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Cc1cccc(C(=O)CCCCl)c1
ir: 3 2 2 4 4 3 20 18 6 3 1 2 1 2 2 1 1 1 1 1 2 2 2 6 4 2 2 3 3 5 6 14 12 9 9 5 6 6 2 3 5 5 2 5 10 29 36 4 3 6 3 0 1 4 2 0 2 3 3 3 2 3 2 1 4 3 2 2 4 8 3 6 11 7 2 1 2 2 1 1 4 8 2 1 2 2 1 1 2 2 3 4 15 10 2 2 3 3 2 8 10 2 2 2 3 3 3 23 10 7 5 3 2 20 60 18 6 7 11 11 3 8 3 6 9 11 34 5 3 3 1 2 3 3 5 8 5 3 4 5 12 0 34 59 33 7 2 3 2 1 1 3 2 5 2 7 5 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 2 2 2 3 5 8 5 12 5 5 3 4 5 8 5 21 27 5 53 100 40 5 5 2 2 3 2 1 2 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 78 ddd 1H J 14 21 75 | 77 77 m 1H | 73 73 t 1H J 76 | 73 72 dddd 1H J 8 15 21 78 | 37 37 t 2H J 36 | 31 30 t 2H J 72 | 24 23 d 3H J 8 | 22 21 tt 2H J 36 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)CNCc1ccccc1
ir: 7 4 3 3 3 1 2 2 4 3 4 1 1 1 2 1 3 1 1 3 4 7 4 6 2 1 2 2 2 3 12 5 3 3 2 2 3 11 14 27 6 9 8 0 10 20 10 17 4 8 5 12 17 5 1 4 2 12 9 24 14 22 13 8 4 1 8 13 8 13 4 5 4 1 1 3 1 3 3 1 1 1 1 1 1 1 1 1 1 21 3 1 4 1 3 4 2 15 7 2 2 1 1 2 1 2 1 3 7 9 12 14 34 36 12 4 6 5 0 4 20 6 5 4 1 2 8 8 32 21 10 9 6 5 10 32 9 10 11 6 6 7 3 10 7 1 25 14 4 3 2 2 2 1 1 0 0 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 2 1 3 2 3 3 3 6 5 13 11 26 18 8 2 2 2 2 2 2 1 1 1 1 1 2 1 3 3 4 28 100 38 11 7 2 2 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 6H | 39 39 d 2H J 58 | 36 35 m 2H | 35 35 qd 1H J 48 59 | 29 29 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2ccc(F)c(C#CCF)c2)N=C1N
ir: 5 5 4 3 3 4 3 7 6 4 3 9 7 7 3 4 4 9 20 9 10 10 10 6 22 10 9 14 23 29 20 28 9 22 17 12 12 7 7 8 7 8 7 6 6 7 11 5 8 7 6 13 11 25 27 34 6 10 6 5 51 13 7 7 8 5 4 3 7 16 13 5 3 9 19 36 16 7 10 3 3 3 4 5 3 6 7 3 4 3 3 2 2 2 3 1 3 4 1 2 11 2 2 2 2 4 2 8 6 2 2 2 3 3 16 7 7 5 5 5 5 4 3 3 5 5 3 4 6 10 6 12 4 4 3 4 11 4 2 22 42 25 47 11 7 6 7 9 34 74 11 39 13 23 19 7 3 1 1 3 3 0 3 2 3 1 2 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 1 1 2 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 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 2 1 2 1 2 2 2 2 2 1 1 2 2 3 3 3 4 7 4 26 81 24 7 6 6 3 3 4 4 3 3 3 3 3 5 4 8 5 11 71 19 5 3 4 5 13 4 6 5 16 100 24 6 5 4 3 2 3 2 2 2 3 2 2 2 3 2 1 2 2 2 1 2 3 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 76 dd 1H J 21 30 | 75 74 ddd 1H J 21 33 75 | 74 73 m 2H | 73 72 dd 1H J 76 102 | 72 71 m 2H | 66 66 s 0H | 64 63 s 2H | 51 51 s 1H | 50 50 s 1H | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)n1
ir: 2 3 2 4 3 5 4 3 1 2 2 8 14 6 4 3 6 9 2 3 4 3 2 2 7 6 4 8 12 100 13 10 5 4 6 8 20 7 4 9 4 3 9 18 10 11 32 8 4 4 2 0 1 3 2 2 1 3 2 1 2 5 3 3 10 4 2 2 3 7 4 2 3 3 2 2 2 6 5 6 5 5 4 2 4 5 2 1 2 2 2 13 6 3 5 4 2 2 1 1 2 3 2 2 2 3 2 3 3 2 1 2 3 5 9 8 8 4 5 3 3 2 3 2 2 3 3 3 4 3 1 3 7 2 1 3 6 7 12 5 6 20 18 67 18 3 1 3 3 64 3 3 4 1 18 17 6 4 2 14 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 3 2 3 4 4 7 22 4 4 9 3 2 1 1 1 1 1 1 2 2 2 1 2 2 2 3 4 10 16 27 14 8 12 5 4 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 81 81 s 1H | 81 81 d 1H J 82 | 76 76 d 1H J 79 | 74 73 t 1H J 75 | 71 71 dd 1H J 13 75 | 70 69 dt 1H J 9 75 | 41 40 ddt 1H J 55 77 112 | 24 24 d 3H J 7 | 12 12 d 6H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C1CCN(c2ccc3ccccc3c2)CC1
ir: 6 2 3 2 1 1 2 4 9 10 16 25 10 11 9 5 0 9 8 24 53 83 73 63 47 8 15 7 6 1 3 6 7 2 4 5 2 1 1 3 3 2 20 20 3 2 4 1 1 1 1 1 1 16 20 13 7 5 1 3 6 4 5 3 5 21 5 6 8 9 4 3 3 10 8 5 23 18 40 50 24 15 3 13 12 12 12 4 4 9 5 1 2 3 3 10 20 28 9 12 10 5 2 11 10 23 4 7 5 3 5 6 3 6 4 3 1 3 12 12 6 7 5 4 6 5 5 2 4 5 4 3 4 3 3 4 4 2 2 3 2 7 11 24 20 5 16 1 3 2 1 1 2 44 4 2 14 23 12 4 1 0 1 0 0 0 0 0 3 1 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 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 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 2 3 2 3 2 2 5 6 3 6 5 29 13 37 85 66 10 6 4 1 0 3 8 100 100 16 7 2 1 1 1 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 78 77 m 1H | 74 73 ddd 1H J 15 70 85 | 73 73 ddd 1H J 12 69 80 | 71 70 m 2H | 36 36 ddd 2H J 59 87 126 | 34 33 ddd 2H J 59 87 126 | 26 25 p 1H J 57 | 23 22 ddt 2H J 58 86 125 | 20 19 ddt 2H J 58 86 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC1(COC)Oc2ccc(C#N)cc2C2OC21
ir: 20 7 0 9 15 8 0 10 18 10 3 9 14 5 4 18 15 12 4 13 13 5 11 19 14 5 3 10 11 3 13 15 10 4 9 24 13 9 6 12 29 8 6 13 9 5 22 15 9 2 8 17 14 9 25 100 9 23 19 17 22 1 20 19 22 4 13 51 35 15 13 11 5 4 9 14 7 5 16 20 6 4 10 10 5 7 10 11 4 6 12 12 6 9 19 10 3 5 12 11 3 8 20 10 9 7 13 9 2 6 13 7 0 6 13 7 3 9 15 9 3 10 14 6 7 10 13 5 2 8 11 5 4 9 11 4 3 9 13 12 11 13 11 5 11 49 14 4 6 42 13 3 5 18 10 19 8 11 8 2 6 11 7 2 6 12 7 1 6 12 7 0 7 12 6 1 7 12 6 2 7 12 15 2 7 10 5 2 8 10 4 3 8 10 4 3 9 9 4 4 9 9 3 4 10 9 3 4 10 8 3 5 10 8 2 5 11 7 2 6 11 7 2 6 11 7 1 6 12 6 1 7 11 6 2 7 11 6 2 7 11 5 2 8 10 5 3 8 10 4 3 8 9 4 4 9 9 4 4 9 9 3 4 10 8 3 5 10 8 4 6 10 8 3 6 12 8 3 7 11 8 5 9 15 21 34 20 70 33 9 9 13 7 2 8 12 6 3 8 11 5 3 8 10 5 3 8 9 4 4 9 9 4 4 9 9 4 4 9 8 3 5 9 8 3 5 10 8 3 5 10 7 3 6 10 7 2 6 11 7 2 6 11 6 2 7 11 6 2 7 10 6 3 7 10 5 3 8 9 5 3 8 9 5 4 8 9 4 4 8 9 4 4 9 8 4 5 9 8 4 5 9 8 3 5 9 7 3 6 10 7 3 6 10 7 3 6 10 6 2; 1HNMR: 77 76 m 1H | 76 75 dd 1H J 21 78 | 70 70 d 1H J 78 | 42 42 d 1H J 42 | 39 39 m 4H | 37 36 d 2H J 119 | 33 33 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Br)cc(CO)c1Cl
ir: 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 2 2 2 4 3 2 2 2 2 2 2 14 14 9 6 12 4 4 3 2 2 2 2 2 2 2 3 2 3 5 2 9 29 36 9 4 5 3 3 6 4 3 3 2 2 2 3 2 1 4 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 5 4 5 2 2 3 3 3 2 2 2 1 2 2 2 4 3 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 3 3 2 2 3 14 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 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 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 3 2 2 2 2 2 1 2 3 2 2 2 3 2 1 2 3 2 1 3 3 6 9 10 5 5 6 4 8 100 37 15 0 6 8 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 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 73 72 dt 1H J 9 20 | 70 70 d 1H J 20 | 47 46 dd 2H J 8 59 | 39 39 s 3H | 34 33 t 1H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)n1cc(C(=O)O)c(=O)c2cc(C=CCOCCO)ccc21
ir: 4 6 2 2 2 2 4 3 4 2 8 9 6 16 13 6 2 2 1 4 12 65 58 14 10 5 4 1 3 2 2 1 1 1 2 2 2 1 2 2 1 1 1 1 2 2 2 11 36 14 9 3 6 11 22 5 2 3 2 6 2 1 1 1 2 3 4 2 5 5 4 12 11 5 5 12 39 39 4 2 2 5 7 2 5 13 27 13 4 4 6 25 5 2 1 2 0 2 26 3 1 1 1 1 2 2 2 2 2 1 2 1 2 1 2 2 1 3 4 7 4 3 5 5 78 5 5 5 3 2 5 2 2 4 1 1 1 1 1 1 2 9 1 2 1 1 3 2 3 3 14 5 8 32 2 4 10 2 2 2 5 0 13 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 4 1 3 3 7 5 15 8 11 9 7 5 3 4 6 100 31 57 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H | 83 83 d 1H J 21 | 77 76 m 1H | 74 73 d 1H J 83 | 67 66 dq 1H J 11 150 | 62 61 dt 1H J 44 152 | 42 42 dd 2H J 13 44 | 38 37 dt 2H J 41 65 | 36 36 t 2H J 41 | 29 28 t 1H J 64 | 28 28 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCn1cc(C(=O)OC)c(C)c([N+](=O)[O-])c1=O
ir: 10 14 10 10 8 10 18 8 8 14 19 15 11 7 3 5 8 3 16 6 6 4 2 7 8 4 20 52 6 3 2 8 21 6 3 9 7 2 4 6 6 4 3 7 6 3 6 11 14 4 33 56 14 7 4 10 5 0 5 8 5 2 7 7 5 3 8 6 18 7 7 6 4 1 5 6 6 4 7 7 3 2 5 5 2 2 5 5 2 11 7 5 1 3 7 5 2 3 7 5 3 7 25 9 5 9 23 20 16 13 13 8 1 10 22 31 10 20 17 25 17 8 9 13 10 9 9 7 6 11 15 6 6 15 10 3 4 5 7 5 8 23 9 7 6 10 22 30 100 32 10 5 9 6 10 14 30 17 9 0 4 10 6 0 5 40 8 2 4 6 3 0 3 7 3 0 4 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 6 4 1 3 6 3 1 3 6 3 0 3 6 3 1 4 6 3 1 4 5 3 1 4 5 2 1 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 3 5 4 2 3 5 4 3 6 7 6 5 7 11 8 5 4 7 5 3 8 20 25 15 6 5 6 11 35 19 4 2 4 5 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 90 89 d 1H J 9 | 39 39 td 2H J 9 64 | 38 38 s 2H | 25 25 s 2H | 17 16 p 2H J 66 | 14 12 m 6H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(Cn2c(CC3CCNCC3)nc3ccccc32)cc1
ir: 2 4 8 4 3 6 7 4 5 4 9 7 3 4 2 3 3 4 4 13 6 5 4 3 11 9 4 6 2 9 4 7 6 2 3 3 2 3 20 5 5 19 27 10 5 6 9 10 11 13 18 43 44 5 23 45 6 11 3 8 2 2 14 2 8 20 17 4 5 18 8 8 3 5 4 4 2 2 1 1 2 1 3 1 3 5 3 2 1 1 1 2 2 2 2 2 8 5 3 1 11 5 4 3 10 5 5 11 11 14 19 27 24 12 19 20 22 12 45 13 10 8 4 13 15 7 6 18 11 19 23 5 12 5 4 8 17 58 4 4 4 1 3 3 4 13 18 16 28 21 11 4 6 1 0 3 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 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 2 1 2 3 7 4 3 6 4 2 2 3 3 4 4 13 17 48 97 45 17 12 6 5 4 2 4 2 2 2 1 1 2 4 5 5 5 23 100 16 7 2 4 1 1 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 dd 1H J 15 67 | 75 75 dd 1H J 14 75 | 74 73 td 1H J 13 72 | 72 72 m 3H | 71 70 m 2H | 54 54 t 2H J 8 | 51 51 p 1H J 39 | 28 27 dddd 2H J 24 38 51 134 | 27 26 dddd 2H J 25 39 51 135 | 26 26 s 1H | 26 26 s 1H | 21 20 m 1H | 18 17 dddd 2H J 24 51 62 136 | 15 14 dddd 2H J 25 50 62 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cnc3[nH]cc(C(=O)NC4CCCOC4)c3n2)cc(OC)c1OC
ir: 0 0 0 0 2 1 1 0 0 0 1 1 1 1 1 1 0 1 1 0 0 0 0 0 1 0 0 2 12 7 2 2 3 5 2 0 0 1 0 1 5 1 0 1 1 20 10 0 0 1 1 0 0 1 2 1 1 0 0 0 0 0 0 1 1 1 1 3 6 3 1 1 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 3 1 1 3 11 0 0 0 0 2 0 0 0 1 1 1 0 2 2 3 1 1 0 0 1 1 3 1 1 1 1 1 1 1 0 0 1 0 1 3 1 3 0 0 0 0 1 9 1 3 1 0 2 24 3 6 1 1 1 1 100 2 3 1 1 5 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 2 3 2 2 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 2 2 2 11 4 2 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 s 1H | 82 81 d 1H J 82 | 77 77 d 1H J 84 | 74 73 s 2H | 40 39 m 1H | 39 38 d 8H J 112 | 38 37 dd 1H J 37 115 | 36 35 m 4H | 20 19 m 1H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(=N)N(CCCCCCO)C(=O)OC(C)(C)C
ir: 3 5 6 3 3 3 4 3 4 8 6 6 5 5 2 1 2 1 0 1 2 0 1 2 4 4 1 3 10 4 2 1 4 0 1 2 3 3 7 2 5 9 7 12 26 10 18 13 3 8 5 2 4 4 3 2 5 4 2 5 3 3 5 4 2 1 2 1 2 2 2 1 1 8 3 1 2 1 1 1 5 9 36 4 5 8 26 17 8 15 9 7 3 2 4 2 3 4 2 2 1 1 2 2 2 1 3 3 9 12 13 8 12 7 3 3 3 8 9 12 71 31 6 2 0 2 3 4 2 2 6 7 3 19 13 3 3 7 7 11 3 7 6 5 2 3 3 4 5 7 10 100 22 88 26 14 3 4 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 1 1 1 1 0 1 1 0 1 1 1 1 3 3 4 3 3 2 1 2 3 4 3 2 3 8 23 7 2 2 2 1 2 4 4 7 14 63 33 37 74 40 7 3 2 1 3 3 1 1 1 1 1 3 6 22 4 2 2 3 2 2 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 92 92 s 1H | 54 54 s 1H | 37 37 t 2H J 61 | 36 35 q 2H J 58 | 28 27 t 1H J 59 | 17 15 m 4H | 15 15 s 7H | 15 13 m 4H | 14 14 s 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nc2[nH]c(=O)n(Cc3ccc(Cl)cc3)c(=O)c2n1C
ir: 2 4 9 6 6 5 14 7 8 15 12 13 8 16 21 23 8 24 6 2 26 9 9 3 2 3 4 5 3 4 5 4 4 8 10 21 8 4 7 6 19 11 15 3 5 7 6 12 5 6 4 2 4 17 49 49 20 5 9 3 5 5 4 1 5 10 4 2 6 5 12 4 4 8 14 2 8 5 2 3 3 3 3 4 3 4 8 2 3 3 6 7 10 28 28 4 8 6 4 6 8 8 14 6 2 3 1 4 3 2 5 5 19 16 8 20 15 11 13 22 9 24 18 61 15 11 8 13 6 4 6 7 7 14 5 4 5 2 2 3 2 3 2 3 4 9 100 25 49 1 2 9 17 76 9 4 2 1 1 2 2 0 2 3 2 0 2 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 3 2 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 3 1 3 5 5 4 6 11 9 11 5 4 7 9 3 7 7 23 31 23 23 59 31 26 13 12 5 5 2 2 3 3 2 1 3 2 2 1 2 2 2 1 3 5 13 30 33 4 2 2 4 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 74 73 m 5H | 52 52 d 2H J 8 | 38 38 s 3H | 28 27 q 2H J 68 | 13 13 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(F)c(N2CCNCC2)c1
ir: 2 2 3 2 1 1 1 2 1 1 1 1 1 1 1 2 1 6 2 1 1 1 1 1 1 1 1 1 2 1 3 1 1 1 1 1 1 2 1 1 1 2 1 1 5 3 1 1 1 3 2 0 23 72 57 12 8 0 2 3 1 0 2 7 12 2 2 5 5 4 2 1 12 1 2 2 1 1 2 2 1 1 2 2 2 6 5 3 1 2 4 3 3 1 3 4 2 1 4 8 2 2 3 2 1 1 4 3 0 27 40 2 3 4 4 18 10 5 4 2 1 2 2 2 2 2 2 2 2 28 2 2 2 2 2 2 1 1 1 2 2 1 2 15 1 2 1 1 2 11 3 2 3 12 2 1 2 2 1 1 1 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 2 2 4 3 3 12 100 11 3 2 2 2 1 2 2 1 1 1 2 1 2 4 12 5 2 36 46 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 ddd 1H J 46 91 102 | 68 67 m 1H | 66 66 ddd 1H J 22 32 121 | 33 33 m 4H | 29 29 m 4H | 19 18 p 1H J 33
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=CN(C)C)C(=O)c1cccc(C(F)(F)F)c1
ir: 8 8 5 4 7 3 0 4 7 5 1 4 5 3 2 4 5 2 1 4 5 2 1 4 5 2 2 5 5 1 3 6 10 3 5 7 9 6 27 30 23 10 11 16 10 6 5 36 13 7 3 6 3 0 2 5 3 3 9 6 3 1 4 6 4 6 6 9 6 4 6 9 3 6 5 6 2 2 4 5 3 1 5 4 2 2 5 7 2 4 14 10 3 4 10 6 0 2 27 100 17 6 4 3 5 15 15 8 3 4 14 20 28 12 7 4 2 4 9 6 10 16 13 14 14 8 16 12 5 5 5 3 2 4 5 10 4 5 4 2 3 8 15 7 13 5 4 2 2 4 3 1 2 5 3 2 2 4 3 1 5 8 6 5 2 4 3 1 2 4 3 0 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 1 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 2 1 3 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 4 3 1 2 4 3 2 3 4 3 1 2 4 3 2 3 4 4 2 5 7 8 9 23 48 27 1 4 8 3 1 4 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 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 2 1 3 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 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 82 81 t 1H J 22 | 79 79 ddd 1H J 11 21 75 | 78 77 ddd 1H J 12 22 107 | 76 76 tq 1H J 12 25 | 76 75 dd 1H J 76 107 | 31 31 d 5H J 10 | 26 26 qd 2H J 15 78 | 11 11 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(=O)O)cc(C2CCCCC2)n1
ir: 1 1 1 1 1 1 1 2 2 2 2 2 3 3 1 3 16 8 2 7 15 39 46 4 4 2 2 2 2 2 1 1 1 1 2 6 3 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 4 5 2 2 4 32 29 6 3 2 3 2 1 1 2 15 48 9 1 1 1 1 2 9 2 2 1 1 1 1 1 1 0 1 1 1 0 1 3 2 2 2 2 2 1 2 2 4 4 5 3 4 8 8 8 10 7 2 2 1 1 2 3 5 10 12 3 5 9 2 2 1 2 2 3 1 1 3 2 0 1 13 51 17 8 1 0 2 1 0 1 1 1 1 1 1 1 1 1 5 25 2 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 2 2 1 2 4 6 3 5 10 11 3 2 2 1 1 1 0 100 80 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 d 1H J 23 | 71 71 d 1H J 22 | 40 39 s 2H | 31 30 m 1H | 21 20 m 2H | 17 14 m 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)NCCCl
ir: 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 1 1 1 9 2 1 1 0 1 1 1 0 0 2 3 2 1 5 19 42 27 9 3 3 2 0 1 3 3 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 0 0 0 0 2 2 2 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 1 2 3 1 1 1 1 2 0 1 1 2 3 1 3 2 1 1 1 1 4 2 4 2 2 4 4 1 1 1 0 0 0 0 0 0 0 1 0 1 3 2 1 1 3 3 2 3 32 100 12 2 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 0 1 0 1 0 0 2 4 1 0 0 0 0 0 0 0 0 0 2 3 1 1 1 0 0 1 1 1 1 1 1 3 9 18 15 30 21 4 2 1 1 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 62 61 t 1H J 49 | 54 53 t 1H J 39 | 37 36 t 2H J 21 | 36 35 dt 2H J 21 49 | 32 31 qd 2H J 39 61 | 12 11 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1CNCCN2CCOCCOCCN(CCN1)CCOCCOCC2
ir: 1 1 1 2 2 1 2 3 4 1 8 5 5 4 14 9 4 11 3 2 2 1 1 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 2 2 4 5 7 13 16 11 2 8 6 7 7 54 42 27 12 16 10 38 39 73 51 8 14 22 19 26 59 7 12 6 21 2 16 13 2 2 1 2 5 4 16 27 29 20 11 3 3 1 1 1 2 3 5 2 4 9 7 8 19 16 5 6 100 76 50 11 10 12 8 9 5 5 7 7 9 5 7 2 0 3 5 4 2 3 2 2 1 4 7 27 6 6 7 14 10 4 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 0 1 1 1 2 3 3 1 1 2 1 1 1 3 8 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 2 2 5 88 27 31 18 12 2 1 1 1 1 1 0 1 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0; 1HNMR: 37 37 s 6H | 36 36 t 9H J 59 | 34 34 tt 2H J 41 49 | 28 27 m 8H | 27 26 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCC1CCN(CC(F)(F)F)CC1
ir: 2 3 3 3 2 3 3 2 2 1 2 1 6 8 3 1 0 2 6 1 1 2 2 1 1 2 4 1 1 1 2 1 0 1 2 6 8 3 3 2 2 2 1 0 1 2 1 0 1 3 2 1 1 3 2 2 1 2 2 2 2 3 2 2 3 5 3 4 5 4 1 1 2 4 5 2 5 3 3 1 16 18 6 4 5 17 23 29 27 51 57 12 17 6 2 4 5 4 6 7 3 4 7 2 4 8 17 11 9 7 3 2 3 2 1 2 2 3 3 3 2 1 1 2 2 2 5 2 2 1 1 2 2 2 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 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 4 3 5 6 7 2 5 3 7 2 5 7 3 3 4 3 3 3 3 12 12 36 100 26 6 4 5 3 3 2 2 3 2 2 1 4 3 2 2 3 3 3 4 3 3 2 2 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1; 1HNMR: 35 35 dd 2H J 48 57 | 33 33 d 1H J 128 | 33 32 d 1H J 128 | 30 29 ddd 2H J 51 79 119 | 29 29 ddd 2H J 52 79 120 | 25 24 t 1H J 57 | 19 18 m 2H | 18 17 m 1H | 17 16 ddt 2H J 55 79 123
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(N2CCN(C)C(C)C2)cc1
ir: 3 8 14 4 5 11 12 14 9 12 12 9 5 9 6 3 10 17 0 8 30 2 3 2 1 1 2 8 5 6 7 3 2 8 4 6 5 2 2 2 1 1 1 1 1 1 1 2 3 2 3 3 2 11 17 9 42 20 9 32 3 7 8 9 10 9 5 3 8 20 17 23 15 6 14 3 13 14 3 3 4 5 21 33 8 36 16 33 7 10 27 2 4 5 5 4 5 7 16 35 11 19 32 2 5 1 2 1 1 2 6 6 13 16 14 24 24 100 21 9 19 12 8 6 5 8 4 7 9 6 6 2 2 3 3 5 2 1 1 1 2 8 18 12 23 15 5 3 4 20 27 16 26 25 12 3 3 1 1 0 1 1 2 14 10 1 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 2 1 2 2 1 2 2 1 2 3 3 5 2 4 7 11 24 19 61 49 26 31 5 4 1 1 1 2 1 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2H | 68 67 m 2H | 44 44 q 2H J 64 | 37 36 dd 1H J 45 109 | 34 34 dd 1H J 44 108 | 33 32 m 2H | 31 30 ddd 1H J 37 60 112 | 30 29 m 2H | 23 23 d 3H J 14 | 14 14 t 3H J 64 | 12 11 d 3H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CC1CC1Cc1ccc(-n2ccnc2)cc1
ir: 1 1 1 1 2 2 1 3 2 4 9 3 4 3 3 3 2 2 4 3 2 3 2 2 1 1 1 3 15 9 10 2 3 2 9 3 3 16 8 8 3 13 23 15 14 5 3 2 5 12 10 5 5 28 20 13 10 1 2 0 4 22 5 3 5 0 2 5 6 20 6 4 2 3 2 1 1 2 1 1 3 6 15 18 16 15 5 6 8 15 6 3 2 6 5 20 11 8 9 8 4 3 8 4 18 10 2 2 1 2 5 5 21 11 3 7 9 10 10 10 12 15 7 7 22 10 12 7 2 2 3 2 3 7 9 6 4 3 2 3 2 2 7 4 10 4 3 11 9 12 11 10 6 6 2 1 2 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 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 0 1 1 2 2 4 4 5 4 4 7 6 5 4 4 6 16 19 27 31 36 73 45 100 56 57 11 7 4 5 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 t 1H J 16 | 81 81 dd 1H J 17 38 | 78 77 dd 1H J 17 37 | 73 73 m 2H | 72 71 dt 2H J 8 81 | 28 28 ddt 1H J 9 62 130 | 26 25 m 6H | 24 23 dd 1H J 39 110 | 15 13 m 2H | 11 10 m 7H | 9 8 dt 1H J 67 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1ccccc1N
ir: 1 6 11 8 7 4 4 4 7 5 5 3 3 7 5 5 5 6 4 2 1 3 4 1 1 3 5 9 1 7 7 9 13 6 7 3 5 7 6 3 7 15 9 25 8 5 4 3 3 2 3 2 2 4 2 2 2 2 2 1 2 2 2 1 1 3 2 1 2 5 6 7 3 3 2 2 13 9 3 1 2 2 1 1 2 2 4 7 5 2 1 1 2 2 2 2 3 2 1 1 2 2 1 1 3 4 2 2 2 1 0 1 2 1 1 2 3 2 2 6 5 2 1 2 2 1 1 1 2 1 1 2 2 1 0 2 3 4 8 5 4 2 1 3 4 16 12 33 6 7 19 21 30 8 7 9 15 12 7 4 2 1 2 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 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 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 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 3 2 5 9 13 11 5 4 4 3 2 2 1 2 2 1 1 1 1 2 2 2 7 4 7 4 6 10 12 7 7 4 6 2 31 100 11 7 4 0 1 3 2 0 1 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 91 91 s 1H | 75 74 dd 1H J 14 80 | 73 72 m 1H | 70 70 m 1H | 69 68 dd 1H J 14 80 | 42 42 s 2H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NC[C@H]1CNc2cccc(Br)c2O1
ir: 73 42 10 18 24 23 7 6 5 7 4 8 6 5 2 15 8 4 8 3 6 3 4 4 2 5 3 3 10 9 10 4 5 2 2 3 5 8 10 4 2 4 5 1 4 38 95 31 13 1 9 4 2 2 3 3 2 1 1 3 2 11 30 5 6 2 3 12 7 5 10 6 7 10 11 13 8 4 5 10 7 4 2 2 1 1 2 2 1 2 3 25 4 4 6 4 8 5 4 6 7 10 20 16 9 3 12 28 21 5 5 4 1 1 3 2 0 2 6 5 12 5 4 3 2 4 2 2 2 4 6 7 21 34 22 10 8 10 7 5 5 21 48 62 5 3 3 0 4 4 2 1 1 3 2 6 17 3 3 15 9 2 2 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 2 1 3 7 29 42 9 3 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 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 2 4 3 2 2 5 4 5 1 3 2 3 3 6 4 3 5 4 7 4 5 50 26 12 7 5 1 2 3 2 2 2 2 2 2 1 2 1 1 1 3 8 7 9 35 48 100 71 18 10 7 2 4 4 3 5 4 3 1 2 3 2 1 2 3 1 1 1 2 1 1 1 2 1 1 2 2 1 0 2 2 1 0 1 2 2 2 2 3 2 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 72 71 dd 1H J 13 79 | 69 68 t 1H J 80 | 68 68 dd 1H J 13 80 | 63 63 t 1H J 45 | 46 45 tdd 1H J 11 38 47 | 37 36 m 2H | 35 34 m 1H | 34 33 dd 1H J 48 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
ir: 5 8 19 8 3 7 5 2 1 2 7 6 12 6 2 2 1 2 3 2 2 6 3 2 2 1 1 1 4 14 17 8 15 11 4 1 6 14 12 66 16 40 13 24 5 2 4 5 3 3 7 15 3 1 1 1 0 1 1 8 11 21 8 4 7 3 4 6 17 27 2 3 2 2 2 2 2 7 9 7 3 1 0 2 5 17 5 4 2 2 17 23 21 1 2 2 0 1 2 2 1 1 2 2 7 3 10 18 38 8 6 6 6 23 16 9 2 14 23 15 11 7 10 6 15 6 5 5 2 3 1 2 8 7 7 14 10 2 1 1 1 1 14 27 10 17 6 2 2 2 1 5 8 3 2 0 0 1 0 1 3 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 1 1 0 1 1 1 1 1 1 0 1 1 1 1 2 4 4 13 13 8 6 6 5 7 9 6 26 38 76 45 100 33 11 9 3 3 4 4 32 9 2 1 0 0 1 0 0 1 1 2 19 27 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; 1HNMR: 89 88 s 1H | 76 76 m 2H | 75 75 m 2H | 74 74 ddt 2H J 14 71 89 | 73 72 m 4H | 33 32 t 2H J 69 | 24 24 t 2H J 87 | 21 20 p 2H J 67 | 17 16 tt 2H J 65 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CCCCCC(C(O)=S)c1ccccc1)c1ccco1
ir: 5 12 10 13 21 19 14 7 15 14 13 6 5 7 7 10 1 20 22 100 33 20 9 8 11 6 4 12 6 9 13 14 15 17 12 49 33 19 13 23 19 23 24 5 10 7 4 4 5 3 5 11 8 4 3 3 4 4 5 5 3 3 5 9 7 5 13 16 56 55 49 26 21 25 32 23 12 6 7 9 9 5 19 8 5 4 3 4 3 7 12 13 20 24 16 9 15 14 9 4 10 5 4 6 4 23 26 28 33 50 23 33 23 14 12 15 9 8 17 31 18 44 14 15 10 19 24 6 6 5 9 5 4 5 21 25 12 5 5 8 10 12 17 29 19 20 25 8 13 25 5 4 12 7 15 3 3 3 3 5 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 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 3 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 3 2 2 2 3 3 3 2 2 3 2 3 3 3 2 3 3 3 4 6 8 19 15 8 4 5 10 10 8 6 5 18 25 19 61 27 20 18 39 7 6 4 0 41 7 4 4 3 3 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; 1HNMR: 78 77 t 1H J 17 | 74 73 dd 1H J 17 50 | 73 73 s 5H | 66 66 dd 1H J 16 49 | 61 61 s 1H | 36 35 dd 1H J 64 73 | 30 29 t 2H J 97 | 21 20 dtd 1H J 70 88 139 | 19 18 dtd 1H J 69 88 139 | 17 13 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCNc1nc(N)nc(C)c1Cc1ccc(Br)cc1OC
ir: 1 1 3 3 3 1 2 6 5 5 3 3 7 2 9 7 4 5 6 2 3 2 1 2 2 1 5 3 2 2 2 2 2 1 1 2 5 7 10 15 10 9 9 2 2 2 7 5 3 1 2 2 2 4 3 5 1 0 1 1 1 1 1 0 1 1 1 6 2 3 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 1 1 1 0 0 0 1 0 0 3 2 1 1 0 0 0 0 0 1 1 1 1 2 3 1 1 2 1 1 2 1 3 3 2 2 3 4 7 2 2 1 1 2 3 1 0 2 1 2 2 3 1 1 3 3 8 9 7 15 26 20 13 4 4 3 2 16 10 8 100 19 2 3 1 0 2 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 0 1 1 1 0 1 2 3 2 5 5 6 2 1 1 1 1 0 1 0 1 1 1 1 2 2 3 8 12 19 7 1 3 5 16 10 6 2 2 3 12 27 2 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 72 dd 1H J 21 81 | 71 71 dt 1H J 9 82 | 71 70 d 1H J 21 | 67 66 t 1H J 49 | 56 56 s 2H | 40 39 d 2H J 7 | 38 38 s 2H | 35 34 td 2H J 49 59 | 25 24 s 2H | 17 16 tt 2H J 60 69 | 14 13 m 4H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)nc2c1C(=O)CO2
ir: 2 1 1 1 2 1 1 2 10 4 3 3 2 1 5 3 3 1 1 2 4 2 6 5 3 1 1 2 2 1 1 2 2 4 5 2 1 2 3 14 82 5 2 3 2 0 1 2 2 0 1 2 1 2 3 3 3 1 2 2 5 9 3 6 12 2 9 4 15 9 9 34 6 2 3 3 1 11 13 2 1 1 2 2 1 1 2 3 2 1 2 2 1 1 2 2 5 2 2 1 2 2 2 1 0 1 2 1 0 7 22 2 4 4 4 2 1 2 15 5 2 1 2 2 2 4 3 3 7 3 2 1 1 4 2 1 1 2 2 1 1 2 10 4 1 2 2 0 1 30 33 23 3 2 2 2 2 2 2 100 19 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 1 2 2 2 1 1 4 3 2 2 2 2 2 4 5 26 19 8 8 5 3 4 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1; 1HNMR: 67 66 s 1H | 52 52 s 2H | 39 39 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CN2C(=O)c3ccccc3C(C)(C)C2=O)cc1
ir: 1 1 2 3 1 3 2 2 2 2 4 4 3 4 10 4 1 4 2 1 1 2 3 1 1 1 1 1 2 5 5 4 1 2 2 15 3 3 2 3 2 6 36 8 3 4 2 6 3 26 7 6 3 5 2 3 9 2 3 6 2 3 1 9 5 4 1 5 2 6 3 1 1 1 3 1 1 1 1 1 1 1 3 1 3 1 2 5 6 3 1 2 3 3 2 2 2 2 6 7 4 1 1 1 1 1 7 1 0 1 1 1 1 2 7 16 4 1 2 4 2 3 5 13 8 22 18 5 1 2 3 2 2 2 7 2 1 2 23 7 2 1 1 0 0 3 11 14 46 50 3 3 6 1 20 8 4 38 3 2 6 3 2 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 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 1 1 2 1 1 1 1 3 1 1 1 1 2 3 3 6 11 10 11 100 25 9 4 3 2 1 2 1 1 1 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 75 dd 1H J 9 75 | 75 74 ddd 1H J 33 49 80 | 73 72 dt 2H J 9 85 | 68 68 m 2H | 52 51 d 2H J 9 | 38 38 s 3H | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(OC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(Cl)sc2[nH]1)C(=O)OC(C)(C)C
ir: 5 5 16 2 2 3 4 8 4 11 2 13 22 35 19 7 13 13 10 10 11 2 2 3 4 2 2 1 2 1 3 6 16 4 5 10 5 20 25 100 23 14 59 18 4 11 21 5 4 2 1 1 2 5 3 2 1 1 2 2 2 3 7 4 3 4 3 1 4 4 4 4 5 8 24 21 10 9 4 8 7 3 3 2 6 4 2 5 8 6 5 2 1 3 2 4 4 2 9 35 15 7 2 2 12 11 12 9 11 8 12 8 3 3 6 6 7 3 9 3 8 10 14 5 5 7 49 19 12 14 11 18 6 7 4 2 1 17 1 2 13 17 51 34 99 40 19 14 7 80 52 3 3 2 3 25 3 1 4 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 0 0 1 1 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 2 3 3 5 3 4 2 2 3 2 2 3 4 10 8 19 22 25 13 35 35 26 19 8 2 5 2 0 1 1 1 0 2 2 3 4 4 2 3 2 2 8 36 47 70 41 14 37 18 2 2 1 1 1 1 1 0 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 95 94 s 1H | 74 73 d 1H J 22 | 72 72 m 3H | 72 71 m 3H | 43 43 q 1H J 57 | 42 42 ddd 1H J 18 51 121 | 41 40 ddtd 1H J 17 36 73 84 | 40 39 ddd 1H J 18 52 123 | 34 33 m 1H | 31 30 dd 1H J 37 148 | 28 28 ddd 1H J 18 55 149 | 14 14 s 8H | 14 14 d 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc(Cl)cc1Cl)N1CCC(O)(c2ccccc2)CC1
ir: 4 4 1 7 5 6 6 4 4 4 6 6 4 6 9 6 4 12 7 4 2 4 8 4 2 2 2 6 1 6 6 10 11 5 4 4 15 8 23 31 37 81 18 9 7 4 4 3 1 6 7 10 13 25 12 6 7 7 5 6 2 6 3 2 2 3 3 9 8 8 9 6 3 3 2 2 7 5 3 2 14 32 26 20 16 6 4 2 3 2 2 3 13 26 6 3 4 4 6 2 3 4 6 3 2 2 1 1 2 2 6 5 5 8 4 7 19 14 16 6 6 6 6 5 3 8 4 4 5 6 14 4 4 5 9 18 13 3 4 9 20 4 7 11 15 40 27 38 16 7 10 22 100 21 5 4 1 1 1 4 4 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 1 1 2 4 5 9 5 5 3 2 3 5 4 3 8 12 33 54 39 24 9 2 7 7 9 80 9 5 3 2 2 1 1 1 4 4 4 5 7 7 7 20 26 18 9 8 3 3 1 2 2 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 3H | 74 74 dt 1H J 9 82 | 74 73 m 2H | 73 73 dd 1H J 21 81 | 71 70 tt 1H J 15 66 | 64 63 t 1H J 60 | 46 46 dd 2H J 7 60 | 38 38 ddd 2H J 40 68 132 | 35 34 ddd 2H J 40 68 132 | 33 32 s 1H | 24 23 ddd 2H J 40 68 137 | 21 20 ddd 2H J 40 68 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCO
ir: 2 1 2 3 2 2 1 1 1 2 1 2 3 1 1 2 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 2 2 2 1 4 3 4 3 2 1 2 1 0 1 1 1 1 1 1 2 1 3 2 1 1 2 2 2 1 3 3 4 4 3 3 2 1 3 3 1 2 2 1 1 1 2 2 2 5 6 12 12 25 57 62 28 13 10 9 13 8 3 4 3 1 0 0 3 1 1 1 3 8 11 10 4 5 4 2 3 2 1 6 6 9 4 2 4 1 2 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 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 3 2 6 2 4 4 5 6 5 3 2 2 2 6 14 17 10 2 3 3 1 4 5 3 8 100 67 29 6 3 6 2 3 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 3 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 36 35 q 2H J 58 | 27 27 t 1H J 59 | 16 15 tt 2H J 58 79 | 14 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.
COc1cccc(NC(C(=O)c2c[nH]c3c(C)cccc23)c2ccc(OC)nc2)c1
ir: 10 9 9 18 16 15 8 10 16 10 22 24 15 12 45 16 16 12 19 15 12 17 19 15 14 40 36 14 13 14 9 21 26 10 16 29 38 24 17 13 9 9 10 9 14 19 21 87 20 11 17 26 26 34 24 24 8 7 9 11 8 7 7 12 9 13 12 34 25 19 30 13 9 8 8 8 8 9 8 9 7 6 12 9 7 8 12 8 8 8 9 10 13 9 9 9 13 10 11 14 15 11 15 15 7 8 9 7 6 24 23 13 9 12 14 15 17 12 19 17 20 10 7 10 11 24 11 14 8 8 9 10 10 17 11 11 17 77 26 25 27 48 79 100 29 17 10 8 11 43 13 10 27 40 12 14 24 34 12 14 63 14 91 0 6 14 8 2 6 10 6 3 6 9 6 3 6 9 6 4 7 8 6 4 7 8 6 5 7 8 6 5 7 7 5 5 7 7 5 5 7 7 5 5 7 7 5 6 7 7 5 6 7 7 5 6 7 6 5 6 7 6 5 6 8 6 5 6 8 6 5 6 8 6 5 6 7 6 5 6 7 6 5 7 9 6 5 7 7 6 5 7 7 6 6 7 7 6 6 7 7 6 6 7 7 5 6 7 7 6 7 8 7 5 6 8 7 5 7 9 8 5 10 14 16 25 34 93 87 29 34 16 10 9 9 9 8 11 7 9 8 7 7 8 8 6 9 11 11 23 30 76 57 80 90 20 12 9 13 10 13 8 8 7 6 6 8 8 7 7 8 7 6 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 5 6 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 7 7 6 6 6 7 6 5 6 7 6 5 6 7 6 5; 1HNMR: 100 100 s 0H | 84 84 d 1H J 19 | 82 81 m 2H | 76 75 dd 1H J 19 80 | 73 72 t 1H J 75 | 72 71 t 1H J 81 | 71 71 ddq 1H J 8 15 75 | 68 68 d 1H J 80 | 66 66 ddd 1H J 12 22 82 | 64 64 ddd 1H J 12 21 79 | 64 64 s 2H | 63 62 t 1H J 22 | 39 39 s 3H | 38 38 s 3H | 26 26 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C1(O)CCCCC1
ir: 15 9 6 2 6 4 1 2 3 3 1 6 8 2 6 5 3 3 3 3 3 1 3 7 5 4 3 2 3 1 2 6 6 7 2 2 2 1 1 2 2 1 1 2 4 4 4 8 3 0 2 5 9 8 6 8 2 3 3 4 3 0 4 7 8 10 5 9 7 7 8 17 35 40 59 30 24 32 67 33 48 14 35 26 15 15 11 12 18 13 14 12 23 44 27 45 14 13 7 5 3 4 3 4 2 3 7 12 30 28 22 13 14 7 10 7 17 12 12 22 29 13 36 31 10 7 12 8 5 5 5 2 3 5 5 5 3 5 3 2 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 4 5 8 5 8 8 13 29 9 9 6 11 16 13 11 29 33 15 10 3 1 5 6 5 8 34 100 45 8 6 3 2 3 2 4 3 5 2 4 3 2 3 3 3 2 3 3 3 3 2 2 1 1 2 1 1 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 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: 24 24 s 1H | 18 16 m 5H | 16 14 m 6H | 9 8 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1CCCCC(C=O)C1=O
ir: 7 2 2 2 1 2 2 4 0 1 1 1 1 1 4 5 1 1 8 7 7 6 3 1 0 4 8 4 3 1 1 1 1 27 17 1 1 2 2 0 1 1 1 0 1 2 2 3 2 1 2 4 2 4 3 2 1 1 1 0 1 1 1 2 1 1 1 1 2 2 2 1 2 4 3 2 2 4 5 0 1 1 0 0 1 1 0 0 1 1 1 1 2 3 3 2 2 3 2 2 4 9 12 3 5 41 9 34 11 9 4 2 3 5 7 3 3 8 6 10 16 21 7 9 7 6 2 3 4 2 1 2 3 1 2 2 3 0 2 3 3 3 20 100 11 11 11 4 5 5 13 37 7 4 1 2 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 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 2 2 1 1 2 4 4 5 2 2 4 6 4 6 12 22 6 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 97 97 dt 1H J 9 88 | 41 41 q 2H J 66 | 31 30 m 2H | 28 27 dd 1H J 81 164 | 25 24 dd 1H J 81 165 | 20 18 m 2H | 18 13 m 6H | 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.
O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CN2CCOCC2)cc1
ir: 4 4 5 5 0 2 2 1 1 1 1 1 0 1 2 2 1 3 3 2 3 2 1 12 7 3 15 4 3 1 2 2 3 9 4 2 2 3 5 14 20 10 6 4 1 1 3 2 2 1 1 11 2 3 16 1 5 11 4 2 1 2 1 1 2 2 2 4 9 6 3 2 2 6 1 2 1 2 1 1 2 7 5 4 1 1 1 0 2 1 2 3 5 2 2 1 1 2 12 5 7 2 0 1 4 4 3 4 21 1 1 1 3 3 4 2 2 1 5 2 2 2 2 3 5 6 3 2 1 0 1 1 2 4 1 1 1 0 0 1 9 2 5 24 7 19 3 1 1 1 8 7 9 24 2 2 1 0 1 1 1 0 3 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 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 2 2 1 0 1 1 1 2 5 3 12 23 10 4 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 24 19 100 5 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 92 92 d 1H J 70 | 79 78 m 3H | 75 74 m 3H | 73 72 m 2H | 71 70 dq 1H J 8 71 | 38 37 q 2H J 52 | 37 37 m 4H | 36 36 t 2H J 9 | 34 34 td 2H J 8 53 | 25 25 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N1CCC(Oc2ccc(N)cc2)CC1
ir: 21 15 21 5 15 8 12 8 4 3 4 5 2 2 2 2 2 2 2 1 1 1 2 2 2 3 1 2 2 2 2 2 2 2 2 2 1 3 2 2 2 1 3 4 2 3 2 1 2 3 2 2 6 5 12 52 8 7 3 1 2 2 1 2 2 1 2 1 2 4 1 2 2 2 1 5 6 7 3 6 2 1 4 9 3 2 1 2 5 9 2 4 4 1 2 1 1 2 2 8 6 2 1 1 1 3 14 3 3 2 1 1 1 2 3 1 2 1 1 2 2 2 1 2 1 1 3 3 3 2 3 3 3 3 4 2 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 4 16 9 5 16 39 2 4 3 1 0 2 18 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 1 1 3 3 2 2 1 2 2 1 3 4 7 12 13 15 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 9 10 2 1 1 1 1 1 1 1 3 3 100 11 9 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 68 67 m 2H | 66 65 m 2H | 43 43 p 1H J 48 | 37 37 s 2H | 29 29 dd 1H J 47 74 | 29 28 m 2H | 26 25 ddd 2H J 51 79 119 | 22 21 ddt 2H J 49 79 128 | 19 18 ddt 2H J 49 79 128 | 11 11 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1ncc(Br)cn1Cc1cccs1
ir: 13 6 4 8 11 12 4 8 19 6 1 7 9 5 7 23 18 13 5 7 8 3 6 6 6 3 5 13 7 3 3 7 7 3 7 10 11 4 11 26 74 10 52 100 55 38 56 49 16 13 9 11 10 3 7 9 7 3 9 12 5 1 5 8 6 3 6 9 6 8 6 8 4 1 7 9 11 8 10 13 20 25 7 7 4 4 9 13 15 9 10 15 3 5 9 6 4 5 8 7 4 10 12 6 7 8 41 9 2 5 8 6 1 6 20 11 6 7 9 11 14 32 26 11 4 9 13 27 35 17 50 27 3 9 12 11 13 46 42 15 3 7 7 3 6 14 62 77 6 14 18 43 38 49 19 8 8 9 7 17 40 10 5 1 4 8 5 1 4 8 4 0 4 8 4 0 5 7 4 1 5 7 3 1 5 7 3 1 5 7 3 2 5 6 3 2 6 6 2 2 6 6 2 3 6 6 3 3 6 5 2 3 7 5 1 3 7 5 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 5 7 3 1 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 3 6 6 2 3 6 5 2 3 6 5 2 3 7 5 3 5 7 5 2 4 7 5 1 6 10 10 7 9 13 37 66 87 79 25 11 8 10 4 2 5 7 3 2 5 6 3 3 6 7 3 2 6 6 3 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 6 4 1 4 7 4 1 4 7 4 1 4 7 4 2 4 6 4 2 4 6 3 2 5 6 3 2 5 6 3 2 5 6 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 88 87 d 1H J 13 | 83 83 q 1H J 10 | 73 73 dd 1H J 18 53 | 71 70 ddt 1H J 9 18 65 | 69 68 dd 1H J 53 66 | 52 51 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C(CCOc1ccc(Cl)cc1)N=C(c1ccccc1)c1ccccc1
ir: 1 5 2 4 5 2 6 8 4 13 2 6 6 8 21 4 3 3 3 8 6 2 5 9 2 4 2 4 10 18 12 7 8 51 15 3 3 2 7 13 17 24 32 2 3 3 2 1 1 2 4 0 5 9 58 9 10 2 2 4 2 3 5 2 2 5 6 4 21 24 5 3 2 5 2 2 7 22 14 14 4 4 1 4 11 4 3 2 2 1 1 0 1 2 2 3 6 2 3 2 2 1 1 3 13 5 30 14 9 2 3 1 3 2 3 4 10 9 25 11 11 5 8 23 13 27 7 6 13 5 8 15 7 4 4 82 2 5 3 10 100 61 9 30 82 27 44 11 14 4 1 1 3 2 1 0 1 1 1 1 7 2 1 0 1 1 0 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 1 1 0 1 1 1 1 0 2 2 2 2 5 3 1 2 4 2 3 5 6 8 12 38 18 68 71 68 33 9 9 4 2 3 2 4 3 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 m 2H | 75 74 m 5H | 74 73 m 3H | 74 73 m 1H | 73 73 m 2H | 69 69 m 2H | 44 43 dt 1H J 65 115 | 43 42 dt 1H J 64 117 | 40 39 t 1H J 78 | 26 25 ddt 1H J 65 79 132 | 23 22 ddt 1H J 64 77 130 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncccc1-c1cnn2ccc(CCCN(C)C(=O)OC(C)C)nc12
ir: 4 2 6 5 4 3 5 8 40 17 7 12 16 4 2 3 6 20 6 5 2 4 3 3 5 2 3 1 1 2 8 12 13 4 2 5 10 3 4 100 29 3 7 9 5 5 2 2 2 2 2 4 8 24 11 4 3 0 1 2 2 2 3 15 5 1 4 3 3 1 2 3 1 1 4 4 2 5 4 3 3 2 4 7 6 19 89 2 3 7 7 4 2 2 4 2 3 8 18 5 5 16 4 3 2 2 3 3 1 8 7 9 1 2 3 3 3 6 7 10 2 5 19 9 10 9 11 13 9 9 9 9 29 22 4 3 3 3 7 3 6 37 32 9 2 6 16 24 5 5 78 10 6 15 15 6 7 2 14 7 1 5 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 4 2 2 2 4 3 3 4 2 3 4 3 8 11 11 3 7 16 17 12 13 10 10 2 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0; 1HNMR: 86 86 d 1H J 70 | 82 81 dd 1H J 22 42 | 81 80 s 1H | 80 79 dd 1H J 20 77 | 73 72 dd 1H J 42 77 | 67 66 dt 1H J 9 70 | 51 50 hept 1H J 60 | 41 40 s 2H | 33 32 t 2H J 57 | 30 29 s 2H | 29 29 td 2H J 9 79 | 20 19 tt 2H J 58 80 | 13 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N1CCCc1ccc(-c2ccccc2)cc1
ir: 7 12 14 12 34 18 4 15 12 6 3 3 10 3 2 6 11 7 3 4 2 3 4 2 4 3 5 3 7 4 6 7 2 3 5 2 5 3 9 6 4 29 8 5 2 1 2 1 2 2 4 1 2 6 3 5 9 5 2 1 1 1 1 2 3 1 2 1 4 4 3 6 2 1 2 2 2 4 7 13 3 5 3 3 5 16 5 30 65 29 23 17 2 3 4 3 2 1 2 2 1 2 2 2 2 1 1 1 0 1 1 2 0 1 2 1 1 1 2 1 2 3 5 3 5 2 3 1 1 2 2 1 1 2 2 7 2 1 1 2 4 7 15 15 6 8 5 8 8 2 1 1 2 1 1 0 0 1 1 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 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 1 2 2 2 1 2 2 1 9 12 13 3 2 3 2 2 33 100 81 14 1 1 1 1 1 0 1 1 1 1 6 6 5 2 9 11 5 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 75 tt 4H J 14 85 | 75 74 m 2H | 74 73 m 1H | 72 72 dt 2H J 9 82 | 66 65 q 1H J 49 | 50 50 d 1H J 56 | 49 48 dd 2H J 61 75 | 42 41 dddd 1H J 41 53 60 93 | 39 37 m 5H | 37 36 dt 1H J 58 106 | 31 30 m 1H | 29 29 dt 1H J 71 123 | 28 27 dt 1H J 72 123 | 28 27 d 3H J 49 | 27 26 tt 2H J 10 82 | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc2cc(Cl)ccc2o1
ir: 1 1 2 11 7 2 4 41 7 2 1 1 1 1 1 1 1 1 1 7 18 1 9 1 2 1 1 1 1 14 1 1 1 1 2 1 1 1 1 1 1 1 1 15 1 1 1 5 1 1 1 1 2 23 35 0 1 1 6 8 2 4 1 1 1 1 2 7 12 7 2 1 1 1 1 1 1 1 1 1 1 1 2 5 3 1 1 2 2 2 4 1 1 1 2 2 1 29 2 2 7 4 1 1 1 1 1 1 1 1 2 2 2 7 9 5 3 6 4 1 1 2 2 13 2 2 2 1 0 1 3 0 23 3 0 2 2 1 1 1 1 1 28 4 1 1 1 1 1 2 4 2 4 2 2 2 1 1 1 2 2 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 2 4 28 11 17 100 30 10 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 74 74 dd 1H J 23 87 | 27 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Nc1c(C/C=C(\C)CCC(=O)O)c(OC)c(C)c2c1C(=O)OC2
ir: 9 13 4 5 7 2 7 10 1 4 4 12 9 9 8 5 5 10 12 19 39 100 52 48 33 23 21 8 22 13 20 11 9 3 8 6 5 2 4 5 19 4 8 5 4 2 4 6 6 2 2 6 2 1 2 1 2 0 1 4 14 2 2 3 4 9 6 10 7 3 5 5 4 1 3 4 6 18 38 32 7 11 3 2 2 1 2 6 1 1 2 4 25 12 6 5 7 7 6 3 4 2 3 13 4 1 2 2 1 2 5 9 13 9 4 2 2 6 14 6 7 17 14 15 9 2 2 2 4 2 3 3 3 7 5 7 2 3 3 6 4 8 22 24 52 15 16 13 21 55 4 3 1 1 1 5 4 23 15 4 3 1 1 1 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 1 2 2 2 1 4 2 2 3 3 3 3 2 4 5 19 10 7 2 2 1 1 1 1 2 3 5 14 42 5 3 1 0 1 1 1 1 2 1 4 2 4 17 41 6 3 2 0 1 1 1 1 1 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0; 1HNMR: 92 92 s 1H | 54 53 m 1H | 54 53 s 3H | 39 39 s 3H | 34 34 ddq 2H J 9 20 70 | 30 30 s 3H | 25 25 td 2H J 6 77 | 24 23 ddq 2H J 10 76 86 | 22 22 s 3H | 18 17 q 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(CN2CCc3nccnc3CC2)cc1
ir: 3 2 2 2 2 3 1 11 10 13 15 96 42 4 0 2 2 2 3 8 3 4 5 2 3 7 1 1 2 3 6 15 40 1 1 3 6 0 2 16 9 1 13 5 2 1 5 8 3 17 5 2 1 2 13 7 4 4 2 13 5 1 1 2 2 2 8 6 12 10 2 2 1 11 11 3 14 9 4 7 9 22 2 5 17 1 14 77 28 19 1 5 3 4 5 15 11 16 21 3 3 6 15 3 2 1 1 1 3 21 16 4 2 6 12 11 6 6 5 16 12 4 5 6 3 5 2 3 6 25 3 6 6 7 35 27 4 2 4 5 6 22 23 3 3 4 35 18 3 1 1 9 4 1 2 2 4 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 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 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 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 2 5 8 5 3 3 6 2 6 6 12 41 31 22 100 10 19 10 2 1 1 4 2 3 4 2 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 83 83 s 2H | 73 72 m 6H | 36 36 d 1H J 11 | 31 30 t 4H J 69 | 29 28 t 4H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)/C(=C/c1ccc(OCc2ccccc2)cc1OCc1ccccc1)Cc1ccccc1
ir: 3 2 3 1 1 2 2 2 3 10 10 9 7 4 3 3 1 1 3 1 5 14 100 72 5 6 4 7 5 4 16 23 10 4 3 16 5 2 14 23 41 18 4 5 2 5 3 2 4 2 1 2 2 0 17 5 5 5 2 1 2 2 2 3 4 1 6 13 20 20 10 3 2 3 4 6 17 13 5 7 8 6 1 1 1 1 2 3 6 22 3 4 1 1 1 1 4 7 5 6 5 3 1 1 1 1 1 1 1 1 2 2 2 1 1 1 4 2 1 4 5 5 8 6 6 4 2 1 2 2 2 8 2 3 6 34 12 3 2 2 3 9 22 50 3 7 5 5 19 7 4 5 8 6 3 2 2 9 3 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 2 3 25 12 18 62 25 20 6 5 2 4 2 1 3 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 t 1H J 15 | 75 75 d 1H J 88 | 74 74 dt 4H J 10 71 | 74 73 dd 5H J 62 75 | 73 72 m 8H | 68 68 dd 1H J 24 90 | 66 65 d 1H J 23 | 51 50 dt 4H J 10 21 | 38 38 t 2H J 13
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](CC(C)C)NC(c1ccc(Br)cc1)c1ccc(S(C)(=O)=O)cc1
ir: 15 5 6 5 10 4 7 7 18 18 24 17 15 10 16 8 12 4 4 2 20 7 5 2 2 8 8 15 4 7 5 5 5 13 5 12 18 11 13 5 11 8 19 34 53 7 10 10 8 8 7 3 21 20 49 47 69 89 6 0 9 23 4 9 8 37 7 3 5 18 3 3 4 6 10 8 11 5 6 14 8 9 12 11 16 14 6 13 13 15 4 16 91 38 7 7 13 7 11 18 21 6 4 19 33 36 40 31 35 49 19 18 7 10 6 10 21 15 6 19 63 32 30 7 12 23 21 10 11 11 6 9 20 55 32 8 6 2 2 6 5 2 3 15 70 7 12 20 8 6 3 6 5 5 2 4 3 1 2 3 3 5 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 2 1 3 3 1 2 6 12 3 3 4 4 4 3 5 4 4 13 6 10 12 25 18 31 70 31 17 11 8 5 6 3 1 4 6 4 1 4 4 2 3 13 16 60 100 34 7 6 7 8 4 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3; 1HNMR: 78 77 m 2H | 75 74 m 4H | 73 72 m 2H | 50 50 m 1H | 37 37 s 2H | 36 35 dt 1H J 68 84 | 33 32 s 2H | 31 30 t 1H J 85 | 18 17 m 2H | 15 14 ddd 1H J 68 91 130 | 9 9 m 3H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2ccc(COc3cccc(N)c3)nc2c1
ir: 4 3 2 3 3 2 2 2 2 4 3 2 2 1 4 2 2 2 2 1 1 1 2 1 2 2 2 2 1 3 3 2 3 2 1 1 2 3 1 1 2 1 3 2 2 5 23 32 17 2 2 1 2 1 1 2 3 4 12 3 3 2 2 2 2 2 12 6 27 4 6 2 1 2 1 1 2 2 3 9 5 11 15 6 2 2 1 1 1 1 1 2 2 6 4 7 2 1 1 1 1 1 4 4 11 2 2 1 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 3 5 4 4 4 3 3 2 2 1 1 1 2 3 2 6 2 6 10 13 21 31 11 3 1 5 17 7 3 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 1 1 1 1 1 1 1 2 1 2 4 3 3 13 17 35 11 14 8 2 2 2 1 1 1 1 1 1 1 1 1 1 5 7 9 1 1 1 1 1 2 2 0 2 9 100 27 5 0 2 3 2 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 82 81 m 1H | 78 77 dd 1H J 8 88 | 77 76 dt 1H J 10 73 | 73 73 d 1H J 22 | 69 68 m 2H | 68 67 ddd 1H J 12 21 82 | 63 62 t 1H J 21 | 61 61 ddd 1H J 12 22 77 | 53 52 d 2H J 10 | 39 39 s 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(CO)nc1NCCCOc1cccc(C=O)c1
ir: 3 6 13 12 8 9 4 9 23 24 31 39 26 30 13 33 15 12 19 5 6 7 8 8 2 5 5 3 3 8 14 6 3 3 5 2 2 5 11 4 2 4 6 5 3 9 24 49 28 15 4 4 8 18 7 2 4 8 7 20 15 10 9 3 13 27 9 28 18 17 26 10 8 7 3 5 4 4 11 22 21 12 11 17 14 8 22 91 100 33 16 12 37 17 11 11 10 10 5 7 7 7 3 3 42 6 10 4 9 6 11 9 6 7 6 7 5 7 4 10 15 14 9 16 6 12 27 9 10 5 5 7 6 4 1 4 4 3 5 11 11 16 11 7 4 2 3 7 21 12 5 7 3 4 2 15 9 3 2 4 2 0 2 5 3 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 5 1 4 6 4 2 3 6 3 1 2 5 3 1 9 10 15 71 28 7 5 3 4 9 40 37 33 8 3 1 3 3 2 2 3 3 2 2 3 3 4 6 41 43 7 5 3 2 2 2 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3; 1HNMR: 100 99 s 1H | 77 76 dt 1H J 23 78 | 74 74 t 1H J 77 | 73 73 t 1H J 23 | 70 69 dt 1H J 25 77 | 60 59 t 1H J 47 | 47 47 d 2H J 51 | 41 41 t 2H J 57 | 39 38 s 2H | 36 36 td 2H J 47 60 | 35 35 t 1H J 51 | 21 21 p 2H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCCC=C1c2ccccc2OCOc2ccccc21
ir: 1 1 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 10 8 4 28 25 4 2 2 1 1 1 1 0 1 0 0 0 0 1 1 1 1 2 5 0 4 5 10 6 1 2 8 6 2 0 1 3 1 1 0 0 0 0 1 6 1 0 3 1 0 0 0 0 0 0 0 0 0 0 1 2 2 1 0 1 0 1 1 1 1 0 0 0 1 3 2 1 1 1 2 1 1 1 1 1 3 3 1 1 1 0 0 0 0 0 1 2 5 14 1 1 1 7 8 2 10 0 1 0 16 1 0 0 0 1 0 0 0 0 0 2 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 2 1 1 1 1 1 2 2 3 7 8 14 100 13 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dd 2H J 17 78 | 73 72 td 2H J 15 78 | 72 72 td 2H J 13 78 | 70 69 dd 2H J 13 79 | 64 63 tt 1H J 9 59 | 56 55 s 2H | 36 35 td 2H J 9 44 | 30 30 dt 2H J 43 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cncnc1N1CC2(CCOCC2)c2ccc(Br)cc21
ir: 2 4 4 1 3 2 3 1 1 2 3 2 1 7 2 2 2 1 2 15 5 2 2 5 6 2 6 15 2 2 2 3 21 13 8 17 17 67 23 39 16 20 7 5 5 8 7 1 1 1 1 2 6 22 14 16 2 3 2 4 16 3 2 0 6 10 9 12 13 5 1 5 8 11 5 1 2 12 17 4 2 4 5 11 9 10 23 9 11 4 1 6 3 2 3 2 19 6 10 5 6 2 2 2 2 1 1 1 0 1 12 24 85 15 4 2 8 12 5 1 2 2 1 6 9 2 3 13 2 3 3 25 2 2 6 3 6 30 9 2 2 2 13 24 7 19 8 3 2 3 16 6 24 100 12 3 35 34 7 1 1 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 1 0 1 1 2 3 2 3 2 2 2 2 3 2 4 25 13 21 14 14 13 2 1 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 18 | 85 84 d 1H J 18 | 73 72 dd 1H J 20 88 | 72 71 d 1H J 89 | 71 71 d 1H J 22 | 43 43 s 2H | 38 37 ddd 2H J 35 62 114 | 36 35 ddd 2H J 35 61 112 | 22 21 ddd 2H J 35 62 141 | 20 19 ddd 2H J 36 62 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Ic1cccc2c3c([nH]c12)CCNC3
ir: 2 1 1 1 2 2 1 1 5 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 10 30 3 2 2 3 4 3 0 8 3 1 2 4 4 2 1 2 2 27 54 4 1 8 7 1 2 34 8 4 16 17 3 2 1 2 9 5 1 1 6 5 7 3 2 1 1 2 11 1 1 1 1 21 1 2 1 1 1 1 1 1 2 4 4 1 1 4 1 2 10 7 9 3 1 5 2 1 2 6 3 22 21 6 2 2 5 100 33 13 4 2 2 1 4 4 5 2 5 13 2 2 2 5 3 2 2 3 1 1 1 1 14 5 1 1 1 5 2 2 25 3 1 1 1 2 4 10 6 3 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 2 3 2 2 2 1 1 2 2 3 4 3 8 20 8 3 2 2 3 1 2 1 1 1 1 2 1 1 1 2 2 4 4 54 5 2 2 2 8 48 22 3 2 4 2 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 s 1H | 77 77 dd 1H J 11 73 | 76 75 dd 1H J 12 74 | 72 71 t 1H J 73 | 39 39 d 2H J 44 | 32 31 td 2H J 30 38 | 28 28 m 2H | 27 27 p 1H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1c2ccccc2Sc2ccccc21
ir: 2 2 3 5 3 6 2 2 2 8 2 3 3 3 3 3 2 2 2 3 3 3 3 3 3 3 4 4 3 3 3 3 2 3 3 3 6 3 3 2 2 11 23 7 3 2 3 4 3 3 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 4 3 3 6 3 3 2 2 5 6 3 2 3 5 8 18 7 7 5 30 3 0 18 5 3 3 15 3 3 2 3 3 4 4 3 3 2 2 3 3 2 2 3 6 2 2 3 2 2 3 5 3 3 3 3 3 2 3 3 4 2 3 3 2 2 3 3 2 2 3 23 11 6 3 5 3 3 3 3 3 2 29 13 3 3 2 2 3 3 3 2 6 3 3 2 2 3 3 2 2 3 3 3 2 3 2 2 2 2 2 3 2 2 3 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 3 2 2 2 2 2 3 3 3 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 3 3 2 2 3 3 2 3 3 3 3 3 3 3 3 3 6 3 4 18 100 30 6 3 3 3 3 4 48 13 4 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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; 1HNMR: 74 74 dd 2H J 20 71 | 74 73 m 4H | 73 72 ddd 2H J 20 68 77 | 59 58 dd 1H J 8 47 | 20 20 d 1H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CC(=O)c1ccccc1)c1ccccc1
ir: 1 1 1 2 1 3 1 2 2 5 1 2 2 2 1 1 2 3 4 4 2 14 2 1 1 1 1 1 3 20 11 10 14 29 15 5 3 2 6 14 4 16 5 2 2 4 1 0 1 2 2 2 4 1 1 0 1 2 1 1 3 11 2 0 8 3 2 2 5 11 2 3 3 2 3 7 5 3 5 4 1 1 0 1 1 1 1 1 6 9 9 3 3 1 5 3 4 2 2 4 5 2 0 1 1 1 1 2 4 2 2 2 2 1 1 2 3 3 3 6 4 2 1 8 7 3 2 3 3 3 2 2 3 2 16 21 18 2 0 2 3 4 25 26 13 10 11 5 4 2 2 0 10 5 2 1 1 1 1 2 7 12 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 2 1 2 1 2 0 1 4 4 8 6 20 27 100 44 30 4 3 3 1 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 76 75 m 1H | 75 75 m 2H | 73 72 m 2H | 68 67 m 3H | 47 47 s 2H | 31 31 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cnc(-c2ccc(CCCCCO)cc2)nc1
ir: 2 2 2 2 1 2 2 2 2 2 5 2 6 4 5 12 9 2 2 1 2 2 5 7 1 2 16 4 1 2 13 3 2 17 6 9 22 66 33 21 6 3 2 2 5 1 3 3 2 2 3 5 2 1 6 18 9 55 5 5 3 2 2 2 3 3 2 2 3 4 4 8 6 8 18 6 3 2 3 1 6 7 7 12 13 30 42 46 100 76 42 12 6 6 11 10 1 1 3 2 0 3 24 3 1 2 3 3 1 3 12 4 4 5 6 9 4 7 4 6 3 2 5 5 5 9 16 24 14 2 3 2 2 1 2 2 2 2 1 2 4 2 77 13 9 4 4 2 2 17 18 19 5 15 4 2 1 2 3 12 4 1 1 3 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 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 2 4 3 5 3 3 4 3 2 3 3 11 19 16 43 26 27 7 2 2 6 5 13 17 30 14 5 1 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 83 s 2H | 80 79 m 2H | 73 72 dt 2H J 9 90 | 43 42 q 2H J 67 | 36 35 q 2H J 59 | 27 26 m 3H | 16 15 m 4H | 15 14 m 1H | 15 14 t 4H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=CC2=C(CC1)c1ccsc1CC=N2
ir: 3 2 1 10 9 13 4 2 2 2 2 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 6 6 1 1 1 2 5 25 30 26 16 13 6 9 9 10 9 15 15 28 12 16 5 7 19 18 15 4 4 1 2 2 5 7 4 2 1 2 3 3 2 9 5 8 1 1 1 2 1 1 1 1 5 8 13 4 3 8 5 9 23 12 7 9 21 13 17 3 0 3 9 2 1 1 3 3 6 8 4 2 0 1 3 2 0 7 8 4 5 5 3 4 9 15 26 14 8 5 5 19 19 5 4 23 48 13 13 20 12 2 3 7 32 17 8 3 2 2 14 14 3 5 5 41 22 6 2 2 3 5 8 13 25 3 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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 2 2 1 1 2 2 2 2 5 5 6 5 3 3 3 2 2 5 21 37 60 46 36 16 80 100 23 2 4 3 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2; 1HNMR: 75 74 t 1H J 63 | 71 71 d 1H J 62 | 68 68 m 2H | 63 62 dtt 1H J 9 44 85 | 36 35 d 2H J 62 | 34 33 ddt 2H J 10 52 72 | 27 26 tdt 2H J 8 44 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(NC(C(=O)c2c[nH]c3ccc(F)cc23)c2ccc(OC)nc2)cc(OC)c1
ir: 5 8 6 14 7 10 16 9 25 18 11 11 8 7 6 7 8 8 18 9 12 8 15 15 20 24 22 11 8 5 5 8 21 6 13 51 7 12 9 7 6 6 8 8 6 9 11 6 6 6 6 7 22 24 43 9 8 9 7 5 6 6 6 12 9 27 23 56 25 16 53 7 8 8 5 7 6 9 13 7 6 5 5 9 5 7 6 7 7 6 5 5 5 6 5 7 6 6 7 13 9 23 20 18 27 11 7 9 8 6 3 18 7 9 11 27 6 10 8 7 8 11 29 23 7 11 37 8 9 8 9 6 4 6 7 5 4 100 0 10 33 11 7 33 16 9 8 7 9 25 15 9 26 5 39 15 7 6 5 8 22 26 19 18 6 7 6 6 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 4 5 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 4 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 5 5 5 5 6 5 7 7 7 7 8 14 25 40 57 17 18 11 16 9 5 6 6 6 5 5 6 6 6 6 7 6 6 4 7 11 7 18 43 100 27 16 7 9 6 6 5 5 5 5 7 7 5 5 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 100 99 d 1H J 73 | 84 84 m 1H | 83 82 d 1H J 72 | 77 76 dd 1H J 25 121 | 76 75 ddd 1H J 7 19 79 | 75 75 dd 1H J 46 72 | 72 71 ddd 1H J 26 72 101 | 69 68 dd 2H J 83 122 | 64 63 dd 1H J 10 86 | 62 62 d 2H J 22 | 62 61 t 1H J 21 | 40 39 s 3H | 38 38 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)/C=C/C1CCCC1
ir: 3 3 3 3 3 3 3 3 3 6 7 6 4 3 3 3 3 3 4 4 5 12 11 10 11 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 4 4 4 5 6 4 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 4 4 3 4 6 3 3 3 3 3 3 3 3 4 3 4 5 4 4 3 3 3 3 3 3 3 3 3 3 3 3 4 5 8 9 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 5 6 4 5 3 3 3 3 2 3 4 3 0 100 29 6 5 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 69 68 ddt 1H J 9 70 165 | 60 59 dd 1H J 13 165 | 27 26 dpd 1H J 13 47 70 | 17 16 m 4H | 16 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2cn3c(n2)-c2ccc(C4CCN(CCO)CC4)cc2OCC3)n(C(C)C)n1
ir: 5 4 5 4 17 9 10 7 8 16 7 3 4 4 8 7 6 2 2 3 4 3 4 23 4 2 3 2 5 29 37 3 1 3 2 1 1 6 2 1 1 2 3 1 1 2 1 3 2 4 3 1 2 5 15 8 3 3 9 0 1 2 3 4 6 6 19 3 4 28 6 6 5 13 4 5 4 2 3 9 4 3 2 1 5 11 11 100 23 10 4 9 3 4 3 2 3 2 2 3 5 8 4 3 6 4 3 2 3 2 1 1 2 3 5 4 3 3 6 4 4 3 3 6 7 4 1 3 3 5 11 6 7 4 3 4 23 28 4 19 3 2 1 1 26 4 1 6 2 0 1 1 3 13 5 9 2 0 1 3 2 2 1 2 2 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 0 1 2 3 1 2 2 2 1 2 3 1 1 1 4 4 8 9 9 4 24 10 8 6 2 7 2 6 33 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 d 1H J 83 | 76 75 d 1H J 9 | 70 70 ddd 1H J 7 20 84 | 69 69 dd 1H J 7 19 | 48 47 hept 1H J 49 | 44 43 t 2H J 45 | 42 41 td 2H J 8 44 | 41 40 t 1H J 63 | 37 36 dt 2H J 57 64 | 30 29 ddd 2H J 55 82 115 | 28 27 m 1H | 27 26 t 2H J 57 | 25 25 ddd 2H J 54 82 115 | 24 24 s 2H | 21 20 ddt 2H J 53 81 126 | 18 17 ddt 2H J 54 81 126 | 16 16 d 6H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(/C=C/Br)c1ccc(C(F)(F)F)cc1
ir: 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 1 4 2 5 3 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 2 0 1 3 5 4 50 100 23 6 3 2 2 3 2 3 6 2 19 1 1 1 3 1 1 1 1 1 2 12 11 3 1 1 1 2 1 4 7 1 1 1 1 1 4 2 2 1 1 5 25 34 6 2 2 1 1 1 2 1 1 1 4 6 72 15 11 3 2 3 6 4 5 6 5 16 7 8 11 10 22 9 6 10 3 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 25 26 5 4 13 11 2 1 1 1 1 1 1 2 2 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 2 1 1 1 1 1 2 2 0 4 12 7 71 14 34 14 7 2 4 2 2 1 3 2 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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; 1HNMR: 76 75 dq 2H J 14 72 | 75 75 m 2H | 64 63 ddq 1H J 10 20 132 | 63 62 d 1H J 132 | 15 14 d 6H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1c(-c2ccc(F)cc2F)c2cc(Cl)ccc2c(=O)n1Cc1ccccc1
ir: 2 5 8 13 16 3 11 22 17 9 19 12 11 6 3 3 7 6 8 9 7 6 4 3 3 1 2 5 9 15 96 87 31 18 38 16 5 3 6 6 60 8 9 14 29 36 55 11 29 9 9 9 3 5 23 44 18 3 10 5 2 5 1 3 2 1 26 72 30 11 2 4 5 5 2 2 4 3 12 8 3 1 3 13 7 4 5 4 7 42 8 7 14 5 4 3 9 8 7 3 2 7 22 9 8 6 10 9 8 9 4 1 2 3 21 6 5 3 2 19 34 10 12 34 100 29 6 5 4 4 13 6 1 8 17 51 13 8 14 71 16 15 23 37 12 6 9 19 46 91 12 12 20 10 10 5 2 13 49 2 1 1 2 44 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 1 1 1 1 0 0 1 1 2 1 1 1 2 1 2 4 4 1 5 5 9 6 17 19 68 88 61 31 4 5 4 4 3 1 2 1 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 d 1H J 89 | 79 79 d 1H J 23 | 77 76 m 2H | 73 72 m 6H | 71 70 m 2H | 52 52 t 2H J 9 | 38 37 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cn(CC(=O)O)nn1
ir: 4 3 4 4 3 5 4 1 3 9 7 10 9 10 28 6 5 0 6 19 59 68 29 11 3 5 3 1 1 2 3 1 0 1 1 0 0 5 4 1 2 1 2 3 5 21 47 41 33 9 5 1 4 3 3 2 1 2 3 1 1 3 4 2 25 21 43 7 7 3 1 1 1 1 1 1 2 9 17 67 27 11 3 2 1 5 4 2 2 2 1 2 2 2 1 3 2 3 5 5 6 2 2 1 1 1 0 7 6 4 16 2 3 1 0 1 2 2 5 5 2 3 1 1 2 2 4 11 9 7 8 4 2 1 0 2 3 2 15 3 2 4 6 36 5 3 2 5 77 8 5 44 4 3 2 3 3 3 18 4 2 2 3 1 0 0 0 1 0 0 0 1 1 1 1 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 1 1 2 3 1 1 2 1 1 1 1 1 1 3 3 10 16 5 2 0 1 4 6 22 3 3 1 10 65 100 15 4 3 1 2 1 1 1 0 0 1 3 4 3 24 7 11 2 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 99 99 s 1H | 81 80 s 1H | 76 76 t 1H J 9 | 51 51 d 2H J 9 | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)C(C)C
ir: 7 4 3 4 3 11 7 5 6 10 8 8 6 6 3 6 9 5 2 4 6 6 2 4 7 7 4 4 6 3 1 3 3 4 2 4 2 4 3 5 17 38 40 2 3 3 3 1 3 5 4 5 3 6 3 3 2 1 2 3 2 5 4 3 4 2 6 3 3 3 6 3 3 5 13 34 9 4 4 2 5 2 4 4 2 2 1 1 3 7 21 5 2 5 2 2 2 8 2 3 3 1 1 4 3 8 12 13 10 14 15 17 26 19 9 12 6 19 30 34 12 13 16 16 6 8 11 13 13 11 12 3 1 3 7 7 100 19 1 7 17 29 26 10 6 13 12 5 6 9 12 1 7 26 34 10 2 3 2 1 1 1 1 1 3 19 32 3 1 0 1 1 1 0 0 1 0 0 1 1 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0 1 0 1 0 0 1 0 1 1 0 1 0 1 0 0 1 0 1 1 1 0 0 1 0 1 1 1 0 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 2 5 5 4 3 8 11 5 11 13 10 19 10 20 21 30 70 21 42 51 31 24 15 4 3 2 5 6 2 2 3 3 3 6 61 20 6 4 2 10 8 14 73 68 14 12 9 2 4 2 2 2 2 1 2 1 2 3 3 2 2 1 1 0 1 1 1 1 0 0 0 1 1 0 0 1 1 0 1 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; 1HNMR: 82 82 dd 1H J 14 78 | 79 79 dd 1H J 15 72 | 77 76 m 2H | 65 65 t 1H J 37 | 64 63 s 2H | 42 42 t 2H J 66 | 33 32 td 2H J 36 56 | 26 25 hept 1H J 67 | 25 25 s 3H | 21 20 tt 2H J 55 65 | 11 10 d 6H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(c1cccc(C(F)(F)F)c1)C1CCOC(c2cncc(Br)c2)C1
ir: 1 1 1 2 6 2 2 9 3 1 1 1 1 11 3 2 3 1 1 1 2 1 1 1 1 1 2 2 1 1 2 8 29 4 7 2 1 2 1 2 1 1 1 1 1 0 2 30 2 3 1 0 2 5 5 2 1 1 1 1 1 2 2 1 1 8 5 5 5 5 2 1 6 1 1 1 2 14 4 3 2 3 3 0 7 100 6 52 2 1 1 1 1 1 2 1 1 2 7 14 20 6 1 1 1 1 4 5 5 3 2 2 5 37 0 2 3 2 3 6 4 2 6 4 1 3 6 21 5 2 1 1 1 2 1 1 1 1 3 8 8 7 1 1 1 1 1 1 1 1 3 1 1 2 1 4 19 3 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8 3 4 3 2 10 37 11 5 2 1 4 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 t 1H J 17 | 85 85 m 1H | 81 81 t 1H J 22 | 78 78 m 1H | 78 78 s 1H | 78 77 ddd 1H J 12 21 104 | 76 75 dd 1H J 83 104 | 50 49 m 1H | 40 39 ddd 1H J 44 71 102 | 39 38 ddd 1H J 44 71 103 | 36 35 tt 1H J 80 90 | 29 28 m 1H | 26 25 ddd 1H J 65 89 152 | 24 23 dddd 1H J 44 70 79 143 | 21 20 dddd 1H J 44 70 79 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3F)CC2)nc1C
ir: 3 4 6 1 1 2 2 2 4 3 2 7 2 2 3 2 2 2 6 3 3 2 2 1 6 2 4 4 2 3 2 1 3 6 5 15 25 26 11 9 5 4 2 2 3 4 4 1 2 4 3 0 1 5 10 15 3 5 2 1 2 3 2 2 4 1 4 26 6 4 4 1 2 2 1 6 6 2 1 0 2 2 7 1 10 3 2 6 11 9 3 2 6 5 7 5 4 7 6 2 4 2 5 1 2 5 7 3 3 2 3 9 5 4 9 5 3 6 14 8 51 12 13 6 9 15 6 6 9 4 3 1 4 6 40 12 19 4 12 37 17 3 13 3 3 17 10 9 14 7 100 2 12 20 27 58 6 4 2 2 2 1 11 5 2 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 2 2 1 3 2 3 3 3 4 7 7 28 16 24 21 13 6 4 3 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 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 1 0 0 1 1 0 0 1; 1HNMR: 77 76 dd 1H J 49 82 | 75 74 m 2H | 70 69 t 1H J 8 | 39 39 m 2H | 37 37 m 4H | 37 36 m 7H | 30 30 s 3H | 24 24 s 3H | 23 22 s 3H | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)Cc1ccc(Cl)cn1
ir: 1 1 0 1 2 3 1 1 3 2 2 2 1 7 6 2 1 2 2 4 4 12 8 7 4 2 6 2 1 1 4 2 1 0 0 8 1 1 1 0 1 0 0 0 1 1 1 1 1 1 1 1 1 4 21 4 3 1 1 0 0 1 0 0 0 1 0 0 1 9 1 0 1 1 0 0 2 2 2 22 3 1 1 2 1 0 1 2 1 1 1 1 1 0 2 1 2 2 6 2 1 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 2 1 3 1 1 1 1 1 4 2 1 1 1 0 0 1 1 1 5 11 2 1 1 2 3 4 3 1 1 2 13 1 0 2 0 0 1 1 1 1 12 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 1 1 1 1 0 1 1 2 1 6 8 12 1 1 1 1 1 1 2 100 4 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 19 | 76 75 dd 1H J 19 81 | 74 74 dt 1H J 9 81 | 37 36 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(F)c2c1C(=O)CCO2
ir: 3 4 5 3 6 4 4 5 7 4 4 3 3 4 5 5 6 6 13 13 4 5 4 3 6 4 4 3 44 41 3 3 3 3 8 7 5 4 3 3 3 4 13 12 3 4 4 4 4 7 19 16 61 100 100 3 6 7 3 0 4 10 10 35 3 1 4 10 37 7 5 4 9 18 7 5 3 3 3 4 3 3 4 3 5 7 5 4 4 3 6 4 7 3 3 3 3 4 3 3 3 5 13 4 21 10 28 4 4 3 3 4 2 17 15 5 6 7 7 42 26 11 5 11 12 5 4 4 5 4 3 3 3 3 4 4 3 3 4 5 11 70 57 14 9 3 3 4 4 5 56 48 6 89 7 3 3 5 4 4 17 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 4 4 6 4 4 4 6 9 6 6 4 4 5 7 5 13 24 4 22 48 27 7 8 4 5 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 71 70 m 2H | 44 43 m 2H | 31 30 m 2H | 25 25 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(C2=CCC(F)(Cl)C=C2)CC(=O)O1
ir: 10 3 2 2 2 3 1 6 8 3 1 1 2 1 1 1 2 2 5 13 2 5 7 12 7 10 27 21 20 13 10 23 5 2 2 2 4 4 6 8 13 26 8 4 2 2 5 4 2 5 10 5 11 34 6 3 2 2 2 2 3 5 13 6 17 25 7 4 1 0 2 2 1 1 2 2 1 1 2 7 3 1 2 2 1 1 4 3 1 2 4 6 1 3 5 5 23 5 7 6 5 24 14 6 6 13 5 12 6 5 10 17 11 17 10 11 7 7 21 7 9 100 50 12 16 6 35 20 5 3 6 8 4 3 2 3 3 3 3 24 27 25 30 3 9 49 97 60 11 6 5 1 2 3 3 1 1 2 2 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 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 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 2 1 2 4 3 4 7 8 9 5 6 5 5 13 17 20 22 50 46 27 13 10 3 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 63 62 tq 1H J 16 58 | 62 61 m 1H | 61 60 m 1H | 33 32 m 1H | 29 28 dd 2H J 77 156 | 28 26 m 1H | 26 25 dd 2H J 77 156 | 25 24 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2c(Cl)cnc3[nH]cc(N)c23)C1
ir: 2 2 3 4 1 3 5 6 5 11 23 39 32 19 14 7 10 6 15 4 8 5 5 5 7 1 1 2 4 2 81 10 5 3 1 1 1 2 5 3 2 4 36 6 8 1 3 2 2 1 9 1 1 2 1 2 2 2 1 1 9 4 2 3 4 13 3 7 2 2 1 1 2 4 2 4 3 8 4 1 6 1 0 11 1 1 1 2 6 7 1 0 3 5 7 13 10 14 4 5 2 1 3 3 2 5 3 1 0 1 3 3 2 14 4 3 3 4 2 7 7 5 4 3 3 5 5 7 4 5 5 2 2 2 1 1 2 3 2 2 3 2 1 2 10 2 1 6 16 3 12 45 1 3 2 34 8 13 18 14 51 3 1 2 2 1 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 1 1 1 3 3 1 1 2 2 2 3 4 20 3 2 1 1 1 4 16 2 1 0 0 0 0 0 0 0 1 0 0 1 4 17 1 2 4 3 3 5 10 72 35 5 12 100 5 2 2 1 1 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 0 0 0; 1HNMR: 92 92 d 1H J 64 | 81 81 s 1H | 65 64 d 1H J 62 | 48 47 s 2H | 39 38 m 2H | 37 35 m 4H | 29 28 d 3H J 14 | 20 18 m 2H | 17 16 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)Oc1ccccc1OC(C)C
ir: 0 4 2 2 2 1 1 2 2 2 2 1 2 2 2 2 1 1 1 1 1 2 5 7 13 21 57 52 13 6 9 6 2 1 1 1 2 1 2 2 5 11 47 42 15 0 1 4 3 1 1 2 2 1 1 2 1 0 1 1 1 0 1 1 1 2 2 2 2 2 4 3 1 4 6 13 3 2 2 3 2 9 5 5 4 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 3 3 1 1 1 1 1 1 1 2 5 7 4 3 6 4 3 3 3 3 1 4 2 1 1 1 1 1 2 21 4 1 4 18 23 100 47 3 4 18 13 33 27 9 3 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 2 2 0 2 6 4 4 4 9 19 74 51 7 3 3 2 0 2 2 1 1 1 1 1 1 1 1 2 3 2 2 4 18 32 16 27 15 5 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 72 71 dd 1H J 13 80 | 71 71 td 1H J 13 77 | 70 70 td 1H J 13 77 | 69 69 dd 1H J 13 81 | 53 52 q 1H J 54 | 48 48 p 1H J 56 | 28 28 d 3H J 53 | 13 13 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(C)C(C)(OC(N)=O)N(c2ccc(Cl)c(Cl)c2)C1=O
ir: 2 3 3 4 2 3 4 3 1 4 7 9 100 3 0 3 4 7 4 6 8 3 2 3 4 4 2 3 2 5 4 3 3 2 2 3 3 2 4 8 33 50 24 5 2 3 3 2 2 3 2 3 3 4 6 4 4 5 2 2 2 3 3 2 3 3 3 10 7 4 3 6 3 3 4 9 5 4 3 2 2 2 3 2 2 2 2 2 3 2 2 3 4 3 3 3 3 3 3 5 4 3 2 2 2 2 2 2 3 4 3 5 3 3 3 3 3 9 16 6 3 3 3 4 4 5 3 3 8 4 3 3 6 4 3 2 3 10 2 2 2 2 3 4 7 3 3 32 24 4 3 4 5 3 2 6 67 38 51 4 2 9 3 2 2 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 3 2 2 2 2 3 2 3 3 4 3 5 7 7 4 4 31 8 4 3 3 2 2 2 2 3 2 2 2 2 2 2 3 15 38 3 2 2 2 2 2 3 3 2 2 3 10 17 7 10 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 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; 1HNMR: 76 76 d 1H J 22 | 75 74 d 1H J 81 | 74 73 dd 1H J 21 81 | 57 57 s 2H | 21 21 s 3H | 19 19 q 3H J 10 | 19 19 q 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=CC2(Oc3c1ccc1ccccc31)c1ccccc1-c1ccccc12
ir: 2 2 3 2 2 2 1 1 2 1 1 1 1 1 1 2 5 28 4 1 1 1 2 2 2 2 10 2 11 3 4 3 2 2 8 5 3 3 8 5 4 5 99 4 4 3 2 1 1 3 2 1 2 7 83 4 2 5 2 1 1 3 3 1 2 2 1 2 2 3 1 1 5 18 6 4 2 3 5 2 2 9 1 4 1 2 1 1 2 3 4 2 2 2 4 2 10 2 11 2 12 4 3 2 4 5 4 15 6 2 3 2 1 2 2 2 2 7 4 1 1 1 2 1 1 2 6 100 8 2 0 3 4 5 27 48 14 9 3 6 37 5 12 3 5 6 6 4 5 6 30 4 3 11 3 3 1 4 2 2 5 2 1 1 1 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 2 2 2 3 2 4 3 2 6 14 6 37 21 94 52 11 11 6 4 2 2 2 2 6 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; 1HNMR: 80 80 m 1H | 78 77 m 1H | 77 76 dt 2H J 9 68 | 75 74 m 2H | 75 74 m 4H | 74 73 m 3H | 73 73 d 1H J 84 | 66 65 d 1H J 92 | 57 57 d 1H J 91
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(n2cc(-c3ccc(F)cc3)nc2-c2ccnc(NC3CCNCC3)n2)CC1
ir: 8 7 5 3 3 2 1 5 7 7 10 13 17 27 41 9 4 16 5 13 6 8 4 3 5 7 12 16 17 13 10 17 17 15 11 51 84 20 13 13 7 11 9 8 18 10 9 12 7 4 6 7 11 36 72 56 13 11 4 9 2 3 3 3 3 7 8 10 20 10 4 13 21 40 3 10 9 3 5 9 81 7 2 3 2 3 1 2 8 13 2 5 5 7 3 3 4 44 19 5 3 5 1 4 12 15 12 13 11 17 27 10 19 26 23 26 30 16 5 11 6 6 9 6 10 8 4 8 18 29 14 22 4 5 4 15 11 29 15 14 82 10 7 14 9 5 13 62 34 100 15 7 6 5 3 4 5 43 36 5 2 2 1 1 1 0 0 1 0 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 1 3 4 2 2 6 5 3 10 18 31 19 25 31 16 9 0 2 2 1 1 2 2 1 1 2 3 4 3 9 17 38 52 13 8 9 14 36 65 20 14 5 1 2 1 0 1 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 48 | 79 78 m 3H | 77 76 s 1H | 73 72 ddt 2H J 17 90 103 | 59 59 d 1H J 68 | 45 44 m 1H | 40 39 dp 1H J 57 68 | 34 33 p 1H J 41 | 30 29 dddd 2H J 22 41 49 142 | 29 28 m 4H | 27 26 ddd 2H J 46 72 115 | 24 23 s 2H | 23 22 dddd 2H J 37 46 73 117 | 21 20 m 4H | 18 18 dddd 2H J 22 49 57 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](O)[C@@H](CCc1ccccc1Cl)n1cnc(C(N)=O)c1
ir: 8 4 3 5 7 7 20 22 17 9 13 11 14 22 19 11 8 5 6 3 5 3 3 2 8 9 2 5 21 5 5 7 9 4 4 3 2 3 8 8 13 25 100 18 11 6 8 4 3 4 2 1 2 3 1 0 2 3 2 4 3 7 5 6 5 3 1 8 15 17 9 23 5 10 17 24 13 16 5 7 10 3 6 4 3 11 6 39 18 12 16 14 11 45 6 4 8 4 4 9 16 11 8 4 8 8 4 9 29 27 10 6 4 14 12 7 9 11 5 11 10 4 7 4 4 15 6 5 7 6 6 4 3 2 6 12 26 11 5 10 15 14 10 6 5 4 4 13 11 1 1 3 3 7 20 58 15 6 4 2 3 1 1 1 1 1 1 1 2 29 4 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 2 7 2 5 6 8 15 5 3 4 7 8 15 14 16 42 34 27 33 76 68 16 6 6 6 5 6 2 2 1 2 1 2 1 2 2 6 1 1 1 1 1 1 1 1 2 3 2 50 10 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 d 1H J 18 | 75 75 m 1H | 73 71 m 4H | 72 72 s 2H | 42 41 m 1H | 40 39 qt 1H J 48 61 | 37 36 d 1H J 48 | 28 28 dtd 1H J 8 74 149 | 27 26 dtd 1H J 8 75 149 | 23 22 dtd 1H J 55 75 130 | 20 19 dtd 1H J 54 74 131 | 12 11 dd 3H J 15 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(CC2CCNCC2)cc1-c1c[nH]c2cc(F)ccc12
ir: 2 4 6 3 2 2 3 3 4 4 3 2 3 2 3 2 2 2 7 7 3 5 16 5 3 5 4 2 2 3 2 2 2 2 2 2 3 3 5 8 7 4 4 2 6 13 4 10 6 4 3 2 3 5 7 0 14 4 3 3 5 3 4 4 4 4 21 24 8 8 5 7 3 11 7 6 3 2 3 3 4 3 4 2 2 2 2 2 6 3 4 8 7 5 1 3 6 8 2 2 3 3 5 2 6 4 23 17 26 14 27 8 14 12 18 15 17 12 11 5 9 35 9 6 3 7 9 7 7 11 8 3 3 4 29 6 4 2 2 2 7 18 3 2 2 2 2 4 2 2 2 2 6 2 28 11 4 3 2 2 2 4 3 2 2 2 2 2 2 1 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 2 2 2 2 2 2 2 1 2 2 2 1 1 2 2 2 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 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 5 5 5 4 8 5 5 9 5 14 8 11 12 17 32 20 19 57 39 100 5 2 3 4 2 2 2 3 2 2 2 2 2 2 3 3 4 9 3 3 2 2 6 22 9 4 2 3 2 2 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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: 96 95 d 1H J 71 | 81 80 dd 1H J 50 81 | 76 75 d 1H J 71 | 74 74 t 1H J 9 | 72 71 dd 1H J 22 121 | 71 70 ddd 1H J 22 82 104 | 50 49 p 1H J 39 | 41 40 dd 2H J 9 43 | 29 28 dddd 2H J 20 39 46 134 | 28 27 dddd 2H J 18 38 46 134 | 25 24 s 2H | 20 19 m 1H | 19 18 dddd 2H J 19 47 66 130 | 16 15 dddd 2H J 19 47 64 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCNc1ncc2c(-c3ccc(N)cc3)nn(C)c2n1
ir: 6 8 2 6 10 5 3 4 9 2 3 2 4 4 6 3 2 3 3 4 6 4 2 4 2 1 2 2 3 2 4 3 1 3 2 1 3 2 5 3 5 1 1 2 2 1 1 3 3 0 1 7 4 2 17 53 87 37 5 1 2 6 2 2 2 2 1 0 2 7 1 2 2 6 2 1 2 3 8 5 4 1 2 2 2 2 1 7 7 5 2 6 17 4 1 1 1 1 1 1 1 2 3 1 1 2 6 1 2 1 3 3 7 4 4 2 4 2 2 5 1 2 3 3 3 8 3 4 2 2 3 6 2 6 12 9 3 2 3 18 1 10 14 3 1 1 2 9 18 12 9 55 24 4 2 5 10 28 7 7 17 2 1 9 10 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 3 5 2 9 16 8 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 15 10 4 1 1 1 3 7 19 48 9 8 100 25 5 2 1 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 1 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 77 76 m 2H | 68 68 m 2H | 60 60 t 1H J 43 | 45 44 s 2H | 41 41 s 3H | 37 36 td 2H J 43 64 | 29 28 t 2H J 63 | 27 26 q 4H J 69 | 11 11 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C=CCN1Cc1ccccc1
ir: 13 5 3 3 2 2 4 4 2 2 3 3 5 3 3 2 1 3 3 2 2 4 4 3 2 2 3 2 3 6 6 17 38 6 6 2 3 5 6 8 44 6 26 20 13 13 10 5 3 3 4 2 2 3 2 1 2 3 2 2 2 3 3 47 5 5 3 2 4 6 2 2 3 6 5 3 3 7 8 2 3 3 2 2 11 9 3 3 11 19 5 4 5 20 9 8 5 10 9 3 3 3 2 2 3 3 2 2 3 3 2 7 17 37 7 8 8 7 4 4 8 4 3 4 6 16 3 3 4 3 8 6 4 2 2 49 11 3 4 4 6 0 36 100 18 8 8 3 3 5 4 17 7 2 2 4 4 6 24 9 3 2 2 2 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 3 3 4 5 3 2 4 6 10 5 9 22 26 42 64 23 17 2 1 4 6 3 1 3 4 2 1 3 4 2 1 2 3 2 1 3 3 1 1 3 2 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 1 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 73 72 m 5H | 66 65 dt 1H J 25 73 | 60 60 dt 1H J 9 73 | 46 46 t 2H J 7 | 39 39 dd 2H J 9 26
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C2CNc3c4c(nc5cccc(c35)O2)CCCC4)cc1
ir: 9 15 24 90 76 26 29 65 25 10 16 15 29 10 13 9 18 16 6 7 7 7 6 12 16 7 6 10 14 31 30 20 16 12 11 7 7 8 7 10 43 15 8 9 14 46 8 20 8 9 7 12 8 26 31 0 46 10 8 7 7 7 8 8 7 8 10 11 16 15 13 6 8 10 7 11 15 7 8 10 7 19 9 6 6 6 6 6 6 7 27 14 13 17 8 11 8 10 11 7 6 6 8 8 8 7 7 6 7 8 5 9 10 11 24 61 24 32 18 48 24 23 7 9 10 14 8 9 9 12 29 15 7 8 13 47 14 20 28 13 11 7 19 19 66 34 82 26 10 4 6 9 12 6 8 89 8 6 6 11 57 12 8 13 20 8 6 6 6 5 5 6 5 5 6 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 5 5 6 5 5 6 6 5 5 6 6 5 5 6 6 5 5 6 6 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 5 6 5 5 5 6 5 5 6 6 5 5 6 6 6 6 6 6 6 6 7 6 5 6 6 6 6 6 7 7 10 9 8 7 6 9 10 11 20 19 22 31 100 37 42 11 7 8 12 7 6 6 11 7 6 6 9 9 9 13 11 9 8 21 16 10 37 99 80 10 22 8 9 7 8 7 7 9 6 7 6 6 5 7 6 5 6 6 5 5 5 6 6 5 6 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 6 6 5 6 6 6 5 5 5 6 5 5 6 5 5 5 6 6 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6 5 5 5 6; 1HNMR: 75 74 m 2H | 74 73 m 1H | 74 73 s 4H | 70 69 dd 1H J 19 80 | 66 66 t 1H J 60 | 53 53 t 1H J 38 | 42 41 ddd 1H J 38 60 136 | 39 39 ddd 1H J 37 60 134 | 31 30 m 2H | 30 29 m 2H | 19 18 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1cc(Cl)cc2c1ncn2C1CCCCO1)C(=O)OC(C)(C)C
ir: 0 4 6 9 9 14 7 5 2 17 13 14 3 8 4 4 3 3 6 5 1 5 4 2 2 4 7 5 4 3 5 1 2 7 5 1 2 4 7 5 3 5 4 5 3 4 4 1 2 6 4 1 3 4 3 2 2 6 2 1 3 5 4 2 4 7 6 6 8 8 21 5 4 6 3 5 5 4 2 4 12 9 8 2 3 3 1 1 3 3 4 2 4 4 1 4 6 7 7 7 10 5 5 5 5 20 7 8 6 5 2 7 37 6 1 7 8 5 5 6 9 5 7 30 17 12 6 15 12 13 13 14 14 8 10 5 4 2 1 3 3 3 9 22 13 3 3 4 6 9 100 76 12 12 3 3 3 1 1 3 2 5 6 3 2 0 1 3 2 0 2 3 1 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 3 3 4 3 5 4 4 7 4 2 3 9 7 18 39 9 15 18 18 8 5 3 3 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 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 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 83 83 d 1H J 8 | 76 75 d 1H J 22 | 75 74 dt 1H J 9 21 | 60 59 td 1H J 7 29 | 47 47 d 2H J 8 | 39 38 m 1H | 37 37 m 1H | 30 30 s 3H | 24 23 dddd 1H J 29 45 97 104 | 21 20 m 1H | 19 18 m 1H | 18 16 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1ccc[nH]c1=O
ir: 3 3 1 2 3 2 1 2 3 2 1 2 3 5 7 3 2 2 2 2 2 1 1 2 2 2 1 2 3 6 3 11 3 2 2 3 3 6 32 74 54 31 8 12 3 4 7 21 19 5 3 2 2 1 3 63 27 100 8 4 8 12 25 49 29 19 8 7 5 6 4 6 3 4 3 2 2 1 2 31 2 25 3 3 3 3 4 4 7 9 10 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 2 3 4 8 2 2 4 4 5 4 2 2 3 2 2 5 28 53 21 6 4 4 5 4 5 3 3 2 2 3 3 7 23 42 29 23 7 5 5 0 14 10 4 1 2 24 44 17 4 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 2 2 2 2 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 1 2 3 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 1 2 2 2 2 2 2 2 2 3 2 2 3 3 3 11 20 12 5 3 3 2 3 2 2 2 3 4 14 13 22 6 3 3 3 2 11 15 39 31 29 7 4 4 6 4 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 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1; 1HNMR: 83 82 dd 1H J 13 75 | 80 79 td 1H J 13 67 | 67 67 m 1H | 45 44 d 3H J 42
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nn2c(Cl)cc(C)nc2c1S(=O)(=O)c1cccc(C)c1
ir: 4 4 4 5 5 8 9 6 19 15 18 6 7 20 10 5 13 49 6 6 4 4 4 8 13 8 5 3 3 24 64 33 33 34 7 7 5 3 3 5 4 2 5 7 24 100 24 5 6 6 4 4 7 4 4 4 7 7 5 5 4 7 17 33 18 6 12 10 6 4 6 8 7 5 10 32 6 8 9 11 9 6 5 14 50 45 34 14 4 4 4 4 4 4 4 6 38 25 7 9 6 4 4 4 5 5 5 5 6 5 9 13 2 5 6 8 8 11 8 5 10 11 6 9 6 20 24 11 6 6 3 60 45 4 4 5 5 5 13 23 44 13 59 10 6 3 3 5 5 3 3 6 6 2 6 14 58 6 4 11 89 18 5 0 3 6 4 2 3 6 4 2 4 5 4 2 4 5 3 3 4 5 4 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 5 4 5 4 6 5 4 4 4 4 5 5 7 6 7 9 10 24 13 7 19 43 62 34 6 9 6 4 4 6 6 3 4 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3; 1HNMR: 79 79 dt 1H J 21 73 | 77 77 t 1H J 21 | 74 73 m 2H | 70 70 q 1H J 9 | 27 27 d 3H J 11 | 27 26 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1cc(-c2nc(-c3ccccc3)cs2)c(-c2cncc(C(=O)O)c2)cn1
ir: 3 2 5 3 1 2 2 1 1 2 3 2 1 2 2 4 9 9 4 4 4 21 35 4 4 6 3 3 3 3 10 3 2 3 39 6 5 3 12 7 23 100 5 5 3 3 4 5 3 8 1 0 1 7 2 1 2 3 2 1 1 1 4 1 1 2 4 10 11 7 9 3 3 6 5 3 6 15 20 3 10 3 3 2 7 9 2 2 3 1 1 8 3 2 1 1 1 1 0 1 2 2 1 1 2 2 2 1 3 4 1 8 6 6 2 2 7 9 2 5 6 8 5 5 17 14 3 2 4 2 2 2 2 2 1 19 2 1 1 2 1 2 2 9 12 6 4 5 2 4 32 18 49 6 3 1 3 2 8 4 9 10 6 8 4 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 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 1 1 1 1 1 1 2 2 3 3 2 4 28 13 13 2 1 3 2 2 1 12 76 5 1 2 1 1 1 1 1 2 2 3 5 7 5 16 5 5 3 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 t 1H J 16 | 89 89 t 1H J 16 | 89 88 s 1H | 88 87 s 1H | 85 85 t 1H J 16 | 82 82 s 1H | 79 78 m 2H | 76 76 s 1H | 75 74 m 2H | 74 73 m 1H | 64 64 t 1H J 38 | 33 32 qd 2H J 37 61 | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1N(c2ccc(C3CC3)cc2)CCC12CCN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2
ir: 3 7 4 3 5 4 5 5 4 9 8 8 16 11 17 9 3 5 11 2 2 5 4 4 2 3 3 3 3 3 4 7 26 8 4 3 4 3 6 7 28 8 28 3 8 5 4 3 4 5 9 4 3 3 5 31 51 13 6 0 4 4 4 6 15 32 16 3 6 12 3 0 3 6 19 3 6 8 100 6 21 8 7 8 19 21 54 31 63 9 10 4 3 6 4 3 1 7 34 9 20 10 13 12 34 7 1 9 38 6 4 5 12 6 2 20 7 7 3 6 8 4 1 3 6 8 4 7 7 11 5 5 5 3 1 4 5 46 1 3 4 5 10 5 4 3 3 10 51 28 40 25 17 5 5 5 3 1 3 9 6 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 3 1 3 3 4 2 4 5 3 3 3 9 6 3 19 25 20 72 37 12 10 3 4 4 2 2 2 3 2 1 3 4 2 1 2 2 2 1 2 3 1 1 3 2 1 1 2 2 1 1 2 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 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 2 2 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 79 78 dd 1H J 15 77 | 78 77 dp 1H J 13 103 | 76 76 ddd 1H J 15 66 105 | 76 75 ddd 1H J 14 65 79 | 72 72 m 2H | 72 71 m 2H | 37 37 m 2H | 35 34 ddd 2H J 44 70 134 | 34 33 ddd 2H J 44 71 134 | 26 25 dq 1H J 57 64 | 24 23 ddd 2H J 44 71 118 | 21 20 m 2H | 19 19 m 2H | 19 18 m 2H | 16 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(S(C)=O)c(C#N)c(=O)n2nccc12
ir: 4 10 18 10 2 13 21 9 1 10 18 8 2 12 36 17 50 13 16 9 9 13 19 22 3 20 14 7 4 13 13 5 5 14 13 21 11 15 12 3 8 19 17 3 7 16 11 6 23 100 26 5 10 22 13 35 10 19 9 0 11 18 11 1 11 16 8 52 13 17 11 7 13 20 8 3 11 15 13 14 13 19 26 16 46 27 14 8 16 13 5 7 13 12 3 8 26 14 45 9 22 10 4 8 16 11 7 12 26 30 13 13 19 14 2 14 27 17 15 14 18 39 11 18 19 16 11 15 16 8 4 13 16 8 5 11 14 6 4 18 20 7 5 14 14 7 7 15 21 8 7 14 11 5 8 18 22 16 56 33 13 4 10 16 10 1 9 16 9 1 9 17 9 2 9 16 8 2 11 16 8 3 31 15 7 3 11 14 6 3 11 14 6 4 12 13 5 5 12 12 5 5 13 12 5 6 13 11 4 7 14 11 3 7 14 10 3 8 15 10 3 8 15 9 2 8 15 9 2 9 15 8 3 9 15 8 3 10 14 7 4 10 14 7 4 11 13 7 5 11 13 6 5 12 12 6 5 12 12 5 6 14 12 5 7 14 11 5 9 21 14 9 9 16 12 5 8 17 11 7 13 20 15 14 36 39 17 17 15 31 28 10 13 15 9 5 11 14 7 5 11 13 7 5 11 13 7 5 11 13 6 5 12 12 6 6 12 11 5 6 12 11 5 7 13 10 5 7 13 10 4 8 14 10 4 8 14 9 3 8 14 9 3 9 14 8 3 9 14 8 4 10 13 8 4 10 13 7 5 10 12 7 5 11 12 7 6 11 12 6 6 11 11 6 6 12 11 6 7 12 10 5 7 12 10 5 8 13 10 5 8 13 9 4 8 13 9 4 9 14; 1HNMR: 76 75 d 1H J 40 | 61 61 d 1H J 40 | 42 41 q 2H J 68 | 28 28 s 2H | 12 12 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CCCC(=O)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
ir: 6 3 4 3 2 3 4 3 3 3 3 3 4 3 3 3 5 13 5 2 2 4 4 4 3 4 3 2 2 3 5 3 2 3 2 2 2 3 2 2 1 2 2 1 2 3 2 2 3 2 4 1 2 2 3 2 2 3 2 3 2 3 3 2 3 4 5 4 3 4 5 3 3 2 3 3 4 3 2 2 6 3 3 4 8 29 20 20 12 14 24 11 6 7 5 2 3 2 2 2 2 3 2 3 5 6 6 4 6 5 10 6 6 6 6 9 6 6 0 5 8 3 4 9 8 5 3 3 3 2 3 2 3 2 6 4 4 3 2 3 5 2 3 47 3 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 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 1 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 3 4 3 6 5 6 8 4 6 6 6 9 8 8 21 11 4 2 3 2 4 4 4 12 35 100 9 5 4 3 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 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 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: 37 36 tdt 1H J 16 35 55 | 29 28 d 1H J 53 | 25 24 m 1H | 24 23 m 1H | 22 21 ddd 1H J 26 48 73 | 21 20 m 1H | 19 18 m 1H | 18 14 m 11H | 14 11 m 5H | 11 10 dddt 1H J 15 30 63 90 | 8 8 d 6H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)C1CC2CC1C1=CCCCC12
ir: 23 6 3 4 2 2 3 1 0 4 9 1 0 2 5 22 6 2 2 1 1 1 1 1 2 1 3 1 7 10 3 1 1 2 2 5 7 3 2 1 1 5 4 3 2 3 3 2 1 2 2 1 2 2 1 0 2 6 9 5 14 29 17 4 3 4 6 9 7 3 2 16 4 2 2 2 2 2 2 1 5 6 2 1 2 3 4 4 3 5 28 17 10 8 2 30 44 2 4 9 10 67 100 25 78 77 25 53 98 23 4 22 34 16 27 23 17 13 10 10 7 13 3 4 5 5 4 3 4 2 4 9 8 2 2 4 15 4 2 3 3 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 3 12 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 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 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 2 3 2 3 2 4 2 4 6 2 22 13 12 11 22 47 22 16 26 38 68 7 5 2 2 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 56 55 m 1H | 29 29 ddq 1H J 15 31 55 | 24 23 m 1H | 22 20 m 5H | 18 17 m 3H | 17 16 m 1H | 16 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)n1c(=O)c(=O)[nH]c2cccc(Cl)c21
ir: 1 1 1 1 1 2 2 3 2 1 2 2 4 1 2 3 5 6 5 17 9 1 1 2 3 31 28 15 17 3 2 3 2 1 2 3 1 1 2 2 1 1 2 3 4 1 11 7 7 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 2 1 1 1 3 5 10 9 3 3 11 3 2 2 6 7 2 1 1 3 9 2 2 2 1 1 1 1 1 1 1 7 4 2 3 5 1 3 5 7 12 4 1 1 1 1 1 1 1 2 3 2 1 3 2 2 1 1 1 1 2 1 2 2 2 1 1 4 5 5 2 5 4 3 1 2 2 1 8 7 2 1 16 25 100 17 3 0 1 1 2 41 22 4 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 1 1 1 1 1 1 1 1 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 3 2 1 1 1 2 1 1 2 2 3 3 4 3 5 6 11 12 14 5 2 2 2 2 1 2 54 30 42 16 6 5 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dd 1H J 12 85 | 73 73 dd 1H J 13 82 | 72 72 t 1H J 83 | 49 48 p 1H J 71 | 14 14 d 7H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCSc1nc(Cl)c2sc3nc(-c4ccccc4)cc(C)c3c2n1
ir: 0 0 1 1 0 0 1 0 0 3 8 1 1 1 1 1 0 1 1 2 7 3 1 1 0 1 1 1 1 2 7 4 2 1 1 0 1 1 5 8 2 2 5 1 2 2 1 2 4 4 21 100 3 0 6 0 1 1 1 1 0 1 4 3 7 2 1 4 7 5 5 3 1 0 2 1 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 4 4 2 1 1 0 4 1 0 3 2 1 0 3 2 1 1 2 1 2 5 2 3 2 3 3 2 1 1 1 1 2 4 3 7 1 0 3 7 0 0 2 39 7 2 8 3 2 1 5 23 5 6 15 4 1 1 1 3 5 1 0 1 3 19 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 3 2 6 7 10 13 18 9 2 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 2H | 75 75 s 1H | 75 74 m 2H | 74 73 m 1H | 32 31 q 2H J 71 | 27 26 s 3H | 15 14 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NC(c1cccc(OCc2ccccc2)c1)S(=O)(=O)c1ccccc1
ir: 3 4 1 2 2 2 2 3 5 8 5 10 4 6 3 3 2 2 1 2 2 2 2 2 4 4 2 10 15 13 29 10 6 5 1 2 3 10 9 21 23 5 1 3 4 4 10 6 3 1 1 2 1 1 1 2 1 0 1 2 2 2 2 3 4 5 5 10 8 5 3 2 2 1 2 2 2 3 4 2 2 1 1 0 5 32 3 4 5 6 3 2 2 1 2 2 2 9 7 4 1 2 2 2 1 3 5 2 10 4 5 2 1 1 3 2 1 3 6 8 6 6 5 2 1 3 4 2 3 6 5 3 1 3 12 9 3 2 4 2 15 7 28 100 44 17 3 4 4 24 2 3 4 1 2 9 3 1 2 1 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 2 2 1 1 3 2 4 5 5 18 15 13 56 15 11 9 4 2 1 3 3 2 1 2 2 1 1 2 1 1 1 1 2 1 3 4 13 27 8 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; 1HNMR: 79 78 m 2H | 77 76 m 1H | 76 75 m 2H | 74 73 m 6H | 73 72 m 2H | 70 70 q 1H J 10 | 69 69 dt 1H J 11 79 | 64 63 m 1H | 62 61 d 1H J 95 | 51 50 t 2H J 9 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1cc(C2CCOCC2)no1
ir: 0 1 1 1 1 1 1 1 2 1 1 1 4 3 3 1 3 2 3 6 1 2 1 1 1 3 3 2 1 2 1 1 1 1 2 1 1 1 2 2 2 3 3 3 3 3 3 15 23 13 25 8 15 18 5 6 7 6 8 4 3 3 2 1 2 5 4 13 6 9 19 38 35 61 32 26 13 3 3 9 8 21 4 3 2 1 1 1 1 1 1 2 3 1 5 1 2 4 3 1 1 1 2 1 4 4 3 5 4 3 3 5 5 4 3 2 2 3 7 3 1 10 5 6 7 9 8 16 20 18 27 6 33 25 26 37 17 4 4 3 3 2 1 4 3 1 1 1 1 1 1 1 1 3 4 97 24 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 1 2 4 4 3 8 6 4 2 5 5 6 3 2 9 6 1 2 1 2 4 3 5 14 54 28 54 31 17 10 6 1 93 100 51 19 2 5 3 2 1 1 2 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 62 62 q 1H J 8 | 43 42 td 2H J 9 69 | 38 37 ddd 2H J 38 66 110 | 36 36 ddd 2H J 38 64 110 | 30 29 m 1H | 23 22 dddd 2H J 38 58 66 154 | 21 20 dddd 2H J 38 57 64 154 | 15 14 t 2H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C(CNc2nc(-c3cccc4[nH]ccc34)nc3ccccc23)c2ccccc2)cc1
ir: 5 6 10 21 4 4 3 5 4 7 5 5 6 4 3 4 2 2 2 4 4 51 61 5 7 2 3 4 4 37 11 8 19 11 5 3 1 2 9 16 14 27 10 10 8 5 5 3 28 8 3 2 2 2 2 2 2 2 1 1 1 2 4 1 2 2 4 1 2 3 3 2 3 3 3 3 1 2 3 3 3 2 3 2 2 3 2 2 4 1 3 2 3 3 2 2 4 4 10 11 2 2 2 2 1 1 3 2 4 7 2 1 2 2 5 3 3 3 9 6 3 2 3 2 2 7 6 6 4 9 7 2 3 3 11 14 7 11 16 9 3 5 21 55 15 21 21 7 4 6 3 2 14 32 9 6 6 77 2 6 3 1 1 1 2 77 4 3 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 4 3 6 11 21 100 21 28 9 10 4 6 1 1 3 3 2 1 2 2 2 2 2 2 1 4 5 4 7 7 13 38 19 9 7 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 d 1H J 66 | 83 82 m 1H | 80 80 dd 1H J 13 94 | 78 77 m 2H | 75 74 m 2H | 74 74 dd 1H J 12 79 | 74 73 m 4H | 73 72 m 7H | 69 69 d 1H J 37 | 60 60 t 1H J 57 | 45 45 td 1H J 10 57 | 44 43 t 2H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CCN(Cc2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(Cl)cc4)cc3)cc2)CC1
ir: 2 2 4 4 8 2 1 2 3 7 1 5 7 11 2 7 4 1 1 4 3 1 1 4 5 5 9 3 4 1 1 2 7 2 1 2 3 9 15 7 2 2 2 3 4 3 5 4 5 2 7 5 10 13 63 41 40 15 8 10 5 2 2 2 2 3 8 4 15 13 2 2 1 0 3 8 3 11 39 43 33 15 4 2 2 8 28 6 6 2 2 7 12 3 7 4 6 3 7 8 8 6 6 6 31 9 11 4 5 2 4 2 1 2 2 1 1 3 8 6 2 3 3 4 5 3 7 5 3 3 3 6 3 4 4 4 1 2 2 1 3 4 4 4 10 41 20 94 20 12 5 17 15 64 4 5 4 2 3 3 21 3 2 2 6 3 3 4 2 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 2 1 1 1 1 1 1 1 2 2 2 3 3 2 1 2 3 3 4 9 13 18 22 63 100 40 24 9 6 8 5 3 3 2 1 1 3 1 1 2 2 2 1 2 3 5 5 17 61 7 4 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 98 98 s 1H | 78 77 m 2H | 76 76 s 3H | 75 74 m 5H | 74 73 dq 2H J 9 85 | 67 67 d 1H J 161 | 36 36 t 2H J 9 | 27 26 ddd 2H J 51 79 119 | 25 24 ddd 2H J 52 78 118 | 17 16 m 4H | 14 13 ddt 2H J 55 81 117 | 11 10 d 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CN=[N+]=[N-])[C@H]2SC1
ir: 8 7 19 7 7 5 4 7 23 13 8 10 10 9 6 8 6 11 9 22 89 100 61 10 10 5 16 10 21 18 18 18 16 25 74 37 25 15 12 8 6 5 12 4 4 7 5 4 4 10 6 12 31 7 7 5 5 7 11 8 4 3 20 7 7 7 4 4 4 6 7 6 6 7 9 11 24 43 27 5 5 7 5 4 7 14 8 4 5 8 7 5 10 5 11 6 6 5 11 15 5 4 4 4 5 5 8 4 5 11 33 4 7 6 8 6 8 6 3 7 7 4 5 9 9 12 8 13 10 7 23 39 29 5 5 7 4 3 4 4 4 4 3 6 8 6 37 99 21 32 8 12 7 5 5 19 3 4 4 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 4 4 5 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 4 4 3 3 3 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 4 3 3 3 3 3 3 4 3 3 3 4 3 3 3 4 5 3 4 6 5 4 4 8 5 3 6 19 7 9 21 7 5 4 3 4 4 3 4 5 4 0 79 41 7 6 3 3 4 4 4 4 6 6 9 14 10 51 36 6 5 5 4 4 4 4 4 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 65 65 d 1H J 81 | 56 56 dd 1H J 68 80 | 52 51 d 1H J 68 | 43 42 m 2H | 37 37 s 3H | 35 35 d 1H J 156 | 34 34 d 1H J 156
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC=C(c2nn(C3CCCCO3)cc2CO)CC1
ir: 10 16 11 21 49 73 15 8 14 15 40 47 12 8 5 11 6 5 7 4 3 3 2 5 3 5 12 5 14 22 22 19 27 9 3 5 9 1 7 7 6 5 10 4 7 1 2 2 5 6 5 9 9 7 11 8 11 12 11 10 7 13 24 12 7 8 9 56 18 15 16 14 9 4 5 5 8 9 14 33 19 10 28 16 74 100 40 19 15 10 10 9 4 5 19 18 12 17 3 3 3 4 11 7 3 15 10 10 5 6 10 11 19 32 43 22 21 93 24 44 44 17 37 19 10 20 5 17 8 23 11 11 7 4 5 9 12 7 12 30 72 19 16 51 33 2 2 4 3 0 24 45 6 3 2 3 2 1 1 1 0 0 0 1 0 0 1 1 1 0 0 1 0 1 1 0 0 1 1 1 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 0 1 0 0 1 1 1 1 1 1 0 1 0 1 0 0 0 1 0 0 0 1 0 1 0 0 1 1 0 1 0 1 1 1 0 0 1 1 0 1 0 1 0 1 1 1 1 1 1 0 1 0 2 1 2 1 1 1 1 2 2 1 2 5 2 8 6 10 10 10 13 7 8 13 12 12 12 29 86 37 28 8 7 22 50 20 4 5 14 19 49 0 3 3 1 1 1 1 1 1 2 1 1 0 1 1 0 1 1 2 3 1 1 1 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 q 1H J 8 | 64 64 tt 1H J 9 38 | 59 58 dd 1H J 19 27 | 48 48 dd 2H J 8 59 | 42 42 dt 2H J 10 38 | 40 39 t 1H J 59 | 39 38 m 3H | 37 37 ddd 1H J 32 49 104 | 32 31 m 2H | 24 23 dddd 1H J 24 55 81 148 | 21 20 dddd 1H J 22 54 79 146 | 20 19 m 1H | 18 17 m 1H | 17 15 m 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)N[C@H]1[C@H](OC)O[C@H](COS(C)(=O)=O)[C@@H](O)[C@@H]1O
ir: 24 19 20 16 58 36 19 36 18 13 5 7 12 11 4 6 36 27 37 16 18 15 48 31 22 10 14 10 7 10 7 5 4 8 8 13 8 11 16 26 100 23 6 10 7 2 4 9 10 14 5 8 5 1 3 2 5 30 12 5 2 2 4 6 12 12 5 17 15 29 7 13 14 44 16 4 4 6 5 8 12 8 3 5 20 6 12 40 65 64 24 8 10 4 3 26 39 30 18 12 23 34 25 19 2 10 9 4 5 3 4 3 4 3 2 3 4 5 6 8 5 10 15 14 6 10 13 6 4 4 2 4 4 3 2 2 2 2 2 2 7 10 3 3 3 3 4 5 2 75 79 8 5 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 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 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 2 3 4 3 2 4 4 7 9 8 18 12 8 11 5 4 1 24 67 30 11 8 27 19 6 2 0 3 3 2 2 4 4 4 6 9 9 21 35 63 12 5 4 3 2 2 2 2 2 1 2 3 2 2 4 2 2 1 2 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2; 1HNMR: 62 61 m 1H | 59 59 q 1H J 46 | 47 47 m 1H | 47 46 dtq 1H J 15 28 82 | 43 43 m 1H | 41 40 m 1H | 39 38 m 1H | 38 37 m 4H | 35 35 d 3H J 14 | 30 30 s 2H | 28 27 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)C=Cc1ccc(OCc2ccccc2)cc1C(=O)NCc1ccccc1
ir: 4 3 4 6 12 4 3 6 4 13 18 10 7 6 2 3 5 8 3 4 3 3 2 4 22 11 5 6 4 14 15 15 16 5 9 4 3 5 7 52 53 15 28 12 4 5 3 3 4 3 3 3 7 3 7 6 4 4 2 2 2 4 4 4 2 5 11 9 14 10 7 2 2 3 2 1 3 3 11 10 10 17 12 20 6 3 2 10 7 28 6 4 3 3 3 3 3 4 2 3 6 2 3 5 3 4 3 1 2 2 1 2 0 19 2 3 5 7 9 6 6 5 11 6 8 25 6 10 6 4 3 7 3 3 23 83 16 3 2 3 7 5 77 12 11 9 11 18 100 9 4 27 78 7 5 2 2 2 2 2 1 2 2 1 1 2 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 3 2 2 2 3 1 2 3 3 2 6 14 28 44 32 43 51 39 8 2 4 4 3 2 2 2 2 1 2 2 1 1 2 2 4 3 9 6 5 15 7 19 9 2 2 2 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 d 1H J 156 | 79 79 t 1H J 57 | 76 76 d 1H J 85 | 74 72 m 13H | 71 70 dd 1H J 27 85 | 63 63 d 1H J 156 | 51 50 d 2H J 9 | 46 45 dd 2H J 8 57 | 15 15 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(C)cc(Br)cc1=O
ir: 1 1 1 1 3 3 2 2 1 1 1 1 1 1 1 1 2 1 3 3 1 1 1 1 1 3 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 7 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 9 8 21 7 4 1 1 2 7 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 6 10 1 2 1 0 0 1 1 2 5 14 14 2 1 1 1 1 1 2 3 1 1 1 2 1 2 2 1 1 7 3 1 1 1 2 1 1 1 1 1 1 1 2 1 0 1 1 5 4 1 1 1 1 1 1 0 1 2 1 0 0 2 33 43 3 3 78 100 3 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 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 3 2 5 5 4 3 18 17 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 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 68 68 p 1H J 12 | 66 65 d 1H J 7 | 39 38 q 2H J 70 | 23 23 d 3H J 13 | 13 12 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C[C@](C)(N)c1ccc(F)c(Br)c1
ir: 1 1 1 2 1 1 1 0 1 1 2 8 6 2 2 1 0 0 1 1 1 7 1 1 1 0 0 0 1 0 1 1 2 7 6 4 2 1 1 1 2 14 25 4 1 1 1 1 3 22 3 6 2 2 14 19 100 15 6 2 2 5 20 84 9 7 16 49 62 26 17 11 4 4 15 11 14 4 2 2 2 2 4 3 1 1 1 2 1 6 23 2 1 3 2 2 5 1 1 4 9 8 2 1 2 1 1 2 1 2 5 15 27 16 11 3 3 3 7 9 12 7 1 6 5 3 2 6 5 7 23 29 45 34 22 12 6 7 2 15 2 1 1 0 1 0 1 2 4 25 13 1 0 4 9 1 11 10 1 0 1 2 1 1 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 3 1 1 1 2 3 2 1 2 6 5 2 3 9 7 19 25 21 3 6 9 18 10 1 1 1 0 2 4 4 51 78 28 9 4 1 1 5 38 31 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dd 1H J 23 29 | 73 72 ddd 1H J 23 34 81 | 72 71 dd 1H J 80 101 | 49 48 hept 1H J 15 | 48 47 dh 1H J 9 21 | 28 28 dt 1H J 13 163 | 26 25 dt 1H J 14 163 | 21 21 s 2H | 16 16 dd 3H J 7 15 | 15 15 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C=NO)(CC)CC=CCCC=CCC(N)c1ccccc1
ir: 2 1 1 2 1 11 53 6 2 3 4 3 1 2 1 1 1 1 1 2 2 2 1 1 0 0 1 0 1 2 3 5 1 3 4 2 2 6 4 2 7 29 4 2 9 2 2 3 1 7 4 1 1 1 2 5 2 9 3 5 4 1 3 2 3 2 7 3 4 9 6 3 4 2 15 100 27 37 6 6 9 5 3 2 2 2 0 1 2 5 9 1 1 1 3 5 6 3 1 9 5 2 0 0 1 1 2 1 1 1 2 3 4 2 3 3 4 3 4 8 4 4 5 3 7 4 7 8 15 7 21 12 27 18 4 7 1 2 1 2 2 1 1 7 3 1 1 0 0 0 0 0 3 1 2 4 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 2 2 1 1 2 2 5 11 3 36 11 11 9 5 2 2 0 1 2 27 28 2 2 4 9 13 10 4 2 2 2 3 3 10 26 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; 1HNMR: 87 87 s 1H | 74 74 p 1H J 9 | 74 72 m 5H | 55 54 m 3H | 54 54 m 1H | 42 41 m 1H | 27 26 m 1H | 25 24 d 2H J 61 | 24 23 m 1H | 23 22 dddd 1H J 9 16 52 148 | 22 22 m 1H | 22 21 tt 4H J 14 32 | 18 17 dqd 2H J 9 65 128 | 15 14 dqd 2H J 9 65 131 | 9 8 t 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(-c2cccc(-c3nc(C)cc(Cl)n3)n2)c1
ir: 1 1 0 1 1 4 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 6 1 0 0 1 1 1 3 2 1 1 5 2 1 1 1 1 1 0 1 2 2 14 35 8 16 4 2 1 1 3 7 3 1 1 1 1 0 1 2 4 3 2 5 2 1 1 14 2 6 2 3 2 1 1 1 2 2 4 11 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 2 2 5 1 3 1 1 2 4 3 4 1 0 9 64 7 3 2 14 26 4 1 1 2 2 1 1 2 2 2 7 100 36 5 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 3 4 5 33 46 27 20 4 2 1 1 1 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 dd 1H J 15 92 | 79 78 dd 1H J 73 92 | 78 78 dd 1H J 13 73 | 76 76 ddd 1H J 12 21 82 | 75 75 dt 1H J 12 24 | 74 74 dd 1H J 77 84 | 72 72 m 1H | 70 70 s 1H | 25 24 s 3H | 24 24 d 2H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(=O)Oc1ccc(C(C)(c2ccc(OC(=O)C=C)cc2)c2ccc(OC(=O)C=C)cc2)cc1
ir: 1 1 3 4 4 3 2 1 1 1 1 3 4 1 1 3 2 7 3 1 1 1 0 0 0 0 1 0 1 1 2 1 1 4 3 4 21 15 9 5 2 2 1 1 2 3 2 0 1 4 7 7 5 13 3 11 27 12 29 2 4 1 1 1 1 1 0 0 2 6 7 15 12 16 4 2 1 0 1 1 1 1 1 1 14 13 4 7 9 17 4 4 1 1 1 2 1 1 1 1 1 1 1 2 19 0 1 0 0 0 0 1 1 5 10 5 0 1 1 0 0 0 1 1 1 2 4 4 4 4 2 22 3 4 1 1 1 1 1 0 1 2 3 5 11 22 28 26 10 29 14 6 8 16 11 4 2 4 2 6 8 5 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 0 1 1 1 1 1 1 1 1 1 9 43 7 4 5 3 21 27 100 18 10 6 3 5 5 7 5 1 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 13H | 64 63 dd 3H J 114 168 | 61 60 dd 3H J 26 168 | 59 59 dd 3H J 26 114 | 21 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ncc(C(CCCCCCCc2ccc3c(n2)NCCC3)C(=O)O)cn1
ir: 4 3 3 4 1 3 7 4 30 8 13 12 13 9 3 12 11 6 7 10 17 46 85 28 9 9 12 26 3 4 4 2 2 12 5 5 11 8 13 24 8 4 5 5 3 4 2 0 3 5 2 6 11 23 48 12 5 7 6 9 2 3 1 2 4 4 2 1 3 3 7 2 1 2 3 8 3 6 16 29 5 5 3 2 2 2 1 1 3 3 4 3 3 11 3 2 9 5 11 7 3 8 4 2 1 1 2 4 5 5 3 6 2 4 5 3 4 11 17 15 5 5 7 6 15 87 8 9 18 6 4 3 2 1 2 3 4 2 3 11 35 76 22 29 5 11 7 4 22 13 5 13 25 12 3 4 2 2 18 54 7 2 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 0 1 0 1 0 1 1 1 1 1 1 4 4 2 4 2 1 1 3 8 3 7 6 4 6 11 6 2 1 0 1 1 2 5 22 51 7 3 1 1 2 2 1 1 2 2 3 3 13 21 29 100 23 6 3 2 2 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 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; 1HNMR: 82 82 s 2H | 71 70 dt 1H J 9 79 | 66 65 dt 1H J 8 77 | 46 46 t 1H J 38 | 40 40 s 2H | 37 37 m 1H | 34 34 m 2H | 28 27 dtd 4H J 8 77 293 | 22 20 dq 1H J 85 139 | 20 18 m 3H | 17 16 p 2H J 79 | 16 14 m 1H | 14 13 m 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.