 75 75 ddd 1H J 12 22 79 | 74 74 m 2H | 73 73 dd 1H J 68 92 | 70 69 dd 1H J 13 66 | 65 64 s 2H | 36 35 m 4H | 20 20 p 4H J 17
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCCn2c1cc(OCc1ccc(Oc3ccc(C(F)(F)F)nc3)c(F)c1)nc2=O
ir: 1 1 1 1 5 2 1 1 0 0 1 1 2 2 1 3 3 1 3 3 2 0 0 0 1 1 1 2 1 1 0 0 2 0 1 1 7 3 2 1 0 1 2 18 18 2 2 1 1 1 5 1 7 4 6 7 2 1 1 1 1 0 1 2 2 2 5 8 5 2 8 8 7 3 3 1 1 1 0 0 1 2 2 1 3 4 3 7 8 3 3 2 1 2 1 3 2 2 13 2 1 1 16 1 1 0 1 1 2 1 2 2 2 1 1 5 8 2 1 1 5 8 0 2 4 6 6 1 1 1 1 0 0 0 0 2 1 2 1 2 13 2 3 1 0 0 0 1 1 23 2 1 2 3 100 1 1 2 1 0 8 15 10 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 1 1 3 3 4 3 10 21 4 3 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 19 | 77 76 dq 1H J 21 72 | 73 73 dd 1H J 20 72 | 71 71 ddt 1H J 9 17 121 | 70 70 m 1H | 69 68 dd 1H J 47 82 | 54 53 t 2H J 9 | 53 53 s 1H | 40 39 ddd 1H J 40 55 112 | 39 38 ddd 1H J 40 55 114 | 33 33 t 2H J 55 | 29 29 s 2H | 19 18 qdd 2H J 26 39 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1coc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc12
ir: 2 1 2 1 1 2 1 2 2 5 6 5 1 6 1 4 2 4 6 10 17 17 48 7 2 3 2 1 1 1 2 0 0 1 1 1 2 3 3 0 1 2 2 3 2 2 1 1 1 2 1 1 4 11 17 30 13 7 3 3 2 2 1 0 1 1 8 5 7 13 5 4 8 4 3 1 4 10 17 22 5 3 2 4 3 4 4 4 2 3 2 2 2 2 1 1 2 3 2 14 5 2 1 0 1 2 3 6 10 7 2 3 100 5 4 2 2 4 2 3 3 2 4 3 5 3 1 1 4 3 1 3 4 3 2 2 2 1 2 4 6 3 10 15 9 3 6 4 30 2 2 5 5 5 9 12 4 1 1 1 1 0 7 1 1 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 4 7 10 12 39 19 20 13 3 2 2 1 4 55 54 23 3 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 78 m 2H | 77 77 q 1H J 7 | 77 76 dq 2H J 14 108 | 75 75 d 1H J 84 | 70 70 t 1H J 9 | 70 69 d 1H J 22 | 69 68 dd 1H J 22 84 | 52 52 d 2H J 11 | 37 36 d 2H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1C(C=O)C1CC
ir: 7 8 3 8 9 13 6 6 6 15 7 12 21 10 1 8 8 8 10 7 13 9 7 6 3 3 1 3 4 3 4 7 6 7 4 5 4 4 12 21 22 18 21 10 7 10 3 7 6 5 8 12 17 8 17 11 3 3 10 8 12 3 4 8 4 2 4 4 4 7 8 6 8 9 17 12 12 16 12 9 6 5 6 4 2 2 14 15 29 44 11 15 24 16 4 3 6 3 7 7 8 16 17 14 49 29 21 21 59 25 11 8 11 24 19 12 9 8 9 5 6 9 9 3 1 2 3 4 8 8 4 2 4 3 7 7 19 27 19 27 33 31 22 20 99 86 41 23 8 11 14 30 47 98 19 13 3 4 4 4 3 32 20 9 3 3 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 0 0 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 3 4 8 7 4 1 2 4 3 4 6 3 6 6 10 26 39 44 100 38 26 4 5 4 3 2 2 3 2 1 2 2 1 0 1 2 1 1 1 2 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 96 95 ddd 1H J 17 35 62 | 42 41 p 2H J 63 | 27 26 m 2H | 22 21 ddtt 1H J 17 37 69 143 | 16 15 m 1H | 14 13 m 1H | 13 12 t 3H J 63 | 9 9 td 3H J 15 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)CNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)C4CCNCC4)sc3c2)cc1
ir: 6 10 4 6 2 17 17 14 16 18 27 11 28 20 20 11 9 5 8 4 4 5 5 2 2 4 5 4 3 3 4 3 4 7 4 4 2 3 4 3 5 5 4 3 3 9 6 3 18 100 11 15 16 21 13 16 10 4 5 5 6 9 5 5 6 25 4 10 17 5 4 3 5 8 4 3 6 4 8 9 7 7 6 7 0 20 4 4 15 9 4 5 4 3 6 3 5 9 9 9 7 4 2 3 12 20 8 6 5 8 8 13 2 7 5 5 7 5 13 5 6 9 10 7 3 6 13 6 7 13 9 5 3 2 2 2 3 3 3 3 11 4 2 9 3 13 27 4 8 12 9 78 22 16 7 3 3 5 3 2 2 4 15 5 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 3 3 5 4 3 3 3 4 3 3 3 5 8 4 12 27 8 6 5 3 4 4 10 8 3 3 2 4 3 3 3 8 4 2 8 17 7 3 11 82 61 21 13 4 5 4 2 3 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 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; 1HNMR: 92 92 s 1H | 77 77 m 2H | 76 75 m 2H | 73 72 dd 1H J 22 77 | 69 69 m 2H | 52 51 t 1H J 55 | 34 34 d 2H J 55 | 32 32 s 1H | 31 30 p 1H J 40 | 30 29 dddd 2H J 27 40 55 137 | 29 28 dddd 2H J 27 39 55 136 | 27 26 p 1H J 58 | 21 20 dtd 2H J 27 56 141 | 18 18 dtd 2H J 27 55 140 | 13 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Nc2nccc(C(F)F)n2)cc(-c2cn(CC3CNCCO3)nn2)c1
ir: 2 2 3 2 2 5 4 20 12 3 5 3 2 3 2 3 2 5 11 7 4 15 8 4 4 4 7 30 7 8 6 3 3 5 3 2 1 3 4 7 9 6 4 3 2 3 2 4 3 6 4 15 27 71 30 28 14 6 9 10 8 19 10 22 9 8 15 7 23 9 5 18 51 16 3 3 4 2 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 5 9 10 11 3 2 2 2 1 0 4 11 3 2 3 3 2 5 3 12 12 7 5 6 4 7 6 10 4 1 4 3 3 2 6 16 9 5 1 2 2 2 3 14 7 2 2 7 16 11 2 2 2 4 14 89 100 14 7 12 10 20 6 31 8 3 2 3 8 43 1 4 5 3 2 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 2 5 5 2 4 5 35 38 7 8 6 7 2 1 1 2 1 1 2 2 2 2 3 5 10 63 84 6 7 5 15 23 94 22 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 88 88 s 1H | 86 86 d 1H J 41 | 80 79 t 1H J 9 | 79 78 t 1H J 22 | 76 75 t 1H J 21 | 72 72 m 1H | 72 71 m 1H | 70 70 s 0H | 46 45 ddd 1H J 9 40 148 | 43 42 ddd 1H J 7 40 148 | 42 41 tt 1H J 31 40 | 38 37 ddd 1H J 21 41 114 | 37 36 ddd 1H J 21 41 114 | 33 33 p 1H J 42 | 31 31 ddd 1H J 29 42 124 | 30 28 m 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cc1
ir: 1 1 1 6 4 2 1 1 1 2 1 1 3 1 1 2 4 4 2 4 2 3 5 7 58 15 8 2 1 3 2 1 1 3 2 0 3 3 2 0 3 13 40 56 5 4 2 2 2 1 2 1 4 12 11 7 15 13 8 2 3 0 3 2 1 1 6 3 1 9 9 1 1 2 2 4 1 2 1 1 1 1 1 1 2 1 2 5 4 2 2 2 0 3 2 1 4 4 4 1 1 2 1 1 1 3 12 9 0 1 1 1 0 1 1 1 1 6 8 2 2 1 3 4 8 9 17 10 4 14 16 3 1 1 1 1 1 2 1 1 1 1 1 10 8 2 2 3 19 11 5 34 14 5 2 4 2 1 1 1 1 2 3 4 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 2 4 6 6 21 100 63 22 3 3 2 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 6 8 9 7 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 m 3H | 77 76 m 1H | 73 72 m 5H | 72 72 m 2H | 69 69 m 2H | 51 50 t 2H J 9 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(F)cc1)Nc1ccc(-c2cc(C(=O)O)on2)cc1F
ir: 1 2 3 2 2 2 2 2 3 3 5 4 4 3 3 4 3 13 15 3 6 18 29 98 35 15 4 6 2 3 2 2 2 2 2 1 2 3 5 3 4 12 39 20 8 10 3 3 3 5 3 1 4 3 10 26 23 7 4 3 2 3 2 3 4 3 14 15 6 6 7 12 8 5 7 2 3 6 14 64 10 6 3 5 4 1 2 2 6 8 4 3 2 2 1 2 3 11 3 2 1 2 4 6 12 5 1 1 2 1 1 1 2 2 0 4 7 5 1 3 3 8 3 6 6 3 3 2 2 4 2 2 2 2 2 7 4 2 5 5 5 20 3 4 6 70 6 4 10 16 7 16 16 88 22 56 7 3 3 4 2 0 16 6 2 4 2 2 1 0 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 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 2 3 2 2 5 8 19 41 22 25 17 13 3 4 2 3 10 100 4 2 2 2 2 3 2 3 4 8 2 5 25 87 42 8 6 5 7 5 1 2 2 2 1 1 2 1 0 1 2 2 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 d 1H J 31 | 83 83 s 1H | 76 76 dd 1H J 21 99 | 76 75 dd 1H J 47 99 | 74 73 m 4H | 70 69 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(=O)N2CCCCC2Cc2nc3cc(C#N)ccc3[nH]2)c(-c2ccc(F)cc2)s1
ir: 6 4 4 8 2 5 1 2 5 5 3 4 5 6 3 4 5 6 12 5 4 18 10 24 5 3 7 7 6 5 8 12 9 8 9 15 9 5 8 7 5 2 2 2 2 2 4 5 3 13 7 10 3 0 12 83 17 8 2 3 4 4 12 10 6 3 2 10 10 15 4 2 5 4 3 3 2 2 2 3 2 4 8 2 2 2 4 9 6 2 3 3 2 3 5 7 2 2 4 9 5 15 6 5 3 4 12 60 11 10 2 4 2 3 5 2 3 3 2 4 2 3 4 12 11 5 8 10 6 6 4 6 8 3 3 5 2 8 2 2 2 2 2 5 4 3 100 10 22 51 7 3 16 99 6 3 2 3 2 1 1 4 7 2 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 9 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 3 4 4 3 4 3 4 3 5 7 9 10 10 39 48 15 12 5 5 3 2 5 2 2 3 2 2 2 1 2 2 3 2 2 3 2 2 3 4 19 63 39 17 6 3 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1; 1HNMR: 93 92 s 1H | 80 80 d 1H J 23 | 77 76 m 3H | 76 75 d 1H J 62 | 72 72 m 2H | 45 44 m 1H | 39 38 m 1H | 37 37 ddd 1H J 36 61 121 | 31 30 dd 1H J 73 141 | 29 29 s 2H | 28 27 dd 1H J 71 141 | 24 23 dddd 1H J 50 65 79 128 | 21 20 dddd 1H J 52 65 77 128 | 18 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Br)c1OCCOC
ir: 8 8 4 2 2 3 4 1 8 6 2 6 19 9 4 2 3 2 1 2 0 1 1 4 2 4 7 7 1 1 1 1 2 7 29 5 19 8 2 5 3 10 5 3 3 10 3 1 1 4 4 9 3 3 4 79 7 2 3 1 2 2 4 2 2 11 11 8 19 4 7 3 8 4 1 1 1 3 1 2 1 1 1 2 71 3 4 6 2 3 2 1 1 1 3 1 1 4 4 2 3 3 5 2 4 10 2 8 20 7 4 3 4 7 2 2 5 6 5 26 24 12 32 17 22 33 82 8 7 13 3 8 2 1 1 2 2 2 10 4 6 13 24 12 7 11 100 13 6 3 1 3 3 1 1 1 1 0 1 5 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 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 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 0 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 2 2 2 2 2 4 22 4 6 3 3 5 13 6 8 57 12 7 31 12 6 3 2 1 1 1 1 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 78 d 1H J 97 | 78 78 d 1H J 97 | 47 46 s 1H | 42 42 t 2H J 49 | 37 37 t 2H J 49 | 35 34 m 2H | 34 34 s 3H | 28 27 dt 2H J 76 152 | 26 25 dt 2H J 76 153 | 17 16 p 2H J 76 | 14 13 t 3H J 91
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cc(C#N)cc(NC(C)=O)c1
ir: 5 2 0 3 5 7 3 3 5 2 1 3 4 3 3 12 11 4 1 4 6 2 2 5 5 18 4 8 9 13 18 23 12 34 12 15 50 8 12 7 5 2 2 5 3 1 2 5 4 1 7 6 4 3 3 5 3 0 3 5 6 1 4 5 3 3 9 41 16 16 32 11 5 3 4 7 3 2 4 4 2 2 4 4 2 2 4 4 1 2 4 4 2 2 5 4 13 4 8 8 4 10 16 5 1 2 5 4 1 6 6 3 0 3 6 4 4 7 4 4 3 9 7 6 3 4 5 4 5 8 4 3 2 4 4 2 1 4 4 2 2 9 8 8 8 100 34 12 4 5 4 1 4 7 4 1 3 5 5 19 6 4 17 8 4 5 3 1 3 4 3 1 3 4 3 1 3 5 3 1 3 4 4 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 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 4 1 2 4 4 3 3 5 3 1 3 4 4 1 3 6 4 2 4 6 6 9 10 25 14 4 4 5 3 3 4 4 3 2 3 4 2 2 3 4 3 2 5 4 5 9 52 52 16 12 7 5 3 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 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 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 94 94 s 2H | 79 78 d 2H J 22 | 77 77 t 1H J 21 | 22 21 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nccc(/C(=C/N(C)C)C(=O)CC2CC2)n1
ir: 1 2 1 1 1 1 1 2 1 3 6 3 1 2 4 2 2 4 6 5 3 4 3 9 4 3 2 1 2 4 10 3 3 6 4 1 5 3 9 6 6 5 3 6 6 4 1 3 5 31 100 59 17 11 5 5 5 3 3 3 2 2 5 5 4 7 3 4 2 4 4 6 5 11 5 1 3 2 1 2 2 2 1 1 2 5 3 4 7 4 10 12 9 5 1 3 3 1 1 2 2 2 0 1 14 15 13 9 7 6 3 42 32 2 2 4 5 4 8 4 7 7 8 3 5 4 1 4 5 7 2 3 3 5 21 5 5 2 1 4 14 27 5 5 9 8 8 13 52 23 9 10 6 7 3 7 43 4 4 4 2 2 8 25 7 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 2 1 2 4 4 12 6 8 9 11 15 16 21 8 7 4 2 2 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 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 84 d 1H J 42 | 74 74 d 1H J 42 | 73 73 dq 1H J 10 20 | 28 28 d 6H J 11 | 26 26 d 2H J 69 | 26 25 s 3H | 17 15 ddd 1H J 62 69 132 | 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.
Nc1cc(C2=CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12
ir: 0 1 1 1 1 1 0 1 2 1 2 2 1 3 5 1 2 1 6 2 1 1 1 1 0 1 2 1 1 4 1 1 2 1 0 0 0 1 0 0 1 0 1 2 1 1 2 4 3 1 1 0 3 1 1 2 6 5 2 1 0 1 0 1 1 1 1 1 2 1 2 4 1 1 2 2 2 0 1 2 1 0 1 1 1 0 0 0 0 0 0 1 2 1 0 0 0 0 1 1 0 0 0 1 1 0 1 2 3 4 2 1 2 2 1 0 0 2 2 1 3 1 1 1 1 1 2 10 3 1 1 0 0 0 0 1 1 2 0 1 0 1 0 1 1 1 9 1 0 1 1 4 2 4 5 3 3 7 1 1 1 0 1 1 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 1 1 4 5 3 8 2 0 0 1 0 0 0 0 0 0 1 1 0 1 1 3 6 4 1 0 0 0 1 1 0 0 2 2 100 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 d 1H J 16 | 85 85 t 1H J 19 | 81 80 m 2H | 80 79 ddd 1H J 12 22 88 | 78 77 td 1H J 11 75 | 76 75 td 1H J 16 84 | 66 65 s 2H | 64 64 s 1H | 60 59 tt 1H J 9 21 | 37 36 p 1H J 45 | 35 35 ddt 2H J 11 21 44 | 31 30 m 2H | 29 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc2[nH]ncc2c1)C(c1ccsc1)N1CCCCC1
ir: 1 1 1 5 1 0 0 1 2 1 2 10 18 6 4 9 8 4 6 3 1 2 3 1 1 2 2 6 18 8 42 9 3 2 6 5 5 10 5 4 12 34 6 4 18 27 7 4 1 3 3 14 3 9 15 100 18 7 3 4 9 3 3 2 2 1 1 2 11 4 1 2 4 8 0 0 1 1 1 1 3 19 4 1 7 25 10 4 2 7 4 8 6 3 5 9 5 7 1 5 6 15 98 4 2 2 3 1 1 3 6 12 12 12 4 9 4 6 3 2 7 3 3 2 5 3 4 3 2 2 2 2 10 16 23 2 1 0 0 1 2 3 4 2 12 5 9 12 2 8 66 40 2 3 8 6 5 22 5 1 2 1 0 1 2 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 2 1 2 1 2 2 0 3 4 6 9 14 51 10 15 26 42 5 3 3 2 2 1 1 1 2 1 1 2 1 2 3 5 11 18 78 45 10 7 11 8 8 1 1 1 1 0 1 0 0 0 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 100 100 s 1H | 83 83 d 1H J 17 | 79 78 td 1H J 9 17 | 76 75 m 2H | 74 74 m 2H | 72 72 m 1H | 43 42 d 1H J 9 | 30 29 ddd 2H J 37 60 122 | 28 27 ddd 2H J 36 61 122 | 17 15 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
ir: 9 6 4 6 6 3 3 4 4 4 5 4 9 3 1 4 12 4 3 6 4 5 1 3 3 1 3 12 13 4 4 11 28 11 22 7 11 6 3 4 5 1 40 11 9 5 11 15 7 3 3 5 2 1 2 4 2 0 2 5 2 2 5 4 10 5 10 8 7 5 5 4 3 2 6 8 5 9 5 3 1 2 11 5 4 5 7 34 2 3 7 15 11 2 4 8 3 13 4 4 2 6 8 7 2 4 3 3 4 4 4 2 0 2 4 3 2 4 4 5 2 5 4 2 1 2 4 4 0 3 8 4 2 6 7 6 5 9 8 4 9 38 9 3 10 11 4 1 8 9 26 15 4 6 13 49 4 3 2 2 2 5 14 2 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 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 0 2 3 2 1 2 3 1 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 2 3 2 1 2 3 2 2 2 3 3 2 2 3 3 4 3 8 12 10 19 100 51 7 6 7 14 2 3 3 2 5 5 3 2 2 2 3 2 1 3 3 2 2 4 4 17 47 13 10 8 6 4 3 2 1 3 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 100 99 s 1H | 83 82 dd 1H J 15 79 | 75 73 m 7H | 73 72 m 1H | 72 72 td 1H J 13 73 | 32 32 t 2H J 61 | 31 30 t 2H J 60 | 27 26 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC12CCC(CC1)Cn1c2nc(C(=O)OCC)c(OC(=O)c2ccccc2)c1=O
ir: 4 5 12 3 10 7 10 4 2 2 5 15 18 15 9 4 2 1 1 3 52 4 2 1 1 1 16 8 3 29 25 19 14 3 4 16 4 18 21 8 6 31 14 8 11 12 23 37 3 5 7 7 26 16 27 4 5 3 4 0 4 7 7 11 2 6 8 11 13 8 9 3 5 9 8 16 6 7 12 14 3 2 2 1 1 1 1 2 2 7 4 2 3 1 2 2 2 3 3 14 11 12 4 8 10 4 2 3 8 5 13 13 8 15 6 19 19 31 61 31 15 7 19 33 9 10 6 6 6 3 3 5 20 9 57 5 14 42 9 8 10 4 20 82 12 100 96 3 3 3 2 1 1 6 2 0 1 3 69 2 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 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 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 4 4 5 2 2 4 4 5 1 29 9 16 28 31 9 9 3 3 2 2 2 2 1 1 2 3 1 1 2 4 5 13 88 31 4 3 3 2 2 1 2 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 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 80 m 2H | 77 76 m 1H | 76 75 m 2H | 44 43 q 2H J 71 | 41 40 d 2H J 35 | 34 33 t 1H J 40 | 28 27 qd 2H J 41 63 | 23 22 qq 1H J 34 66 | 21 21 ddd 2H J 59 85 128 | 19 18 ddd 2H J 58 86 128 | 18 17 dddd 2H J 57 64 86 142 | 15 14 dddd 2H J 59 66 86 144 | 12 11 t 3H J 63 | 11 10 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1ccccc1)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1
ir: 5 4 4 4 4 5 5 5 11 5 5 7 4 8 10 5 6 6 15 7 7 19 25 21 17 17 6 5 6 4 7 13 13 12 12 4 7 6 4 5 10 11 4 6 5 5 5 6 4 4 4 4 4 4 7 19 23 22 8 6 5 4 4 4 4 4 4 16 12 15 7 8 4 4 5 7 10 18 12 17 18 5 6 5 4 5 7 8 4 4 5 5 9 5 4 4 4 5 6 6 5 5 8 5 2 27 39 13 10 12 16 4 5 4 3 12 6 5 4 4 6 8 8 17 23 9 6 5 5 6 11 9 9 4 5 6 6 4 4 3 4 6 10 13 5 8 22 29 23 5 5 7 5 5 9 5 7 5 3 3 3 4 4 3 3 4 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 4 3 3 4 3 3 4 4 4 3 4 5 5 4 9 15 25 38 21 13 9 5 6 7 5 0 50 100 5 7 3 2 4 5 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 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; 1HNMR: 89 88 dd 1H J 20 88 | 85 84 d 1H J 21 | 82 81 d 1H J 88 | 80 80 m 2H | 73 72 m 5H | 72 71 m 2H | 51 51 d 0H J 16 | 51 51 s 2H | 34 34 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1cn(-c2ccccc2Cl)c2cc(Cl)ccc2c1=O)c1ccc(-c2cn[nH]c2)nc1
ir: 5 3 2 7 8 4 4 4 6 5 6 5 10 6 5 3 5 5 3 10 5 3 4 9 9 3 2 5 6 3 4 6 4 3 3 3 3 4 8 8 92 5 8 10 44 63 10 8 7 2 3 9 5 0 19 17 6 4 4 5 2 1 4 6 4 2 7 11 8 9 5 4 3 6 4 7 2 2 7 5 3 4 5 4 5 3 5 9 3 9 12 8 2 3 4 4 1 2 10 4 3 3 5 6 2 4 6 9 3 3 4 4 3 10 9 4 1 4 11 4 6 13 11 18 9 7 5 8 1 4 5 3 4 13 6 2 6 12 100 21 4 4 4 10 25 14 13 26 20 8 9 44 21 16 19 7 5 9 9 1 3 5 14 24 4 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 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 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 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 5 3 2 3 6 7 11 21 54 29 20 20 22 8 3 3 5 3 3 3 4 3 3 3 4 3 4 4 6 5 16 14 24 40 10 58 7 2 2 4 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 2 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1; 1HNMR: 90 90 d 1H J 19 | 88 88 t 1H J 56 | 85 84 t 1H J 13 | 83 82 d 1H J 16 | 82 82 dd 1H J 20 84 | 82 81 d 1H J 89 | 80 80 dd 1H J 17 38 | 77 76 d 1H J 84 | 76 75 d 1H J 22 | 75 74 dd 1H J 22 88 | 73 73 m 3H | 71 70 m 1H | 44 44 dd 2H J 13 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c2n(c3c(-c4ccc(Cl)cc4)cc(C#N)cc13)CCNC2=O
ir: 1 2 2 3 2 2 2 3 6 3 6 3 2 2 2 5 2 2 4 5 7 8 8 13 22 13 6 6 5 3 3 4 3 5 4 4 33 9 3 3 3 6 7 15 37 4 5 2 3 6 4 3 7 18 45 23 4 7 3 6 5 9 5 2 2 3 3 3 11 7 11 3 2 2 2 2 2 2 3 7 2 2 1 2 3 7 2 2 2 2 3 13 3 3 2 3 2 2 1 2 3 2 1 21 1 2 2 7 2 2 2 3 3 2 8 3 7 3 11 10 8 11 7 6 14 13 6 2 4 5 9 3 3 3 3 5 42 4 4 2 2 2 4 4 4 39 17 4 2 9 6 30 3 4 3 1 4 100 2 9 4 0 3 3 2 0 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 3 2 2 2 2 2 2 4 2 2 2 4 8 7 9 14 34 73 24 13 5 4 6 3 2 2 2 2 3 2 2 2 2 2 3 3 4 3 4 7 9 9 25 12 6 1 7 4 3 2 3 2 1 2 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 82 81 d 1H J 20 | 80 79 d 1H J 22 | 74 73 m 2H | 73 72 m 2H | 57 56 t 1H J 28 | 43 42 m 2H | 37 36 m 2H | 27 27 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CNC1=NC(=O)S/C1=C\C1CCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)CC1
ir: 9 9 8 17 4 8 13 8 9 4 5 3 6 6 14 8 11 5 3 1 1 3 1 4 1 1 1 2 2 2 20 18 6 8 3 4 1 1 1 1 0 1 1 2 1 1 2 1 2 2 1 1 4 3 5 2 12 5 3 0 1 1 1 3 2 2 4 10 4 1 1 0 1 3 1 0 3 2 1 1 3 18 3 4 3 6 1 0 1 2 1 2 2 2 0 1 4 4 5 100 11 3 6 7 24 9 7 7 5 6 1 2 8 4 33 11 8 7 4 3 2 2 4 4 3 4 6 5 14 19 6 4 2 2 1 5 2 1 0 1 2 2 1 15 59 10 5 27 44 14 8 3 3 0 1 1 2 1 3 4 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 1 0 1 0 0 1 1 1 1 2 1 1 3 0 1 2 2 2 1 3 7 7 11 15 6 3 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 3 2 9 6 8 15 18 23 14 10 3 2 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 1H | 76 75 m 1H | 72 72 dt 1H J 8 66 | 64 63 t 1H J 50 | 61 60 dp 1H J 9 80 | 42 42 m 4H | 37 37 d 2H J 10 | 29 28 ddd 2H J 53 81 119 | 27 26 m 3H | 19 18 ddddd 2H J 9 45 53 81 124 | 17 16 ddtd 2H J 23 46 81 99 | 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.
COC(=O)C(CNC(=O)OC(C)(C)C)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1
ir: 6 15 7 13 5 16 19 13 16 14 17 23 9 9 6 8 8 11 14 6 6 2 2 2 2 7 2 2 3 1 8 38 13 20 9 5 3 6 4 11 3 3 24 7 2 3 5 4 9 7 3 4 3 15 9 3 6 12 13 9 20 27 38 24 4 2 3 1 3 6 4 3 9 6 1 7 1 2 5 4 5 1 2 7 3 5 2 2 2 3 3 1 5 5 2 21 36 12 14 7 4 5 2 2 0 4 6 19 34 13 11 4 6 8 9 8 8 22 35 62 51 31 21 20 11 8 21 14 19 43 24 12 8 3 3 2 1 2 4 7 8 19 8 29 14 64 23 3 4 2 2 4 6 1 1 1 1 1 1 1 1 0 1 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 0 1 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 1 1 2 1 1 1 1 1 1 2 2 3 3 4 13 7 9 8 7 10 7 7 7 19 26 23 18 100 29 41 69 30 58 9 2 3 2 2 1 1 0 1 2 1 0 1 1 1 1 3 4 3 3 18 21 22 18 6 5 2 2 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 76 76 dt 1H J 9 16 | 76 75 m 2H | 73 73 m 3H | 70 70 dt 1H J 8 17 | 59 58 t 1H J 62 | 52 52 q 2H J 8 | 46 45 dt 1H J 46 87 | 37 36 m 1H | 37 37 s 3H | 36 35 m 2H | 35 34 ddd 1H J 45 62 135 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccnc(C(O)c2ccc(C)cc2F)c1
ir: 26 14 17 4 2 11 9 4 10 21 25 16 12 16 15 4 14 16 10 3 2 4 5 2 2 5 5 8 9 5 5 4 17 24 12 6 2 6 6 3 4 5 6 8 7 10 5 1 3 6 4 0 5 18 22 1 11 19 8 8 6 8 5 1 11 10 29 39 10 7 13 17 7 9 22 28 11 7 3 3 8 5 7 6 7 11 43 100 69 63 36 36 41 11 2 10 39 36 4 5 11 7 18 10 6 3 1 3 6 3 0 3 6 3 0 3 6 3 2 6 15 7 5 13 10 9 10 7 7 3 2 5 5 2 2 4 10 7 1 5 5 10 14 5 4 1 2 9 6 11 8 11 8 12 6 6 4 2 3 8 16 3 4 6 3 0 3 5 3 0 3 5 2 0 3 5 3 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 3 2 2 4 3 1 2 4 3 2 3 5 4 2 3 5 4 2 3 5 4 4 4 5 6 4 9 12 54 46 23 30 8 5 6 10 75 48 7 9 4 1 4 5 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 84 84 d 1H J 52 | 73 72 m 2H | 71 70 m 1H | 70 69 m 1H | 69 68 dd 1H J 21 120 | 60 60 dt 1H J 17 45 | 43 43 d 1H J 49 | 24 23 d 3H J 7 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=[N+]([O-])c1cnc2ccc(Cl)cc2c1C(F)(F)F
ir: 1 7 2 1 1 3 22 2 4 2 1 1 1 1 1 1 4 3 5 1 1 1 1 9 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 8 2 2 1 1 1 1 1 1 21 2 2 1 1 2 2 3 3 15 6 1 1 2 1 1 1 6 2 3 4 2 8 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 1 0 1 4 2 0 7 9 3 60 8 34 4 1 2 46 2 1 1 1 1 1 12 3 1 1 1 1 1 1 15 2 1 1 3 3 1 1 1 1 1 1 6 4 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 34 49 11 2 2 2 3 18 19 5 3 7 2 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 4 100 18 9 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 s 1H | 85 85 d 1H J 27 | 81 80 d 1H J 82 | 78 77 dd 1H J 26 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1ccc(CC(Cl)=NO)cc1
ir: 7 7 7 11 11 25 65 53 20 100 8 28 12 10 0 5 5 1 1 4 5 4 2 2 2 1 1 2 3 3 2 3 2 3 1 2 1 10 7 7 2 3 6 13 3 8 6 4 4 1 8 8 8 5 4 14 42 37 3 1 2 2 2 2 1 1 1 1 1 6 3 5 8 72 10 4 2 1 1 1 0 0 1 1 5 2 3 9 7 34 12 6 10 11 18 36 29 12 16 12 4 3 4 2 4 5 5 2 0 3 8 4 2 5 2 3 3 3 2 3 2 4 5 4 6 2 3 3 2 1 1 1 0 1 1 1 1 2 1 1 6 12 4 2 2 3 3 6 26 14 5 2 11 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 0 1 1 0 1 1 0 0 1 1 1 1 0 0 0 1 0 0 1 2 1 2 2 4 4 3 2 2 2 2 3 7 6 6 21 53 77 19 9 6 4 3 3 9 30 95 6 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 dq 2H J 9 77 | 70 69 dt 2H J 9 82 | 41 40 t 2H J 8 | 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.
COC(=O)C1(NC(=O)c2cc(OCCc3cccc(C)c3)c3c(c2)OCO3)CCCCCC1
ir: 2 1 1 5 1 1 1 1 0 2 5 2 2 1 1 1 0 1 1 1 1 1 4 4 3 1 2 2 1 2 2 3 1 2 2 2 1 1 1 2 9 100 25 6 5 3 3 5 7 4 1 1 1 1 1 1 3 0 1 1 1 1 2 2 5 5 14 6 6 10 3 4 3 2 2 4 4 3 5 3 4 1 1 1 1 0 1 11 7 2 1 0 1 1 1 0 2 2 6 1 1 1 0 1 2 1 0 2 3 2 0 3 4 7 4 14 3 1 2 2 3 2 1 2 2 2 2 2 2 0 0 1 1 1 2 3 3 10 9 1 11 4 4 12 59 4 7 66 1 4 2 0 1 1 3 4 1 2 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 4 2 2 1 1 1 1 2 5 5 3 14 23 18 3 2 1 1 1 1 0 1 1 0 0 0 0 1 1 1 2 1 2 1 1 6 40 4 4 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 s 1H | 72 72 d 1H J 22 | 72 71 m 2H | 71 70 ddq 1H J 9 20 75 | 70 70 dtd 1H J 7 14 79 | 70 69 q 1H J 16 | 60 59 s 2H | 42 42 t 2H J 58 | 37 37 s 2H | 29 28 tt 2H J 9 58 | 23 23 m 2H | 22 21 m 2H | 19 18 m 2H | 16 13 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1oncc1C(=O)N1CCC[C@@H](O)C1
ir: 3 2 2 5 2 10 3 2 3 3 4 5 3 6 2 3 3 2 4 5 6 3 3 3 3 2 2 2 3 2 2 5 7 3 3 2 5 6 11 33 18 38 16 3 4 3 2 2 3 3 6 2 3 3 4 4 2 6 4 3 4 3 3 4 3 3 6 3 50 2 5 7 4 3 11 9 4 3 5 3 27 5 4 7 4 11 22 15 46 18 24 13 14 14 9 11 6 5 4 5 4 3 3 3 2 12 32 11 14 6 7 19 15 3 3 3 4 7 8 5 3 9 13 5 4 4 6 2 3 10 4 4 3 10 31 8 3 2 2 3 4 12 8 3 2 2 2 2 2 3 9 37 29 12 10 1 6 100 0 5 3 0 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 5 2 2 4 6 7 4 10 3 3 9 3 4 6 31 11 6 5 3 3 4 2 4 6 14 42 7 3 3 3 2 2 2 3 2 2 4 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 82 82 s 1H | 40 39 tddd 1H J 26 41 53 67 | 38 38 dd 1H J 26 119 | 36 34 m 4H | 26 26 s 2H | 20 17 m 3H | 17 16 ddt 1H J 68 95 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC1CCCc2ccc(Cl)cc21
ir: 1 1 1 1 2 5 3 1 1 1 1 1 2 3 2 1 2 1 1 1 1 1 0 1 1 1 2 3 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 1 1 0 1 9 5 1 1 1 2 13 11 1 1 1 2 12 13 3 2 1 2 3 11 15 15 11 65 56 3 2 3 5 1 0 2 2 13 8 3 3 1 1 2 2 1 1 6 3 2 1 1 1 1 3 1 1 1 1 2 1 1 2 2 1 1 2 3 2 2 3 2 2 2 5 4 4 2 3 3 2 3 5 3 3 5 3 7 10 43 29 6 2 2 2 1 1 1 2 6 1 1 1 1 0 1 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 2 2 5 4 17 35 7 2 1 1 1 1 1 1 1 2 2 2 4 6 11 18 5 5 3 1 6 100 59 4 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 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 dd 1H J 22 82 | 72 71 dd 1H J 8 23 | 71 70 dt 1H J 9 82 | 41 40 dtd 1H J 39 48 59 | 28 27 m 2H | 21 20 m 3H | 20 17 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(CCC(C)C(=O)O)C(=O)O
ir: 0 8 1 1 1 1 1 1 1 2 7 2 23 3 3 2 2 3 9 8 15 25 25 59 18 2 4 3 2 1 1 1 1 1 1 3 2 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 2 1 1 0 2 4 3 4 9 5 3 14 69 4 8 3 2 0 1 2 1 2 2 1 1 2 1 4 2 1 3 2 3 2 2 1 0 1 1 1 1 1 1 1 2 1 1 1 1 3 3 1 2 4 3 2 2 4 4 3 5 3 3 9 9 3 2 1 1 2 2 1 0 2 3 3 3 29 3 4 6 7 11 3 2 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 1 1 1 2 1 1 1 1 4 3 2 2 3 1 1 1 1 1 2 5 2 2 2 2 26 100 8 4 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 60 59 dt 1H J 10 21 | 58 58 dt 1H J 10 21 | 25 23 m 3H | 19 18 dtd 1H J 59 88 135 | 17 16 dtd 1H J 58 87 134 | 12 12 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(CNc2nc(NCC(F)(F)F)c3cc(-c4ccc(F)cc4)ccc3n2)cc1
ir: 3 3 2 3 3 2 3 1 2 1 2 1 1 3 2 1 1 1 0 4 3 2 1 1 0 0 1 1 1 0 1 0 1 0 0 1 1 0 1 2 0 0 1 0 0 0 1 2 1 0 0 2 2 4 8 12 7 2 4 100 4 2 1 0 0 1 1 0 1 1 0 0 6 0 0 0 0 2 1 0 0 0 0 0 0 0 1 1 1 1 0 1 1 0 1 1 2 1 0 0 1 3 2 1 0 1 1 0 1 0 1 2 2 1 1 1 1 2 0 1 3 3 2 2 4 5 2 1 1 0 0 0 0 0 0 0 1 1 2 6 1 2 0 2 4 49 7 5 2 1 1 25 2 4 23 3 1 4 1 0 0 2 1 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 5 7 5 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 4 5 6 6 50 7 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 dd 1H J 9 20 | 81 80 m 2H | 75 74 m 5H | 72 71 m 4H | 69 68 t 1H J 52 | 48 48 dt 2H J 9 53 | 43 41 qd 2H J 51 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=CC(=O)CC(C)(C)C1=CC=O
ir: 4 4 3 4 28 5 3 4 5 17 6 13 4 4 3 3 4 4 7 6 7 20 13 4 5 10 5 4 4 3 6 14 5 3 4 3 4 3 3 3 3 3 3 6 6 3 4 4 4 6 52 15 6 4 3 3 4 7 6 4 4 3 4 13 6 4 5 9 8 7 24 4 5 4 5 5 9 44 51 51 20 5 5 5 3 3 4 4 3 3 9 4 3 4 4 4 6 4 4 6 11 5 1 20 3 8 7 4 2 5 9 15 4 4 6 5 7 14 26 26 16 9 4 5 3 5 4 4 5 4 15 10 4 4 4 3 3 4 8 28 17 33 7 4 3 5 4 1 2 100 0 8 5 0 4 11 10 44 50 6 3 9 11 4 4 6 4 2 4 5 3 2 3 5 3 2 3 5 3 3 4 4 3 3 3 4 3 2 4 4 3 3 3 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 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 3 3 3 3 4 3 3 4 3 3 3 3 3 3 3 4 3 3 3 4 4 3 15 7 4 4 5 8 6 5 4 4 5 9 20 28 29 34 69 18 6 3 5 5 4 2 3 4 3 2 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 3 3; 1HNMR: 99 98 d 1H J 64 | 60 60 p 1H J 11 | 58 58 d 1H J 64 | 26 25 d 2H J 9 | 21 21 d 3H J 13 | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CC(O)CN1
ir: 14 10 7 4 6 7 8 8 11 18 4 38 44 41 22 14 18 24 38 34 9 15 6 15 22 11 7 6 7 3 5 8 5 6 7 15 5 3 2 7 8 5 14 9 5 5 12 11 16 6 4 4 3 3 4 7 5 6 13 9 8 9 32 62 26 34 23 14 6 5 6 4 4 5 8 23 11 5 12 7 3 3 7 4 4 3 5 8 3 21 28 8 9 96 57 35 34 13 5 4 23 13 7 8 4 8 93 53 24 12 5 14 41 91 47 6 5 11 17 8 3 7 12 16 21 7 9 9 7 10 17 3 2 2 2 2 2 3 3 2 3 2 3 18 34 4 3 1 2 4 2 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 2 2 2 2 2 3 4 2 2 2 2 3 2 2 3 2 2 2 2 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 3 3 3 2 2 2 2 3 3 2 2 3 3 4 3 3 3 2 4 4 6 4 3 4 4 4 4 8 7 5 3 4 3 1 6 17 99 97 24 6 6 4 2 1 3 4 1 0 4 12 100 50 2 0 3 3 1 1 3 3 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 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 42 41 m 3H | 39 39 q 1H J 58 | 35 35 dt 1H J 45 62 | 35 34 d 1H J 42 | 31 30 ddd 1H J 28 44 130 | 28 28 ddd 1H J 26 43 128 | 24 23 dt 1H J 56 139 | 21 20 dt 1H J 56 139 | 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.
CCCCCCCCc1ccc(C(=O)Cc2cccc(C#N)c2)cc1
ir: 4 3 1 2 2 3 1 6 3 4 3 2 3 3 5 4 3 8 12 5 7 7 3 6 3 7 11 3 4 9 3 9 12 7 18 30 14 7 7 6 10 16 9 8 5 3 5 8 28 8 9 13 12 9 6 7 17 10 3 5 3 3 2 1 2 1 3 2 8 11 5 0 3 2 2 2 2 2 7 3 3 2 3 2 2 2 2 7 13 18 4 4 6 3 3 2 3 7 12 6 7 4 2 2 5 3 8 11 7 6 7 4 7 2 6 7 1 9 5 17 10 9 7 7 8 20 7 10 11 10 2 9 3 3 2 2 4 4 5 10 81 23 18 10 5 3 2 3 3 20 6 7 6 7 16 4 6 1 2 4 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 0 2 6 39 8 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 6 6 4 8 4 3 3 3 3 5 9 21 24 27 100 25 15 6 3 3 2 3 2 2 3 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 m 2H | 76 75 m 2H | 75 74 t 1H J 68 | 74 73 ddq 1H J 10 22 70 | 73 72 dt 2H J 9 84 | 43 42 t 2H J 9 | 27 26 tt 2H J 9 80 | 17 16 m 2H | 13 12 m 10H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCc2cccc(C(=O)O)c2N1
ir: 1 1 1 1 1 3 1 1 1 1 2 4 5 6 7 6 15 7 3 2 2 13 6 5 6 43 100 60 10 0 1 3 3 1 1 2 2 4 9 21 41 9 3 4 2 0 3 5 2 1 1 1 1 0 1 1 1 0 1 2 5 2 2 4 3 1 1 2 1 0 1 2 1 0 2 5 9 61 8 1 3 1 1 1 2 1 2 4 5 2 1 2 19 3 2 2 1 1 1 3 4 1 1 1 3 1 3 1 1 1 1 1 1 2 1 5 10 15 2 2 2 1 1 4 1 1 1 1 2 2 3 2 3 2 25 7 1 1 2 5 4 3 2 3 11 63 3 1 1 1 2 10 51 6 2 0 1 2 1 11 6 5 2 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 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 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 4 1 2 13 8 2 1 2 1 1 1 4 22 72 47 4 1 1 1 2 1 1 2 3 3 9 28 48 27 27 12 2 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 dd 1H J 11 84 | 72 71 dq 1H J 10 82 | 69 69 t 1H J 83 | 57 56 s 1H | 29 28 m 2H | 20 20 m 2H | 14 13 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc2c(c1)COC2(CCCI)c1ccc(F)cc1
ir: 6 4 14 4 2 2 3 3 2 3 4 3 4 5 16 5 4 9 2 2 2 3 1 2 4 4 12 6 4 18 8 4 5 13 23 12 25 3 8 3 2 2 2 3 3 0 1 3 2 0 2 9 31 21 49 81 35 8 4 5 7 10 8 3 12 9 7 3 15 45 8 2 5 6 1 0 2 1 1 1 1 2 1 2 5 3 7 4 10 8 4 5 9 12 6 8 2 4 2 3 7 8 10 4 3 2 3 2 10 7 11 4 14 17 12 29 25 15 14 20 21 7 7 9 6 9 7 32 2 4 5 2 0 2 5 3 2 2 3 1 2 7 3 1 1 3 4 10 100 25 12 7 10 8 2 3 2 3 1 6 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 22 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 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 0 1 1 1 1 1 1 1 0 1 1 3 3 6 9 5 3 2 3 5 4 7 17 33 11 26 71 61 32 7 7 7 4 4 2 2 2 1 2 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 dd 1H J 21 80 | 75 75 dd 1H J 9 21 | 74 73 m 3H | 71 70 m 2H | 50 50 dd 1H J 10 128 | 49 49 m 1H | 32 31 m 2H | 25 24 dt 1H J 71 141 | 23 22 dt 1H J 72 142 | 21 20 dtt 1H J 53 71 125 | 20 19 dtt 1H J 52 70 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1nc2ccc(O)cc2[nH]1)N1CCC(Cc2ccccc2)CC1
ir: 4 2 8 21 5 5 5 10 4 4 5 4 4 2 3 2 3 6 20 27 8 4 8 15 74 11 61 2 3 5 6 4 3 3 4 3 4 5 5 11 25 11 11 2 2 6 3 2 11 4 3 0 6 39 45 11 6 6 4 2 3 4 5 1 2 3 8 13 8 5 1 3 5 4 3 3 5 4 22 66 51 5 6 9 4 3 9 3 4 20 6 3 6 6 20 5 4 6 9 3 4 3 4 5 6 12 2 5 9 9 22 4 4 4 2 10 3 10 7 6 9 9 5 5 6 5 14 2 3 4 2 4 15 7 5 25 16 22 7 2 2 2 3 53 7 4 9 12 3 1 4 33 15 3 5 33 13 1 1 2 2 0 1 9 5 3 1 2 1 0 1 2 3 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 3 3 4 1 2 2 2 1 3 6 4 4 4 4 3 1 3 3 2 4 10 16 22 58 12 25 6 3 3 5 6 67 90 61 5 2 2 2 2 1 4 2 2 1 3 5 5 2 17 12 100 7 6 4 12 3 2 1 1 2 2 4 3 4 3 2 2 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 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 0 1 2; 1HNMR: 89 88 s 1H | 76 75 d 1H J 87 | 73 72 m 3H | 72 71 m 2H | 70 69 d 1H J 22 | 69 68 dd 1H J 21 87 | 40 39 ddd 2H J 55 83 121 | 38 37 ddd 2H J 57 83 122 | 26 26 dt 2H J 9 70 | 20 19 m 3H | 18 17 ddt 2H J 57 82 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccccc1)c1ccnc(-n2ccc(O)cc2=O)c1
ir: 3 1 3 2 3 2 2 2 0 3 8 3 1 2 3 3 2 3 3 6 4 3 7 12 7 15 5 2 2 9 16 17 7 10 21 24 19 28 25 14 23 21 11 3 2 5 3 6 5 3 10 17 23 14 3 2 1 2 1 0 1 3 2 1 2 3 3 5 31 12 3 3 11 10 5 0 2 7 5 1 5 9 37 66 12 6 3 5 4 15 4 2 1 2 1 1 6 5 6 2 1 1 1 1 1 1 1 5 2 1 0 3 2 2 3 3 2 2 7 9 10 12 4 3 13 12 5 1 3 4 3 2 1 1 5 6 43 15 3 2 7 16 100 15 16 25 24 17 35 10 9 3 11 16 12 15 11 5 2 3 3 3 8 8 38 3 1 0 1 1 1 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 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 3 2 2 4 15 12 93 57 23 22 12 5 8 16 61 48 11 3 3 2 3 2 1 1 2 1 2 6 6 10 31 56 38 4 2 1 1 1 0 1 1 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 85 85 d 1H J 50 | 83 83 t 1H J 57 | 81 81 d 1H J 21 | 80 79 d 1H J 86 | 76 76 dd 1H J 22 49 | 74 72 m 3H | 73 73 s 2H | 61 61 dd 1H J 13 86 | 59 58 d 1H J 13 | 45 45 dd 2H J 9 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ncn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1cccnc1
ir: 4 2 7 2 2 2 3 3 2 2 2 2 9 2 4 5 1 2 2 2 1 2 3 3 3 2 2 2 2 2 3 1 11 9 12 7 2 3 14 4 2 2 4 6 7 6 16 31 9 0 2 6 7 62 2 3 9 5 4 5 3 2 2 2 11 40 25 17 7 2 4 3 2 4 3 4 2 3 3 3 5 4 2 6 9 4 4 20 8 5 4 7 4 7 60 7 10 4 5 17 7 5 3 2 2 2 2 3 4 8 32 5 3 4 4 3 6 9 6 3 10 12 13 4 3 4 5 7 6 39 5 6 9 5 2 5 3 3 2 2 3 6 6 4 3 2 3 5 44 4 2 3 2 2 2 2 2 2 2 2 4 2 2 2 2 2 13 3 4 3 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 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 2 2 2 1 1 2 2 2 2 2 2 1 2 2 5 1 2 2 2 2 3 4 3 3 6 6 5 7 28 11 13 100 20 48 13 7 3 2 3 3 2 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 89 88 d 1H J 20 | 87 86 dd 1H J 17 48 | 81 80 dt 1H J 18 68 | 78 77 t 1H J 23 | 76 76 p 3H J 9 | 75 75 dd 1H J 48 69 | 56 56 q 2H J 9 | 40 40 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1nc(C(F)(F)F)ccc1C=CC(=O)O
ir: 2 2 4 1 2 2 2 2 2 8 2 4 15 5 3 3 2 8 4 6 2 10 52 8 5 9 8 1 2 6 1 1 2 1 1 1 1 2 2 6 5 59 5 1 6 3 2 1 1 2 1 1 2 31 10 2 3 4 2 2 3 3 1 1 2 3 1 0 2 4 3 1 3 4 7 4 8 8 3 100 7 30 17 5 4 6 8 2 2 2 2 9 6 2 1 2 2 4 34 2 12 7 3 2 2 2 6 3 3 2 1 2 2 2 2 17 3 1 1 2 2 2 2 6 7 4 3 3 3 9 13 37 11 4 3 4 23 29 6 2 2 2 6 2 2 51 5 2 6 3 6 5 3 1 1 1 2 6 3 2 2 1 1 1 1 14 6 2 1 1 1 1 1 2 2 21 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 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 2 1 1 1 2 2 2 3 6 13 3 9 12 18 21 19 6 3 3 2 6 2 1 77 94 2 4 2 0 3 33 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 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; 1HNMR: 100 99 s 1H | 80 79 d 1H J 99 | 78 77 m 2H | 65 64 d 1H J 163 | 34 34 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)=CC(=O)N1CCN(C(=O)OC(C)(C)C)Cc2ccccc21
ir: 12 9 11 15 8 13 8 11 3 9 13 48 17 11 7 7 14 15 14 4 2 5 6 7 2 4 3 0 2 2 3 0 2 4 3 0 3 16 11 14 15 7 17 72 9 7 2 3 3 5 3 2 2 4 2 1 2 3 2 1 4 10 7 3 4 3 2 3 5 8 8 4 7 7 13 23 28 38 27 4 13 25 5 8 3 2 1 2 2 4 19 13 5 2 1 2 11 18 12 5 12 11 5 6 7 5 1 2 4 3 3 4 20 18 6 10 7 18 19 24 29 12 11 21 12 9 3 17 6 9 14 5 17 16 20 21 13 17 39 45 6 6 11 57 19 5 4 8 26 33 100 57 2 4 4 4 2 3 5 11 5 8 30 23 5 2 2 2 2 1 2 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 2 1 3 3 4 4 6 4 3 3 3 4 4 2 5 5 11 15 41 44 22 90 24 25 6 0 2 3 2 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 73 72 m 3H | 71 70 ddd 1H J 16 74 87 | 57 56 hept 1H J 13 | 45 45 d 2H J 9 | 40 39 t 2H J 62 | 38 37 t 2H J 63 | 20 19 dp 7H J 13 141 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(N2CCNCC2)c1
ir: 2 3 1 2 1 1 1 2 2 1 1 2 1 2 2 2 1 10 7 2 3 2 1 10 6 4 4 7 13 1 5 20 9 9 8 4 3 2 3 3 2 1 3 6 4 3 8 43 14 9 9 9 7 21 12 15 14 2 17 12 13 9 4 7 12 18 43 26 37 18 5 10 7 8 3 3 3 2 3 5 4 4 15 2 1 2 3 14 4 11 15 2 2 3 5 8 5 5 7 8 5 1 1 2 1 3 3 4 4 90 13 24 28 31 36 34 30 11 7 4 3 7 3 3 3 1 2 5 8 12 5 2 1 1 1 1 1 1 1 1 2 9 9 3 1 1 1 0 1 1 1 1 4 4 3 4 17 5 2 1 1 8 19 18 3 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 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 0 1 2 1 2 3 3 3 1 1 2 1 1 3 4 15 1 10 100 34 13 2 0 1 1 1 1 1 1 1 1 2 2 2 6 14 7 24 74 16 9 7 10 1 2 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 ddt 1H J 11 72 83 | 66 65 m 1H | 64 64 m 2H | 38 38 s 2H | 33 33 m 4H | 30 29 m 4H | 20 19 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1noc(C)c1-c1cn(Cc2ccccc2)c(=O)c2ccccc12
ir: 3 2 2 4 4 2 2 2 2 4 2 2 2 2 6 3 3 7 5 1 1 4 2 5 6 2 2 3 3 7 22 17 4 6 7 6 2 8 6 13 25 16 100 31 12 0 10 6 5 2 2 5 2 1 2 3 2 1 2 2 2 1 4 3 17 3 7 4 13 13 4 2 4 2 2 5 6 4 5 3 2 1 3 7 7 2 5 2 4 18 3 2 2 2 2 4 4 3 4 7 3 2 3 2 2 3 4 7 19 15 3 3 10 3 2 2 3 3 4 6 11 6 5 8 8 11 2 6 6 10 6 5 7 17 13 21 7 4 17 16 8 6 11 16 17 9 8 9 68 12 4 10 44 51 5 5 1 4 2 1 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 2 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 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 3 3 2 2 1 3 3 2 1 3 3 4 6 6 13 17 15 16 94 18 20 8 24 9 6 2 3 3 2 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 dd 1H J 16 79 | 80 79 dd 1H J 16 82 | 79 79 t 1H J 9 | 76 75 td 1H J 16 79 | 75 74 td 1H J 16 80 | 74 72 m 6H | 52 52 q 2H J 8 | 26 26 s 2H | 25 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCC[C@H]1CN(S(C)(=O)=O)Cc2nc3c[n+]([O-])c4ccccc4c3n21
ir: 19 14 27 32 21 13 12 16 12 18 8 8 7 9 6 6 4 4 5 6 12 13 5 7 9 17 38 34 86 22 8 19 13 9 13 24 18 19 16 34 37 14 20 8 29 100 11 9 5 0 4 8 8 5 7 10 6 7 36 7 5 3 6 12 4 2 10 21 22 13 8 5 8 7 9 6 7 32 15 10 3 45 41 23 14 13 16 23 20 45 72 17 4 5 5 13 11 7 14 14 7 5 9 21 25 9 10 6 4 6 18 7 12 11 13 7 7 18 9 18 18 8 17 27 4 13 15 10 11 17 19 14 7 15 8 7 6 13 18 6 7 14 16 35 31 75 79 15 23 71 39 8 33 6 4 6 6 6 6 3 4 4 14 2 4 6 8 2 3 5 3 2 3 4 3 2 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 3 3 2 4 4 2 3 4 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 3 4 3 2 3 4 3 3 4 3 3 3 3 4 3 3 4 4 3 3 4 4 3 4 4 5 5 6 5 5 5 11 5 5 6 5 9 5 11 12 13 72 32 48 32 45 12 9 15 7 5 6 7 4 4 7 7 6 3 5 4 3 3 4 6 6 7 22 58 57 25 12 6 2 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 3 3 3 4 3 3 3 3 3 2 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 51 51 s 1H | 48 47 t 1H J 52 | 38 38 dd 1H J 16 57 | 37 35 m 4H | 35 34 dd 1H J 34 113 | 32 32 dd 1H J 61 113 | 32 30 m 2H | 29 28 s 3H | 28 27 ddd 1H J 16 46 60 | 24 23 ddd 1H J 16 46 62 | 18 15 m 5H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(/C(=C\C(=O)OC)C(F)(F)F)cc1
ir: 5 2 1 2 6 3 1 2 2 3 14 10 13 3 2 3 13 2 1 1 5 2 1 1 1 1 1 3 10 1 1 4 3 1 2 3 6 2 2 1 1 1 1 2 8 7 4 3 6 2 2 3 3 8 14 6 8 5 3 3 3 2 10 2 2 4 4 1 2 12 3 4 18 83 22 29 10 3 2 2 2 1 2 2 0 20 2 4 1 1 2 2 1 2 2 3 0 1 7 100 41 3 1 1 2 5 6 14 11 3 5 6 7 11 34 35 11 8 7 6 2 2 4 3 3 10 7 3 8 16 4 2 1 2 2 1 1 2 2 1 0 3 3 1 1 19 76 10 24 21 5 5 10 3 2 4 2 5 22 11 3 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 3 2 2 2 2 1 2 2 3 2 4 3 5 10 22 38 41 59 21 27 5 3 3 1 3 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 m 2H | 70 69 m 2H | 66 65 q 1H J 17 | 41 40 q 2H J 66 | 37 37 s 2H | 15 14 t 3H J 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@@](C)(CCO)c1cc(Br)c(F)cc1F
ir: 19 12 14 12 8 7 7 9 7 11 28 13 10 5 13 3 4 4 3 3 4 3 4 3 3 4 5 2 6 13 5 11 9 7 25 24 69 100 41 5 30 19 9 3 8 6 4 1 3 5 7 5 5 5 4 2 5 5 6 3 7 8 6 2 5 8 16 9 29 21 7 4 5 4 6 4 3 5 4 4 7 5 7 6 5 11 15 7 19 14 7 46 45 12 4 15 11 6 4 9 5 3 4 5 5 4 2 11 6 5 2 7 5 7 3 7 10 8 9 6 7 11 6 5 8 4 4 5 10 18 9 17 24 6 8 7 6 3 6 7 7 4 0 41 80 13 18 11 5 22 34 10 14 73 9 2 3 5 3 3 3 4 3 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 4 7 6 5 5 5 4 4 4 5 4 6 7 8 12 17 44 31 6 87 9 3 7 7 6 5 17 98 10 6 5 7 6 3 3 4 3 4 4 5 5 6 9 30 55 5 5 3 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 76 76 t 1H J 41 | 69 69 t 1H J 121 | 63 63 s 1H | 38 37 dtd 1H J 51 60 121 | 37 36 dtd 1H J 52 60 123 | 31 30 t 1H J 53 | 24 23 dt 1H J 60 145 | 21 21 dt 1H J 60 145 | 18 18 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(C(F)(F)F)CC(=O)N1c1cc(C2OCCCO2)c(Cl)cc1F
ir: 0 2 2 6 13 1 2 4 5 2 1 1 1 0 7 1 2 0 1 0 0 2 2 2 2 1 1 1 1 1 1 0 1 1 13 2 1 1 2 16 4 3 23 1 1 3 2 1 6 1 1 0 1 9 17 26 12 4 7 3 1 1 0 0 2 6 20 20 5 8 2 13 2 36 5 7 5 4 4 6 3 1 1 0 0 0 0 1 0 2 9 2 1 7 3 5 4 4 33 3 4 13 3 2 4 2 3 3 7 5 26 22 10 7 19 19 6 4 3 4 3 2 8 3 3 5 2 3 5 20 6 3 1 1 1 0 0 0 1 0 4 1 0 1 2 3 7 2 15 4 3 4 100 48 1 2 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 1 0 1 3 6 7 5 2 1 2 4 5 3 12 27 2 6 26 10 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 dd 1H J 7 43 | 74 74 d 1H J 121 | 57 57 s 1H | 40 39 ddd 2H J 40 67 109 | 39 38 ddd 2H J 40 68 111 | 31 30 m 1H | 29 28 ddq 2H J 22 90 145 | 27 26 ddq 2H J 22 90 151 | 23 21 dtt 1H J 40 68 148 | 16 15 dtt 1H J 40 68 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(-c2nc3cc(F)cc(F)c3c(=O)[nH]2)cc(C)c1OCc1ccccc1
ir: 2 2 3 2 2 2 2 3 2 3 2 5 2 6 6 2 1 3 2 2 5 3 3 3 2 4 5 4 3 7 7 2 3 13 4 2 2 5 13 30 23 53 6 0 2 9 14 100 32 7 5 4 2 2 2 2 2 3 4 8 2 2 6 3 4 16 90 32 15 6 5 5 12 4 3 3 2 3 7 3 2 2 4 2 2 2 2 2 4 3 2 2 2 2 2 2 6 4 3 3 5 2 2 2 2 2 2 6 2 2 3 2 15 4 3 6 3 3 3 3 3 3 3 3 2 2 4 4 4 3 3 4 4 5 9 11 6 3 8 5 25 3 5 7 29 2 5 7 4 2 2 4 4 3 7 3 3 1 2 5 60 4 30 0 41 4 2 0 2 3 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 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 2 2 2 3 3 2 4 5 10 11 10 41 23 9 4 3 2 3 2 2 2 3 2 2 3 2 2 3 2 2 3 2 2 2 8 74 14 12 8 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 8H | 72 71 dd 1H J 22 121 | 70 69 td 1H J 22 121 | 51 50 t 2H J 8 | 22 22 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cc(C(F)(F)F)c(Cl)cc1O)c1ccncc1Cl
ir: 3 2 1 2 2 2 2 4 4 3 2 2 3 5 4 5 4 2 4 2 3 6 7 3 2 2 2 2 3 3 5 3 4 3 8 21 12 2 2 2 4 9 51 43 8 3 3 11 10 4 3 3 2 2 2 3 2 1 2 2 1 1 3 4 2 3 10 20 17 5 4 3 4 7 6 4 3 1 2 3 3 8 55 27 5 4 7 2 1 1 2 2 1 2 2 2 1 3 23 12 1 1 3 2 18 18 3 5 1 1 2 6 5 3 3 2 0 2 4 2 1 10 7 9 6 3 4 1 1 2 3 1 0 4 26 6 2 7 11 7 3 1 27 28 2 3 5 3 2 3 4 13 12 16 32 5 2 4 2 1 4 2 1 1 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 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 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 3 4 4 4 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 2 5 10 43 31 5 4 3 2 3 11 84 100 1 3 4 1 0 2 2 1 2 2 3 2 2 2 8 17 5 8 5 4 3 2 2 1 1 2 2 1 1 4 5 3 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 96 96 s 1H | 88 88 s 1H | 88 88 d 1H J 12 | 87 86 dd 1H J 13 48 | 79 79 q 1H J 21 | 78 77 d 1H J 47 | 70 70 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2ccc(Cl)cc2n(Cc2ccccn2)c(=O)n1S(=O)(=O)c1ccc(Cl)cc1
ir: 2 3 5 9 5 11 5 8 4 5 3 2 3 2 38 4 3 12 10 10 4 1 1 2 2 1 2 11 1 2 4 3 4 13 4 1 2 4 10 5 2 2 2 2 2 7 5 1 14 14 16 9 9 14 22 9 5 3 3 1 1 1 2 1 9 7 7 15 7 11 4 1 2 1 1 1 1 1 1 10 6 10 17 8 6 4 1 2 4 4 2 2 4 3 3 2 2 1 1 1 5 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 2 22 5 4 3 6 15 5 5 1 1 1 2 3 6 2 3 14 8 6 3 1 2 3 4 4 2 2 2 16 3 11 3 2 100 2 6 5 0 12 40 52 0 6 1 2 19 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 1 1 1 2 2 3 7 6 48 72 53 6 7 7 4 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 85 85 dd 1H J 17 41 | 82 81 d 1H J 88 | 78 77 m 2H | 77 77 td 1H J 17 76 | 76 75 m 2H | 74 74 d 1H J 21 | 74 73 dd 1H J 22 90 | 73 73 dq 1H J 10 80 | 72 72 ddd 1H J 15 42 75 | 53 53 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(CS(=O)(=O)c2ccccc2O)ccc(Br)c1OC
ir: 8 5 3 15 16 16 18 8 10 5 4 6 10 6 7 6 13 6 18 10 16 5 22 13 61 32 6 9 5 4 5 5 6 10 6 23 5 0 4 9 8 7 52 50 3 8 5 2 3 3 2 2 3 5 28 6 3 9 5 3 3 6 7 3 13 19 12 5 5 5 4 3 2 2 3 4 3 3 3 3 2 3 7 9 16 44 9 4 4 9 7 19 25 6 5 4 2 4 13 13 14 16 6 4 4 8 6 4 5 5 7 6 19 15 3 3 2 2 4 3 2 2 2 2 2 3 4 2 4 5 3 2 2 3 2 3 10 7 2 9 16 96 16 5 3 5 3 4 20 20 4 4 17 4 7 1 2 3 6 10 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 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 2 2 2 2 2 2 2 2 2 2 3 4 4 2 2 2 3 4 4 11 8 12 31 40 20 100 42 36 6 3 4 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 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 90 90 s 1H | 79 78 dd 1H J 14 85 | 75 75 d 1H J 82 | 74 73 m 1H | 73 72 ddd 1H J 15 76 89 | 71 71 dt 1H J 8 83 | 71 70 dd 1H J 15 84 | 48 48 d 2H J 7 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)OC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1
ir: 7 3 2 7 1 8 2 8 22 5 2 3 2 2 3 4 3 4 6 8 1 2 7 9 13 4 3 4 5 9 8 9 12 29 13 6 1 9 4 1 1 2 2 1 3 37 16 0 1 1 1 2 4 6 5 1 4 31 5 3 2 2 1 2 1 1 1 3 13 9 8 9 2 1 1 3 1 1 1 1 1 2 1 1 1 4 2 0 1 1 0 1 1 2 1 2 5 5 33 2 2 2 4 75 7 12 11 26 1 2 2 2 1 1 2 1 2 3 2 3 4 5 2 3 21 2 2 3 5 2 6 3 2 2 1 2 1 3 4 6 1 16 28 1 3 3 3 1 15 51 10 10 7 37 9 10 15 16 10 31 6 1 2 6 7 5 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 1 1 1 1 1 1 1 1 1 2 3 4 10 7 11 36 20 13 4 5 2 2 1 0 1 1 1 1 1 2 1 2 2 1 2 15 7 5 16 3 100 17 6 3 1 2 3 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 q 1H J 11 | 78 78 d 1H J 21 | 75 75 d 1H J 81 | 74 74 dd 1H J 20 81 | 73 73 d 1H J 22 | 73 73 dd 1H J 22 81 | 73 72 dq 1H J 10 80 | 71 71 s 1H | 63 63 s 1H | 37 37 d 3H J 11 | 23 23 d 3H J 9 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C)c(C)c1N
ir: 30 29 13 10 13 8 4 8 13 11 25 8 9 6 7 6 7 6 5 7 6 6 5 7 11 11 6 9 7 7 7 9 8 6 7 8 7 5 6 8 9 5 6 7 7 6 9 8 20 5 6 7 6 5 6 7 6 6 6 8 6 7 7 7 6 5 6 7 7 6 6 7 5 5 6 7 5 5 6 6 5 5 6 6 5 5 6 6 7 11 11 6 5 5 6 6 5 5 6 6 5 5 7 6 5 5 7 6 5 6 7 6 5 6 7 6 5 7 9 8 6 6 9 9 13 8 7 6 6 6 6 5 5 6 9 17 18 7 6 5 5 6 6 6 10 58 13 5 5 8 8 5 5 6 6 5 6 8 9 27 44 11 6 6 6 6 6 5 6 6 6 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 8 6 6 6 6 5 6 6 8 6 7 6 6 6 6 7 7 6 6 6 6 7 7 6 9 8 7 7 7 6 6 6 6 7 6 5 6 7 5 4 6 7 5 3 7 100 48 14 5 5 5 5 7 7 3 3 16 92 93 14 0 3 10 8 2 4 8 6 3 5 8 6 3 5 8 6 4 5 7 6 4 5 8 6 4 6 7 6 4 6 8 7 5 6 7 5 4 6 7 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 4 5 6 5 4; 1HNMR: 41 40 s 2H | 37 36 s 3H | 22 22 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(Br)c1cccc(Cl)c1
ir: 1 1 1 1 1 1 1 1 1 1 4 11 3 4 2 3 6 6 7 6 3 81 12 2 2 7 1 1 2 1 2 5 1 1 1 1 1 1 1 1 1 1 2 2 1 3 8 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 2 2 2 3 25 44 4 0 4 2 3 4 8 5 1 1 1 1 1 1 2 4 1 1 1 1 1 1 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 3 1 1 6 3 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 8 23 6 3 12 1 1 2 1 1 1 1 1 1 1 3 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 4 2 1 2 1 1 9 69 5 3 2 1 1 1 1 2 8 100 5 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 td 1H J 7 22 | 75 74 t 1H J 78 | 74 74 ddt 1H J 9 22 79 | 73 73 ddd 1H J 14 21 79 | 55 55 d 1H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1cc2cccc(OCC3CO3)c2o1
ir: 3 3 2 3 5 5 6 6 5 5 7 11 8 7 13 8 11 16 13 13 6 8 5 5 4 3 3 4 4 6 4 4 5 8 24 80 44 15 18 10 5 5 4 4 4 5 15 2 20 4 7 10 3 4 4 3 3 3 3 4 3 3 4 4 4 3 4 4 3 3 4 5 6 6 9 10 5 10 16 4 5 3 4 4 3 3 3 3 13 9 4 3 4 6 4 4 4 4 5 4 2 3 3 3 3 7 14 16 10 11 6 4 3 3 3 3 8 9 5 6 6 4 4 12 12 7 3 3 3 3 3 4 3 3 4 13 11 8 8 20 7 3 3 3 4 3 14 20 7 6 5 6 9 2 2 6 13 76 100 11 2 8 3 0 2 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 3 3 4 4 4 4 4 4 4 4 8 8 4 44 17 25 16 15 7 5 4 3 4 3 3 3 3 3 2 3 5 19 13 4 3 3 3 3 3 3 3 2 3 4 35 37 12 4 2 4 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2; 1HNMR: 77 76 d 1H J 23 | 74 73 ddd 1H J 9 22 92 | 72 71 t 1H J 92 | 69 69 dd 1H J 8 94 | 68 68 s 2H | 42 42 dd 1H J 33 115 | 40 39 dd 1H J 33 115 | 34 34 p 1H J 30 | 29 29 dd 1H J 29 77 | 28 27 dd 1H J 28 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCCCCCCCCCCC(=O)O
ir: 3 2 2 2 2 2 3 3 3 3 2 2 3 2 2 2 2 2 3 5 12 15 27 6 5 3 2 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 2 1 1 1 1 1 1 2 3 4 8 31 4 3 2 1 2 2 2 1 2 1 2 2 2 2 1 2 3 2 5 4 4 2 2 2 2 2 4 5 3 3 3 4 3 2 2 2 4 4 6 4 4 4 5 3 4 2 3 2 2 2 3 3 3 2 2 2 2 2 2 1 2 4 4 20 11 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 4 3 1 3 4 2 2 2 2 2 6 8 4 2 0 1 2 1 0 2 3 5 1 100 100 10 5 2 0 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; 1HNMR: 100 99 s 1H | 37 36 s 2H | 23 22 dt 4H J 87 135 | 17 16 tt 2H J 76 89 | 15 14 tt 2H J 74 85 | 13 12 m 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC[C@@H]1CC[C@@H](CCl)CC1
ir: 5 3 1 5 5 2 0 2 4 2 3 2 4 2 0 4 3 1 0 3 3 1 0 3 4 2 1 3 3 1 1 3 3 1 1 3 3 2 5 7 12 4 4 6 5 14 6 4 3 0 2 5 3 8 10 8 3 1 3 4 3 1 2 4 4 1 2 4 2 1 6 4 1 3 3 4 1 1 3 3 1 1 3 3 1 1 3 5 1 1 4 3 4 6 5 25 12 5 10 27 7 5 6 23 22 9 5 7 3 12 37 24 26 18 9 17 37 27 12 15 13 15 6 4 5 3 7 7 6 7 6 2 1 3 3 1 1 3 3 1 2 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 2 1 3 3 1 1 3 3 1 2 3 3 2 2 3 3 3 10 6 4 6 30 11 11 9 11 9 18 10 16 87 100 60 4 6 4 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 37 36 dd 1H J 33 112 | 35 34 dd 1H J 33 112 | 19 18 tt 1H J 34 64 | 16 15 dddd 2H J 35 56 81 135 | 15 11 m 13H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC2CC1CN2c1ccc(I)cc1
ir: 3 8 14 5 4 7 7 4 12 27 33 12 21 6 17 13 9 2 1 2 1 0 1 1 1 0 0 2 4 2 1 1 1 1 1 0 6 0 1 2 1 0 1 1 1 1 1 1 1 1 1 3 2 4 35 4 11 5 4 6 6 9 3 3 5 1 2 13 3 6 3 1 1 4 1 1 6 4 2 2 2 19 3 1 1 1 1 5 1 1 1 2 3 3 3 13 5 4 4 5 9 4 12 3 3 1 6 10 14 6 14 7 16 35 8 3 15 6 6 4 6 4 2 2 2 8 8 6 12 25 13 9 4 21 6 9 7 3 1 1 1 1 1 1 1 4 19 20 36 14 11 26 14 28 3 2 1 2 1 0 1 3 38 5 2 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 2 4 6 3 1 3 3 7 3 5 4 6 29 10 18 46 100 33 27 30 19 6 6 2 3 2 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 68 68 m 2H | 45 45 tt 1H J 22 33 | 41 41 dd 1H J 24 109 | 40 39 dd 1H J 24 104 | 38 37 m 2H | 37 37 dd 1H J 22 105 | 22 21 dt 1H J 34 115 | 19 19 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCN(C)C(=O)c1ccc(Cl)nc1
ir: 17 14 16 38 30 31 19 7 4 12 12 11 2 5 6 3 1 6 17 6 3 4 5 3 2 4 36 70 0 7 9 15 6 15 39 15 21 100 20 12 7 13 12 11 9 11 5 3 4 6 10 53 25 66 12 9 6 10 5 1 5 8 6 2 16 10 7 9 18 15 8 4 5 6 4 2 8 8 8 2 6 8 29 16 14 16 12 7 13 9 8 6 17 28 10 5 6 5 5 8 8 7 2 5 16 17 3 3 7 4 1 4 8 4 3 4 9 7 6 11 17 22 60 31 40 13 8 9 11 7 0 66 66 14 11 4 8 9 7 8 7 6 4 6 7 12 39 59 15 26 8 10 10 4 6 6 5 3 4 10 29 38 5 4 4 2 3 5 4 2 3 5 3 2 3 5 3 2 3 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 3 5 3 2 4 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 5 4 2 3 5 5 3 4 5 4 3 5 6 6 11 6 11 7 13 23 20 7 4 6 5 4 2 4 5 4 3 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 89 89 d 1H J 20 | 80 80 dd 1H J 20 84 | 74 74 d 1H J 84 | 35 34 t 2H J 66 | 30 30 s 3H | 28 28 t 2H J 66 | 24 23 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nn(Cc2ccc(C)nc2OC)c2cccc(NC(=O)c3cnc4ccccn34)c12
ir: 6 6 0 4 7 3 1 3 9 4 1 5 6 4 2 5 6 4 4 7 8 3 2 6 9 3 3 6 5 3 7 9 9 4 7 6 8 4 6 13 8 2 20 45 24 16 31 15 27 32 19 9 5 1 4 6 4 0 4 9 5 4 8 9 5 3 5 5 6 3 7 8 8 3 5 6 6 4 9 9 5 8 8 7 6 1 7 10 9 15 8 17 9 4 10 7 5 4 7 6 2 4 6 4 2 8 25 13 4 6 13 12 17 17 15 11 7 9 14 5 8 8 7 11 6 9 16 13 5 10 9 4 2 5 6 6 25 20 12 13 25 12 6 9 8 7 9 17 20 10 22 7 6 10 9 2 3 5 5 17 11 8 15 15 5 6 7 10 4 6 4 2 3 5 6 0 3 5 3 1 3 5 2 1 3 5 2 1 3 4 2 2 4 4 2 1 4 4 2 2 4 4 2 2 4 4 1 2 4 4 1 2 4 3 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 7 13 7 6 3 5 8 8 5 10 9 12 17 13 45 57 70 100 84 24 22 15 16 8 4 6 7 4 4 5 5 4 2 4 5 3 3 5 5 4 7 7 25 16 7 12 5 3 2 4 4 2 2 4 4 1 2 4 3 2 3 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 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 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1; 1HNMR: 95 95 dd 1H J 16 83 | 86 86 s 1H | 78 77 dd 1H J 14 81 | 77 76 ddd 1H J 13 69 79 | 75 73 m 4H | 72 71 ddd 1H J 15 69 83 | 69 68 m 1H | 55 54 d 2H J 9 | 40 39 s 3H | 29 28 q 2H J 68 | 25 24 d 3H J 7 | 14 13 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2ncc(Br)s2)CCCCC1
ir: 3 4 4 6 8 7 3 3 6 3 2 3 3 2 2 2 2 2 2 2 3 3 5 4 4 6 4 6 8 19 12 8 4 3 3 12 6 4 10 12 9 4 8 7 5 4 9 15 44 32 5 6 4 11 12 11 9 6 10 11 13 7 5 4 2 2 3 3 3 2 3 3 2 1 3 3 2 1 3 9 14 9 4 3 2 2 4 7 1 5 4 5 3 4 9 14 1 5 15 20 97 44 13 5 10 6 2 4 9 9 17 41 100 54 31 27 24 30 42 17 8 7 8 10 15 10 9 8 13 7 10 7 12 18 9 5 5 3 2 4 4 3 3 3 3 3 2 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 1 8 6 0 2 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 3 2 3 2 3 3 2 3 3 3 2 3 5 4 10 9 7 20 21 6 28 8 16 7 14 8 80 42 10 8 7 49 48 56 11 4 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 s 1H | 24 24 ddd 2H J 42 68 143 | 22 21 ddd 2H J 42 69 143 | 19 17 ddddd 2H J 42 51 60 69 122 | 17 16 dddd 2H J 44 59 111 131 | 16 15 ttd 2H J 14 49 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1
ir: 2 3 5 6 9 4 4 4 6 6 9 13 14 5 3 4 5 3 2 2 2 2 2 2 1 2 2 2 4 4 17 11 14 7 4 4 3 3 3 4 15 6 44 1 3 7 3 3 2 2 2 1 2 4 2 1 2 2 3 3 2 3 3 2 5 2 3 2 6 9 2 2 6 6 2 2 4 6 4 3 2 2 3 3 6 4 4 4 3 5 2 2 2 2 3 2 4 5 6 3 2 2 2 2 5 3 2 2 2 2 2 5 3 3 7 5 9 6 7 7 12 8 14 10 14 3 2 4 3 5 6 7 6 9 10 11 5 6 4 3 2 4 4 30 17 9 8 0 5 9 3 14 5 1 2 3 2 1 1 2 6 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 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 2 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 3 6 3 3 3 2 3 3 4 11 14 13 17 100 30 11 5 3 3 3 2 2 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 73 73 m 5H | 73 72 m 3H | 69 68 tt 1H J 14 79 | 68 68 m 2H | 45 45 d 2H J 8 | 44 44 s 2H | 38 38 ddd 2H J 42 70 126 | 35 34 ddd 2H J 42 70 126 | 24 23 ddd 2H J 41 69 123 | 21 20 ddd 2H J 41 69 123 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc2c1cc1n2CCCC1
ir: 35 10 7 4 6 9 11 10 6 9 8 2 3 2 1 2 5 14 10 3 2 3 3 2 2 0 5 2 2 1 1 6 3 1 1 2 6 3 2 2 2 1 2 12 26 13 10 24 12 9 8 3 3 1 1 5 5 3 7 4 2 1 2 2 1 0 2 5 2 5 4 2 1 1 1 5 4 15 9 25 10 1 2 2 1 0 1 2 1 2 2 2 1 1 2 2 21 21 5 5 6 3 28 23 3 4 5 2 1 2 4 7 7 11 23 11 8 55 19 11 4 3 4 1 0 3 4 4 1 2 3 5 0 3 5 10 4 2 2 2 7 13 11 2 4 91 48 10 4 3 1 2 1 1 2 10 31 1 1 3 22 3 2 0 1 1 1 0 1 2 1 0 1 2 1 0 2 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 4 4 7 5 3 4 2 3 6 42 26 5 20 100 98 56 15 5 3 3 2 2 2 1 1 2 1 0 1 2 0 0 1 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 m 1H | 75 74 m 1H | 73 73 dd 1H J 67 74 | 67 67 d 1H J 9 | 40 39 m 5H | 27 26 ddt 2H J 9 48 65 | 18 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)C[C@@H]2CCC(=O)N2)cc1
ir: 15 14 12 12 15 6 2 4 10 27 12 43 48 10 5 6 6 6 7 19 83 100 31 12 7 14 11 14 7 3 5 5 7 1 1 1 2 1 1 2 8 6 3 4 4 7 4 8 5 6 2 5 14 19 8 5 6 4 2 3 2 2 4 8 16 10 8 7 4 8 7 5 4 3 4 3 2 2 3 2 3 14 13 9 22 4 3 5 4 4 3 7 3 21 12 5 1 2 4 12 4 32 46 9 5 2 5 2 1 4 5 4 6 9 21 15 5 3 6 4 5 8 6 17 5 18 22 9 3 3 4 7 9 13 13 5 2 2 2 1 1 1 1 1 2 3 5 7 5 7 5 13 13 52 58 29 6 5 1 0 3 3 2 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 2 2 3 2 3 3 7 8 5 4 4 4 4 42 15 35 32 20 18 5 4 5 3 2 1 2 2 1 2 2 1 2 2 2 1 1 2 4 8 24 11 46 19 27 24 14 3 1 2 2 1 1 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 77 m 3H | 74 74 m 2H | 42 41 m 1H | 34 33 dd 1H J 83 152 | 31 30 dd 1H J 83 153 | 25 24 dddd 1H J 16 51 70 148 | 24 24 s 2H | 24 24 s 1H | 24 23 ddd 1H J 53 71 150 | 22 21 dddd 1H J 39 49 72 123 | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCCc2oc3cc(S(=O)(=O)c4ccccc4)ccc3c2C1
ir: 3 5 7 9 4 4 8 7 8 7 15 16 15 11 7 5 2 4 4 3 3 29 8 26 4 3 3 2 2 9 34 7 5 5 8 6 6 31 5 12 100 13 5 3 3 4 3 2 3 5 3 1 3 6 33 6 10 6 3 1 3 7 8 7 9 8 5 4 5 5 2 1 3 4 2 1 3 9 5 2 3 5 0 43 21 23 15 4 2 6 2 3 4 4 3 3 3 5 6 8 4 4 2 3 5 3 2 2 3 3 3 4 6 11 11 6 5 10 6 9 8 9 14 11 8 9 4 10 7 6 6 4 7 5 9 5 4 5 2 2 3 8 5 7 3 5 9 7 3 2 4 41 7 4 3 3 2 2 3 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 2 2 2 3 4 2 2 3 3 4 4 4 4 3 4 3 4 11 12 14 20 31 16 16 5 2 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3; 1HNMR: 79 78 dt 2H J 12 81 | 78 77 m 3H | 76 75 m 4H | 46 45 s 2H | 34 34 t 2H J 63 | 27 26 t 2H J 81 | 21 20 tt 2H J 63 80 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC(C(N)=O)(c2ccc(Cl)cc2)CC1
ir: 3 11 11 16 4 7 6 19 43 12 58 35 24 14 21 18 36 100 21 18 17 11 3 5 8 6 12 10 10 6 5 24 25 64 71 42 12 4 10 6 8 15 9 7 8 1 5 3 2 4 5 18 19 18 21 45 12 13 10 13 8 10 2 5 2 2 2 3 2 8 6 1 4 3 5 8 5 2 4 2 4 24 24 4 5 4 8 17 3 2 1 1 2 3 3 4 6 7 3 5 6 5 3 4 4 3 2 1 3 2 4 4 1 13 11 23 12 21 17 33 13 14 14 8 16 11 11 7 13 11 16 16 18 4 13 10 19 8 4 1 2 1 3 5 36 32 10 19 25 41 71 46 4 8 10 3 17 86 26 6 4 0 7 4 1 0 1 1 0 0 1 1 1 0 1 0 1 1 0 1 1 0 0 0 0 0 0 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 0 0 1 1 0 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 5 3 2 3 4 2 9 5 3 3 4 2 5 15 19 66 31 31 29 20 11 4 4 4 2 1 1 1 1 1 1 1 1 1 3 12 3 1 1 1 1 1 1 1 1 2 1 33 27 26 2 6 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 s 4H | 68 67 s 2H | 38 38 ddd 2H J 42 70 126 | 35 35 ddd 2H J 40 68 126 | 25 25 ddd 2H J 42 69 139 | 23 22 ddd 2H J 41 69 139 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CC(=O)NC1CCCOC1CCCCO1
ir: 4 2 1 3 9 6 4 6 9 2 1 2 4 3 3 5 6 9 23 12 14 10 9 17 28 32 16 5 7 2 3 4 3 2 1 3 3 2 2 3 2 1 2 3 3 3 3 5 3 1 5 7 6 1 7 4 4 1 2 7 2 1 2 3 2 1 3 4 7 5 8 6 2 5 4 13 7 10 10 6 5 3 2 2 1 1 2 3 1 1 3 2 1 1 2 2 0 2 5 3 1 3 5 3 5 4 3 4 7 6 7 8 12 7 7 7 6 5 5 8 4 5 4 5 12 16 9 5 3 8 7 4 1 4 4 2 0 3 3 1 0 2 3 1 1 3 3 0 1 4 4 6 17 100 42 22 8 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 0 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 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 2 4 5 3 5 4 8 5 2 7 19 15 7 2 3 1 0 2 3 1 0 2 2 1 1 2 2 2 1 2 3 2 2 3 4 7 8 13 19 33 20 13 10 3 3 3 2 2 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 55 54 d 1H J 66 | 46 45 t 1H J 34 | 37 36 m 2H | 36 34 m 3H | 25 24 dd 1H J 55 156 | 22 22 dd 1H J 54 157 | 21 20 hept 1H J 55 | 18 14 m 10H | 9 9 dd 3H J 15 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)COC(=O)c1c(OCC(=C)C)ccc(F)c1F
ir: 5 11 33 23 2 12 11 6 7 7 5 3 2 3 8 3 4 3 8 5 6 6 3 3 2 3 5 3 3 2 1 0 1 5 8 1 3 2 2 4 4 2 2 1 1 3 2 6 5 4 2 1 2 4 26 6 3 4 4 4 3 3 4 4 7 7 13 31 13 18 6 7 7 14 24 10 22 7 3 2 1 2 1 1 2 2 1 3 6 10 3 2 2 2 0 1 2 1 0 3 8 12 1 2 2 3 2 1 2 5 6 3 4 18 11 6 4 9 8 8 5 6 3 5 2 2 3 4 7 9 6 4 6 7 3 2 3 2 6 4 7 14 13 11 11 28 6 5 15 15 7 5 24 46 8 5 6 12 5 18 11 2 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 2 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 0 1 2 1 1 1 2 3 1 2 4 5 2 2 3 2 3 17 19 9 11 11 14 31 31 24 3 17 100 64 18 2 0 2 2 3 0 2 2 1 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 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: 74 73 td 1H J 48 100 | 69 69 dd 1H J 47 100 | 52 51 hept 1H J 15 | 51 50 hept 1H J 15 | 50 50 dp 1H J 10 21 | 49 49 dh 1H J 10 21 | 47 47 t 2H J 14 | 44 44 t 2H J 13 | 18 18 t 3H J 11 | 18 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(CN2CCc3cc(O)ccc3C2)c1
ir: 8 11 7 7 7 6 6 6 5 6 7 5 11 6 5 6 6 7 7 7 6 6 6 6 6 6 6 5 6 5 9 9 6 6 6 6 6 6 6 7 7 6 6 6 7 11 12 8 14 8 11 17 11 12 12 7 15 12 6 7 7 6 5 6 9 7 9 17 32 20 9 7 6 7 6 5 11 32 49 30 21 100 41 7 7 11 26 18 17 16 22 9 12 16 9 6 6 6 7 8 8 7 7 6 7 6 7 9 6 5 5 5 6 6 6 6 6 6 6 6 6 6 5 8 15 8 9 11 8 10 16 13 7 7 10 10 6 5 6 6 11 11 25 6 6 6 6 5 5 9 18 10 15 13 12 19 6 6 6 5 6 36 13 7 6 5 5 6 5 5 6 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 5 5 5 5 5 5 5 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 6 6 5 8 9 6 5 5 6 6 5 5 7 7 5 6 7 6 5 6 9 7 8 11 10 25 54 33 9 7 2 10 15 29 48 21 0 8 10 5 3 6 7 5 4 6 6 5 5 6 6 5 5 6 6 5 5 6 5 5 5 6 5 5 6 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 73 72 dd 1H J 74 81 | 71 71 ddq 1H J 9 20 82 | 69 69 dt 1H J 9 88 | 68 68 m 2H | 66 66 dd 1H J 22 90 | 65 65 dt 1H J 9 20 | 64 64 s 1H | 39 38 d 2H J 10 | 38 38 s 2H | 37 36 t 2H J 9 | 30 29 m 2H | 28 28 td 2H J 9 47
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(N)cc1C=NO
ir: 11 33 35 28 18 12 7 5 3 7 5 7 7 28 25 21 10 8 7 5 3 5 24 18 18 3 3 2 2 1 1 3 2 1 2 2 1 2 1 1 2 1 1 2 2 1 1 2 2 2 4 2 1 1 1 2 1 1 1 2 1 2 2 2 1 1 1 1 3 2 1 1 4 13 21 21 7 7 5 4 2 6 2 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 5 11 9 1 1 1 1 2 5 1 0 7 11 6 3 1 1 1 0 1 0 0 1 0 1 1 1 0 0 0 1 1 1 1 7 7 1 1 1 1 0 1 29 24 1 0 1 1 1 1 2 5 13 17 3 2 9 73 78 7 3 1 26 37 1 1 1 0 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 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 2 2 1 2 1 1 2 2 2 1 1 2 5 3 1 1 0 1 7 11 1 1 0 1 1 0 1 4 49 41 2 2 1 1 1 1 0 1 1 2 76 100 2 1 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 s 1H | 78 78 s 1H | 62 62 s 1H | 40 40 s 3H | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C2CC2)csc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
ir: 6 10 12 3 3 3 4 3 9 10 9 12 6 3 5 9 3 5 12 3 3 5 10 5 2 2 8 3 3 1 2 2 2 2 3 3 2 3 4 6 4 3 2 2 6 3 3 2 1 1 2 1 1 2 2 2 5 12 7 1 7 2 5 2 2 3 1 1 1 1 1 1 2 3 3 4 1 1 1 1 1 1 1 1 1 1 3 4 1 1 2 2 1 2 1 1 1 3 2 2 1 2 3 4 1 2 2 5 24 3 21 7 2 2 4 2 2 2 6 5 4 6 13 2 2 1 1 2 6 7 22 12 4 1 1 2 2 1 1 3 4 4 1 1 3 3 1 4 3 23 5 14 5 7 4 7 100 10 3 0 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 2 2 2 1 1 1 1 1 3 2 4 7 4 27 11 6 4 4 2 14 3 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 69 69 d 1H J 8 | 44 43 q 2H J 64 | 30 29 m 1H | 18 17 m 2H | 15 15 m 2H | 15 14 s 16H | 14 14 t 4H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(NC(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1
ir: 3 6 8 7 10 16 16 9 4 14 7 11 11 13 50 46 9 16 16 13 4 8 10 21 5 6 10 5 3 8 8 11 8 11 22 16 35 23 49 44 33 42 15 19 13 10 5 5 6 8 5 4 7 9 19 22 14 21 4 10 7 10 11 1 11 56 25 12 15 11 8 4 6 7 6 7 16 7 7 13 18 14 8 11 50 56 28 11 12 10 8 5 6 34 15 7 9 7 5 12 14 11 5 8 10 18 24 6 5 11 7 6 5 7 14 5 6 5 5 6 6 8 5 5 9 5 2 5 5 4 4 4 4 3 3 4 7 4 6 6 15 3 4 3 5 6 44 7 7 24 19 4 6 24 5 7 8 32 100 15 7 94 2 8 4 0 3 6 4 1 3 5 3 1 3 5 3 2 3 5 3 2 3 4 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 2 4 3 3 3 5 4 3 3 6 6 4 4 5 4 3 4 4 5 4 5 7 6 15 10 11 17 28 26 8 7 3 4 4 4 3 4 4 3 5 5 5 4 5 24 8 4 4 6 5 5 19 30 10 10 7 9 21 78 4 7 7 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 4 4 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4; 1HNMR: 80 79 dd 1H J 47 93 | 78 77 dd 1H J 23 94 | 74 74 dd 1H J 22 121 | 64 64 s 2H | 33 32 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnn(-c2ccc(Cl)c(Cl)c2Cl)c1NCCCl
ir: 2 8 14 27 84 34 10 21 4 5 12 17 30 7 22 17 11 14 9 7 9 10 4 9 3 4 4 3 3 1 2 2 5 2 5 14 44 78 5 5 6 2 4 4 2 1 1 2 1 1 2 6 3 3 66 31 6 1 1 3 2 1 2 3 2 1 1 3 2 1 2 4 2 0 1 2 1 0 2 2 1 6 2 1 1 1 2 3 5 2 3 2 2 9 8 3 1 1 8 5 1 2 15 2 1 2 4 5 2 8 3 3 4 7 14 6 1 8 10 9 27 8 5 7 9 9 100 5 3 7 12 25 46 4 4 2 1 2 6 2 1 2 2 12 2 4 21 53 8 7 10 3 5 6 76 5 2 2 2 6 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 36 1 2 1 0 1 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 0 1 1 1 1 1 2 1 1 2 4 2 1 1 3 2 1 2 13 8 6 4 27 12 3 5 4 3 1 2 3 2 0 2 2 2 1 2 3 2 2 5 6 8 25 63 33 36 33 14 10 3 3 4 4 3 3 2 3 1 1 2 1 1 1 2 1 1 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 83 s 1H | 76 76 d 1H J 88 | 74 73 d 1H J 86 | 64 63 t 1H J 42 | 39 38 dt 2H J 16 42 | 37 36 t 2H J 16
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(C)(C#N)C(=O)O
ir: 9 2 2 3 5 8 15 10 11 4 3 4 6 5 4 10 10 17 17 50 13 69 77 14 29 8 25 18 14 19 9 8 6 4 2 3 3 2 1 3 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 3 2 2 4 4 4 4 3 10 9 4 23 18 16 0 13 22 26 55 83 52 49 100 56 11 11 13 15 7 10 4 5 2 2 2 1 2 2 3 2 2 3 3 2 3 3 2 2 1 2 1 1 1 2 4 7 19 32 12 10 21 14 9 4 2 1 3 5 6 4 7 1 4 4 2 4 14 29 34 19 24 14 8 33 50 23 23 52 5 2 4 3 1 1 2 2 0 1 5 2 1 4 3 2 0 1 2 2 0 1 2 1 0 1 2 1 0 2 3 8 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 3 2 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 2 2 2 3 2 1 1 2 2 1 2 23 7 3 14 13 12 15 11 11 10 3 3 7 5 6 7 20 85 44 39 3 3 3 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 61 60 ddq 1H J 9 115 168 | 54 53 dd 1H J 21 169 | 52 52 dd 1H J 22 115 | 17 17 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNC1COc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)cnc2C1
ir: 10 4 7 6 5 5 6 3 8 7 6 7 8 8 13 15 13 24 9 12 12 5 7 9 3 5 4 3 4 10 4 7 6 3 15 11 13 5 5 2 12 6 7 7 13 8 6 3 6 9 5 6 3 7 21 13 2 1 2 0 4 4 4 10 12 4 3 33 7 23 8 1 2 5 2 3 4 6 2 1 2 2 2 2 29 25 6 4 6 22 6 13 14 16 4 3 3 3 5 7 12 9 2 4 2 4 6 6 26 100 6 6 3 4 5 16 7 4 5 13 13 9 4 10 7 4 3 4 12 8 4 18 6 1 1 1 3 3 15 31 1 2 1 1 1 2 2 19 7 3 1 1 1 1 3 5 1 0 0 1 1 7 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 0 1 0 0 1 1 1 1 1 3 2 2 2 2 1 3 3 3 6 13 4 11 32 18 2 1 1 2 2 1 1 1 1 1 1 1 2 1 3 3 5 21 63 5 2 6 4 3 45 31 17 3 3 1 1 1 1 0 0 1 1 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 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 1 0 0 0 1; 1HNMR: 90 90 s 1H | 85 84 d 1H J 16 | 78 78 m 2H | 74 74 m 2H | 71 71 d 1H J 16 | 44 43 dd 1H J 41 114 | 41 40 dd 1H J 41 114 | 35 34 dddd 1H J 42 59 82 99 | 33 32 dt 1H J 44 79 | 31 30 dd 1H J 58 162 | 29 28 m 1H | 28 27 m 2H | 27 26 dtd 1H J 44 54 135 | 16 14 dddd 2H J 53 68 125 140 | 13 12 d 6H J 66 | 9 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1nc(N2CCc3ccccc32)sc2ncccc12
ir: 2 5 4 1 2 12 8 4 1 4 4 3 1 1 2 4 1 9 2 1 1 1 2 3 1 1 1 1 1 6 3 2 1 3 3 0 3 6 94 70 4 7 21 75 8 8 5 3 1 3 1 1 1 1 1 3 1 1 1 2 2 2 46 5 2 1 1 1 1 1 1 1 1 10 4 10 4 2 5 18 5 1 1 1 7 8 4 2 4 3 1 1 1 1 1 2 10 2 1 2 2 3 1 1 1 1 1 1 3 6 16 6 33 3 1 4 10 5 2 2 3 3 4 3 4 5 69 40 30 6 3 1 0 1 2 0 1 1 3 4 29 4 4 8 27 7 2 2 1 2 32 100 7 25 33 30 9 8 3 7 7 2 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 4 3 8 5 12 21 34 14 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 dd 1H J 21 39 | 79 78 dd 1H J 21 69 | 76 76 dd 1H J 39 69 | 73 73 dd 1H J 14 74 | 72 72 td 1H J 17 76 | 71 70 ddt 1H J 9 18 81 | 67 66 td 1H J 15 79 | 39 38 m 2H | 32 31 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(O)CNCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1
ir: 4 21 7 13 10 5 4 12 16 15 6 4 8 5 8 8 5 7 5 3 2 3 7 16 14 6 4 2 4 3 9 16 20 9 6 2 7 2 3 3 2 2 4 7 5 11 11 14 11 17 7 9 11 7 4 36 100 2 4 9 16 10 8 3 8 5 4 2 2 3 1 1 17 48 7 5 2 4 4 11 27 13 4 5 8 20 9 8 5 7 4 3 2 3 6 11 10 4 4 6 9 4 3 3 4 8 12 7 6 17 14 53 3 3 8 2 57 19 11 8 8 2 3 3 6 8 2 12 9 25 5 3 13 21 7 36 26 19 5 6 32 4 1 1 1 1 5 7 2 1 1 1 45 4 1 33 1 3 1 0 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 3 2 1 1 1 1 2 2 4 10 8 3 9 22 1 2 3 2 3 27 13 3 1 1 1 1 1 1 2 1 2 10 32 10 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 81 | 75 74 dt 1H J 9 80 | 44 44 tt 1H J 46 62 | 40 40 dd 2H J 9 46 | 39 36 m 9H | 29 29 d 2H J 62 | 28 28 s 1H | 12 12 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCc1cc(Cl)ccc1O
ir: 2 3 2 3 1 2 3 5 5 7 3 5 5 9 15 6 2 13 13 8 13 6 5 1 2 5 3 3 1 1 2 2 1 1 3 4 1 1 2 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 11 1 1 0 1 1 2 2 4 0 1 1 4 3 5 2 1 0 1 1 1 1 1 2 1 3 2 6 4 1 0 4 2 2 1 3 14 11 4 8 3 5 4 5 6 2 1 1 2 3 21 3 1 1 1 0 0 1 2 4 2 1 4 2 1 3 5 11 0 1 2 1 3 1 1 1 2 1 5 2 1 1 1 0 0 1 1 1 3 19 52 5 5 0 1 10 1 1 5 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 2 2 1 1 1 1 2 1 5 5 1 26 8 13 5 3 100 19 14 1 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 71 dd 1H J 26 77 | 70 70 dt 1H J 9 25 | 68 67 d 1H J 77 | 55 54 s 1H | 37 36 s 3H | 29 28 ddt 2H J 11 81 88 | 28 27 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1
ir: 0 7 8 5 5 7 3 15 2 9 3 6 2 8 3 4 1 2 3 3 2 3 4 2 6 3 5 2 11 4 5 7 9 6 5 3 4 9 4 1 2 3 3 1 2 3 3 2 10 6 4 1 11 7 35 6 32 25 29 17 7 5 3 1 2 4 3 3 4 6 2 2 4 15 8 7 6 5 7 20 14 4 1 26 52 26 5 7 3 3 2 2 2 5 2 2 6 8 22 5 5 2 6 2 3 2 1 2 3 3 1 3 4 6 3 7 7 8 3 6 7 3 3 5 4 14 6 3 5 23 3 5 22 12 3 2 2 1 1 2 2 1 2 3 4 2 100 13 4 4 3 4 16 2 2 3 2 1 2 3 5 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 25 0 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 5 1 2 3 4 3 3 4 4 2 2 4 5 9 18 6 12 8 6 8 4 5 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 77 76 m 2H | 70 70 m 2H | 45 44 p 1H J 45 | 37 37 s 2H | 35 33 dddd 4H J 68 93 128 447 | 26 26 s 2H | 25 25 s 2H | 23 22 dddd 3H J 45 68 95 121 | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc(C3(O)CCN(C(=O)N(C)O)CC3)c(F)c2-c2ccc(C)cc2)cc1
ir: 12 8 9 6 10 17 8 8 4 3 4 9 3 4 1 3 9 6 21 6 5 3 1 3 4 4 3 3 2 1 1 2 4 2 2 2 4 9 10 13 9 2 3 3 3 1 2 3 3 10 3 2 3 6 29 41 15 0 3 9 3 4 4 5 3 4 2 4 3 9 4 2 2 2 3 2 3 6 9 8 13 18 11 4 4 7 11 36 59 13 6 8 10 12 5 4 3 3 6 2 1 3 1 29 5 12 6 2 0 3 4 2 1 1 3 4 4 5 6 3 6 5 14 6 15 18 8 3 3 3 3 1 1 2 4 8 3 3 6 8 6 10 7 13 2 2 3 1 5 17 15 21 100 9 1 3 2 1 1 1 1 2 1 2 1 1 1 0 1 2 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 1 1 1 0 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 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 2 3 3 2 2 3 2 1 3 5 16 12 23 72 16 8 5 5 4 9 11 89 15 5 1 2 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 87 86 s 1H | 76 76 m 2H | 76 75 m 2H | 73 73 m 2H | 71 71 m 2H | 48 47 s 1H | 39 38 ddd 2H J 45 72 120 | 38 38 s 3H | 35 34 m 2H | 32 32 s 3H | 26 26 ddd 2H J 46 73 148 | 24 23 d 3H J 8 | 23 23 ddd 2H J 45 72 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ccc(C#N)c(F)c2)[C@@H](C)CN1
ir: 1 2 4 2 1 2 3 2 2 5 5 2 1 1 2 1 0 2 2 1 2 1 2 1 1 2 2 3 2 3 2 1 4 2 3 3 3 5 4 4 5 4 5 1 3 2 2 3 2 20 20 2 6 2 37 25 12 7 3 3 5 6 30 6 6 9 7 17 13 16 3 3 10 3 2 9 5 6 5 6 3 2 1 1 2 2 2 5 5 7 2 5 4 2 0 7 3 4 6 5 7 2 4 5 10 7 4 7 62 27 13 7 6 4 1 4 8 6 1 4 7 5 4 3 3 4 1 4 8 7 6 3 2 2 1 4 2 1 1 2 12 2 1 2 1 1 1 2 2 2 6 3 17 10 6 4 1 1 1 2 1 11 3 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 36 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 2 1 1 2 2 1 1 2 2 1 3 3 6 6 8 7 4 27 30 6 3 2 2 2 1 1 2 2 1 1 2 3 1 3 6 6 32 100 21 5 2 3 2 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 75 m 1H | 68 67 m 2H | 37 36 dd 1H J 14 119 | 36 35 qdd 1H J 23 50 71 | 34 34 dd 1H J 43 118 | 30 29 m 2H | 28 27 dt 1H J 48 115 | 22 21 dt 1H J 44 66 | 13 12 d 3H J 73 | 12 11 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CCc1cccc(Cl)c1)c1ccncc1
ir: 1 1 1 2 1 1 0 0 0 0 0 0 0 1 1 3 5 9 1 1 1 1 0 1 1 0 0 1 2 3 17 4 4 13 2 0 1 3 2 17 2 1 1 4 7 4 15 13 5 2 1 0 0 0 1 1 0 0 0 1 2 0 0 6 3 5 6 9 5 4 9 11 7 20 4 3 4 5 3 3 1 2 1 4 1 2 3 5 1 5 14 2 1 2 1 2 6 6 5 4 2 1 1 2 1 3 1 1 1 1 0 11 3 1 2 3 2 3 3 4 4 2 2 1 5 8 2 3 1 5 2 1 1 0 0 2 6 2 2 19 7 8 1 1 1 2 4 13 8 2 2 4 1 2 2 1 1 0 1 27 55 7 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 1 1 0 1 3 3 1 3 6 5 7 37 100 21 16 4 4 3 4 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 m 2H | 73 72 m 2H | 72 71 m 4H | 29 27 m 2H | 27 26 dtt 1H J 9 81 131 | 21 19 dtd 1H J 65 81 144 | 18 17 dtd 1H J 64 81 143 | 12 12 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCC1CCN(c2ncc(Br)c3cc(C(N)=O)sc23)CC1
ir: 2 2 2 1 1 1 1 2 2 1 2 2 2 16 16 3 6 12 5 2 2 4 7 8 2 2 2 2 2 2 2 2 1 1 1 2 6 9 5 12 35 19 2 2 3 4 5 3 2 1 2 2 2 1 2 2 2 3 3 8 11 3 2 1 3 2 2 1 2 3 5 2 32 52 3 5 6 3 3 2 3 5 6 3 2 2 4 5 2 1 1 1 2 1 2 4 2 4 4 3 2 2 2 1 2 2 5 3 3 2 2 1 2 3 1 2 1 1 1 2 2 2 6 13 4 3 3 6 10 3 2 8 12 22 22 12 4 6 4 1 1 4 2 1 1 2 10 12 11 8 2 1 1 2 2 0 43 6 48 10 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 2 2 1 2 1 4 3 2 1 2 3 2 1 1 1 1 1 2 2 3 6 5 7 11 13 14 9 4 3 5 76 100 6 3 2 3 2 4 67 78 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 82 d 2H J 77 | 72 72 s 2H | 38 37 ddd 2H J 60 88 135 | 34 33 ddd 2H J 60 88 136 | 27 26 tt 2H J 51 68 | 20 19 m 4H | 18 17 ddt 2H J 59 88 123 | 16 15 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(O)c2ccc(-c3cc(C(F)(F)F)nn3C)cc2sc1=O
ir: 7 4 4 4 9 7 7 4 2 3 3 2 4 7 12 7 4 7 16 9 5 9 11 11 3 19 44 75 18 8 8 16 5 5 5 1 5 6 4 1 1 4 10 42 48 19 7 6 3 1 5 2 3 4 10 4 3 2 1 2 2 3 3 9 11 7 8 10 8 3 2 2 5 12 8 2 4 10 37 7 5 5 2 3 7 15 4 6 4 12 14 20 34 24 14 18 18 19 100 17 5 3 2 3 27 25 6 3 5 4 4 7 15 13 7 3 3 3 1 3 4 3 2 3 11 41 0 2 15 1 2 7 3 2 2 5 7 3 1 2 2 2 2 3 15 7 3 4 61 11 33 24 11 9 22 6 38 3 8 13 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 1 0 1 2 2 1 1 3 3 1 2 2 2 0 1 2 3 1 2 4 4 6 5 8 14 27 24 21 13 42 62 13 5 3 2 3 1 1 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 80 79 d 1H J 78 | 76 76 d 1H J 21 | 74 74 dd 1H J 22 79 | 66 66 q 1H J 17 | 39 39 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.
CCc1cnc(N(CCc2ccc(OC)c(C)c2)Cc2ccc(OC(F)(F)F)cc2)nc1
ir: 1 2 2 3 4 2 1 3 1 1 3 2 9 2 4 2 1 2 3 5 2 1 6 7 4 2 2 2 2 2 2 1 2 3 3 7 18 65 15 16 5 6 1 3 1 3 2 2 2 1 3 6 4 11 11 12 8 15 6 1 4 2 1 8 1 2 2 1 2 7 2 4 6 1 1 0 0 0 1 0 0 0 1 1 2 2 13 2 2 1 1 1 1 1 7 24 4 7 19 30 35 35 11 2 4 2 5 2 4 2 3 1 1 1 1 1 2 2 2 3 2 1 2 4 10 10 7 3 19 6 5 2 2 5 5 5 6 13 15 6 1 1 4 6 8 16 24 4 17 5 5 2 28 8 2 1 1 1 1 58 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 2 1 1 1 1 1 1 6 6 1 4 100 10 4 2 3 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 t 2H J 9 | 73 72 dt 2H J 9 85 | 72 71 m 2H | 70 69 m 2H | 68 67 d 1H J 80 | 47 47 t 2H J 8 | 39 38 m 5H | 31 30 qt 2H J 9 80 | 30 29 tt 2H J 8 75 | 22 22 s 3H | 15 14 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)N1CCCC1CCCC1OCCO1
ir: 3 3 10 5 8 22 14 10 7 7 20 8 5 5 3 2 3 5 5 7 4 5 3 2 2 2 2 2 2 4 6 11 11 7 4 1 3 6 6 0 100 9 2 3 4 3 3 2 2 2 2 2 3 2 2 4 3 10 4 6 7 6 5 4 4 3 3 6 8 6 5 7 3 3 3 7 24 9 4 6 4 2 2 2 2 2 3 2 2 7 2 3 2 3 3 2 2 3 5 3 2 2 3 4 4 4 3 5 13 16 8 5 5 21 12 4 3 4 7 4 6 7 3 3 6 3 3 2 2 3 3 3 6 10 6 11 4 2 1 2 2 2 5 7 5 5 4 3 3 1 59 12 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 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 3 4 4 3 4 3 3 3 2 4 6 31 19 7 38 17 9 5 3 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 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 73 m 5H | 51 51 s 2H | 49 48 t 1H J 34 | 40 39 m 2H | 38 37 m 3H | 36 35 ddd 1H J 32 51 120 | 35 34 ddd 1H J 32 50 120 | 21 20 ddt 1H J 50 68 119 | 19 17 m 4H | 17 16 m 2H | 16 16 m 1H | 15 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C1CCC(=O)CC1)N(C)C
ir: 5 7 3 3 4 3 3 4 2 2 4 30 4 8 4 2 5 7 1 2 2 1 1 2 1 1 2 7 12 5 2 3 2 1 1 2 2 2 2 6 6 2 1 3 2 1 1 2 1 2 2 2 2 3 7 2 4 10 7 4 1 1 3 3 6 4 5 43 16 5 2 3 2 1 3 3 3 8 4 2 2 2 5 3 1 2 5 38 25 8 4 4 8 6 5 10 4 31 23 7 4 3 2 6 7 7 4 3 4 6 8 11 18 5 3 4 12 14 14 13 9 6 22 42 11 20 23 5 3 3 7 5 6 11 3 2 2 4 4 2 2 8 18 23 38 8 1 3 2 4 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 4 3 2 3 4 5 6 10 5 5 3 4 8 4 9 100 3 4 4 2 0 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 26 25 ddd 1H J 13 47 86 | 25 24 m 2H | 24 23 m 2H | 23 22 d 6H J 15 | 19 18 m 3H | 17 15 m 3H | 14 13 m 1H | 9 8 td 3H J 15 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCCCCCCOCCCCc1cccc(Br)c1
ir: 1 1 3 4 3 3 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 4 7 12 4 3 1 1 2 1 2 4 5 4 3 3 3 5 13 59 9 10 5 0 2 3 2 0 1 2 4 1 2 2 2 2 3 4 6 13 9 13 10 7 4 5 2 2 1 3 3 2 1 2 1 2 14 14 4 2 1 1 1 2 2 2 3 2 4 5 8 6 2 1 2 2 4 20 3 7 30 13 14 14 6 5 0 5 4 6 5 19 6 3 5 5 16 7 2 3 2 1 1 2 1 2 2 1 2 4 5 20 9 2 1 1 2 2 2 1 1 1 1 10 12 13 19 3 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 12 10 6 4 7 3 4 3 2 6 18 25 11 22 100 56 13 4 3 2 4 6 6 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 ddd 1H J 13 22 81 | 73 73 tt 1H J 10 20 | 72 72 t 1H J 79 | 72 71 dq 1H J 11 76 | 35 34 m 6H | 26 26 tt 2H J 9 79 | 19 18 tt 2H J 47 76 | 17 16 m 4H | 16 14 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC[C@](C)(C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(O)no1)C(=O)O
ir: 15 7 6 6 4 4 2 3 5 3 10 11 5 6 20 23 11 8 3 3 4 16 28 17 8 7 2 3 4 3 9 4 9 5 6 4 4 4 5 4 4 17 13 6 13 31 14 15 2 3 3 2 2 3 2 2 7 11 3 3 1 2 2 1 2 1 2 10 10 3 12 5 4 4 9 11 6 31 28 20 17 28 28 5 3 4 3 3 5 6 3 3 12 3 2 2 2 2 4 3 1 1 1 2 1 1 1 2 2 1 1 1 2 2 2 3 6 14 8 1 0 6 4 5 6 6 4 5 2 3 2 3 2 3 6 3 3 3 15 1 2 10 10 11 46 18 11 26 23 6 12 4 5 4 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 3 3 3 4 12 7 8 27 30 19 26 15 2 2 4 4 64 95 100 10 2 1 0 1 1 1 1 1 2 3 4 24 26 5 4 4 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1; 1HNMR: 76 75 m 5H | 75 73 m 5H | 72 71 dp 2H J 9 79 | 63 62 s 1H | 42 41 dp 1H J 66 101 | 39 38 d 1H J 112 | 36 36 d 1H J 114 | 33 32 s 3H | 30 29 ddt 1H J 9 65 138 | 28 27 ddt 1H J 8 65 140 | 21 21 dd 1H J 66 141 | 19 18 dd 1H J 64 141 | 12 12 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNN(C)C1(CN2CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C=CC=CC1C
ir: 0 4 4 11 2 4 5 5 5 10 9 5 10 2 4 7 54 6 4 4 3 4 12 28 3 3 5 17 10 11 3 5 7 6 15 16 30 14 10 20 27 6 9 2 9 6 6 2 3 5 6 9 11 39 44 5 5 4 10 2 2 13 2 3 2 7 15 41 17 14 8 3 7 7 4 1 15 19 3 5 12 75 13 5 3 4 55 12 49 8 5 11 19 13 6 5 17 10 14 20 24 8 4 5 7 12 5 14 19 32 31 28 41 22 8 10 6 6 11 7 5 19 14 11 11 8 3 3 6 4 4 5 13 21 39 78 16 35 18 18 22 4 3 9 3 1 3 10 40 4 2 4 7 2 13 7 2 0 1 2 7 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 1 0 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 3 4 2 1 6 5 4 5 4 5 6 6 13 18 30 18 42 71 10 5 5 3 5 2 3 4 2 2 3 3 7 6 8 5 4 4 26 100 35 14 5 4 4 4 4 3 4 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 73 72 d 1H J 81 | 71 71 dt 1H J 9 20 | 70 69 ddt 1H J 8 20 79 | 62 61 m 1H | 60 59 m 2H | 57 57 ddq 1H J 10 20 93 | 32 31 t 1H J 46 | 29 27 m 5H | 27 26 m 1H | 26 25 m 4H | 25 25 s 2H | 22 21 m 1H | 19 18 m 3H | 17 15 m 4H | 9 9 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)N1CCCC(Nc2nc3ccccc3[nH]2)CC1
ir: 4 2 4 3 12 5 4 3 4 5 10 15 8 5 5 3 9 6 5 8 10 19 36 12 5 6 7 6 8 7 4 1 4 9 5 5 3 4 4 1 7 3 32 27 7 7 3 3 1 2 2 1 3 5 1 2 3 6 3 1 1 1 3 1 2 1 1 1 2 4 2 2 3 3 3 3 1 2 2 2 1 1 1 1 2 3 1 2 2 2 1 1 1 1 1 1 3 1 2 2 1 2 1 1 2 4 22 11 14 7 8 10 5 3 3 3 2 2 4 8 10 9 9 5 4 7 4 2 3 3 4 5 5 4 2 4 9 7 4 2 2 1 4 7 5 2 2 2 3 16 70 33 10 33 5 11 3 1 1 2 2 2 3 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 3 3 2 1 1 3 3 6 5 5 10 9 12 5 2 0 1 2 1 0 1 1 1 0 1 1 1 2 2 2 1 0 3 3 10 25 40 100 18 15 6 4 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1; 1HNMR: 76 75 s 1H | 75 73 m 2H | 72 71 m 2H | 63 63 d 1H J 84 | 41 40 q 2H J 65 | 38 37 m 1H | 35 34 m 1H | 34 33 m 1H | 34 33 m 1H | 33 32 m 1H | 21 20 m 1H | 20 17 m 3H | 17 16 m 2H | 12 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccc(-c3ccc(Br)s3)cc2CN1CCN1CCOCC1
ir: 2 7 4 5 2 2 6 3 3 4 3 1 1 2 6 8 8 5 8 3 4 3 3 10 5 11 8 11 52 7 4 2 3 4 6 2 3 7 3 5 29 10 4 4 8 7 5 9 19 6 4 5 4 3 4 5 12 5 5 1 3 4 8 3 11 5 2 1 5 22 8 1 4 10 8 3 2 2 2 3 64 36 62 5 17 17 5 4 8 3 1 3 8 12 8 4 9 11 11 8 12 19 11 4 2 2 1 2 3 2 1 2 3 3 6 5 6 5 4 12 20 14 10 7 8 4 8 9 5 4 2 15 28 5 10 11 7 26 22 12 8 4 2 2 2 1 1 1 2 1 3 2 20 7 100 6 4 1 2 3 2 4 3 4 2 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 2 3 3 4 4 4 4 5 5 20 20 22 28 36 8 3 0 2 3 2 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 80 79 d 1H J 81 | 78 77 dd 1H J 22 81 | 77 76 dt 1H J 9 20 | 71 71 d 1H J 69 | 70 70 d 1H J 69 | 43 43 d 2H J 7 | 37 37 m 4H | 36 36 t 2H J 59 | 29 29 t 2H J 59 | 26 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(O)OC(=O)C(c2ccccc2)=C1CO
ir: 4 10 8 18 70 44 13 14 79 7 7 8 10 5 2 6 4 1 1 1 4 18 2 2 2 1 2 2 2 2 4 2 4 3 2 5 24 5 1 2 1 16 4 6 17 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 2 2 5 2 2 0 7 2 2 2 8 1 2 4 9 5 14 65 11 10 2 2 1 2 2 1 2 3 10 21 10 61 18 6 2 2 1 2 2 4 19 6 12 33 16 2 2 2 1 1 2 2 10 3 1 1 1 3 1 5 3 4 5 3 0 1 2 6 4 2 1 1 5 1 2 11 2 1 2 6 31 8 4 8 4 14 3 1 0 1 2 11 1 1 1 6 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 2 2 1 3 2 1 0 1 2 1 0 1 1 2 1 1 8 8 5 23 58 30 6 6 4 6 48 100 12 64 3 2 1 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 75 74 m 6H | 63 63 s 1H | 44 44 dd 1H J 53 132 | 43 43 dd 1H J 53 132 | 36 36 t 1H J 52 | 16 15 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2c3c(nn2-c2ccccc2)CCNCC3)cc1
ir: 2 2 1 2 4 2 2 2 3 3 4 5 18 10 9 3 3 3 4 2 1 2 4 8 33 6 4 5 6 15 3 6 5 9 21 27 11 7 18 3 22 41 8 33 7 3 9 7 4 3 10 7 6 6 23 38 11 7 4 2 2 4 7 19 4 7 7 11 24 17 7 3 3 3 2 8 4 6 4 1 2 2 2 1 3 2 2 3 9 6 2 2 5 4 3 3 2 2 2 4 2 2 1 3 8 3 2 2 3 5 4 3 10 19 37 22 29 45 39 18 13 8 8 9 30 14 10 3 15 61 29 6 2 8 10 8 64 8 4 5 6 1 42 9 9 50 5 0 18 20 13 6 23 3 3 1 2 2 1 1 1 6 1 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 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 3 4 3 3 3 3 5 4 5 6 5 14 15 5 28 100 38 34 7 7 6 4 3 2 5 4 5 3 3 4 6 20 23 10 10 59 25 11 3 4 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; 1HNMR: 76 76 m 2H | 76 75 m 4H | 74 74 m 1H | 73 73 dt 2H J 9 78 | 48 47 m 1H | 31 30 m 6H | 28 28 t 2H J 53 | 24 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCCN(c2cc[nH]c(=S)c2C#N)C1
ir: 0 2 3 1 0 3 4 2 1 3 4 2 0 2 3 1 0 2 3 1 1 2 3 1 1 4 10 17 13 7 3 2 20 14 4 2 2 3 3 2 3 6 19 33 15 5 3 4 8 5 3 1 3 4 2 1 2 3 2 0 2 3 1 2 3 5 2 0 2 3 1 0 2 3 1 1 2 3 1 2 4 4 7 7 3 3 1 1 3 2 1 1 2 2 2 1 2 2 2 2 4 2 1 1 4 8 3 3 3 2 0 2 3 2 0 3 3 2 1 2 3 2 0 2 3 1 1 3 2 1 1 2 4 2 4 7 6 14 15 3 4 6 7 4 9 28 9 3 3 1 1 2 2 1 1 2 4 6 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 6 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 0 2 3 2 2 8 4 2 2 4 6 5 3 2 3 2 1 7 100 5 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 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2; 1HNMR: 79 78 dd 1H J 57 66 | 64 64 d 1H J 66 | 36 36 dd 1H J 48 108 | 35 33 m 3H | 19 18 m 1H | 18 17 m 1H | 17 16 m 2H | 14 13 m 1H | 10 9 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.