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DeerEyeRain
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Input
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850
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Instruction
stringclasses
1 value
C#CCn1ccnn1
ir: 7 4 4 11 21 15 10 9 6 3 1 3 5 2 0 3 4 2 1 3 3 1 0 3 3 1 1 3 3 1 3 9 29 4 4 5 3 4 2 3 3 1 2 6 7 7 3 4 3 0 2 4 3 3 6 4 4 6 4 5 8 2 3 4 2 0 2 4 2 0 3 4 2 1 7 8 9 20 28 14 5 5 6 5 18 10 12 3 2 2 3 5 3 3 11 7 4 3 4 3 1 2 4 2 0 2 4 2 0 2 4 2 1 2 4 3 2 5 7 3 1 3 4 2 1 7 8 2 1 3 4 2 1 3 3 1 2 8 7 2 2 3 2 11 40 8 3 1 1 4 8 14 7 8 4 1 2 3 3 1 2 4 2 0 2 4 2 1 2 4 2 0 2 4 2 1 7 13 2 0 3 5 3 1 2 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 3 2 4 5 3 1 2 4 3 1 2 7 11 3 3 5 8 8 22 19 23 7 3 5 2 0 3 6 5 1 5 90 100 38 5 5 5 3 2 3 2 2 3 3 2 2 3 4 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 78 dt 1H J 8 20 | 78 77 d 1H J 22 | 49 48 dd 2H J 8 25 | 26 25 t 1H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCn1c(=O)[nH]c2c(Cl)cc(OC)c(OC)c2c1=N
ir: 1 3 5 4 12 9 2 2 1 2 2 1 1 3 1 1 1 4 5 2 5 4 3 3 4 5 4 21 6 5 7 4 2 9 24 18 18 4 4 3 3 7 33 31 23 10 18 57 39 4 2 1 2 2 1 1 1 1 3 3 5 5 2 1 4 6 17 17 7 7 11 2 3 3 6 7 1 1 2 4 3 1 2 3 2 2 8 68 22 4 2 2 1 2 1 1 1 3 8 6 5 2 1 1 2 2 3 3 2 3 4 4 2 2 2 1 3 2 1 4 11 2 2 2 2 1 9 8 5 1 2 2 1 1 2 3 1 2 2 6 5 3 18 5 1 0 1 1 1 2 3 1 1 1 4 100 85 4 2 33 14 22 43 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 4 9 3 2 6 5 2 1 0 1 1 1 0 1 1 1 0 1 1 2 4 36 4 3 2 1 2 2 52 68 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 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 1 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 86 86 s 1H | 71 70 s 1H | 39 39 d 7H J 70 | 38 37 t 2H J 64 | 16 15 p 2H J 67 | 12 11 m 2H | 9 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1ccc(-c2cc3c4c(ccn4C(=O)CNC3)c2)cc1
ir: 3 3 3 1 1 1 1 1 1 2 5 1 2 1 1 2 3 4 1 1 4 2 2 7 3 2 5 16 8 11 3 2 1 2 1 0 1 4 1 2 1 2 2 1 7 11 21 45 4 2 3 7 28 40 100 11 2 0 2 1 1 2 10 2 1 1 6 2 5 3 7 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 10 1 1 3 6 3 1 2 2 3 3 1 2 1 20 4 2 2 3 5 7 3 3 1 7 36 62 7 3 3 18 3 4 2 2 3 3 9 11 2 7 11 2 2 2 3 11 4 3 2 5 2 2 12 9 4 4 8 2 3 17 8 1 3 4 1 1 4 0 1 10 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 4 1 1 1 1 1 1 2 2 2 2 1 1 2 6 2 14 24 15 23 31 4 2 4 2 1 1 2 2 1 1 1 1 1 3 3 10 39 47 4 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; 1HNMR: 100 99 s 1H | 80 79 t 1H J 22 | 79 79 d 1H J 51 | 78 77 m 5H | 67 66 dd 1H J 22 51 | 41 41 d 2H J 46 | 40 40 dd 2H J 8 47 | 23 22 p 1H J 47
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(Nc2c(N)ccc(Cl)c2Cl)sc2ccccc12
ir: 3 2 5 9 3 8 5 8 6 6 3 9 9 5 3 3 2 1 1 6 6 4 4 2 5 2 0 2 4 3 3 17 6 8 11 11 4 4 7 3 2 3 21 15 4 2 3 2 2 2 2 2 2 10 5 3 1 0 5 1 1 0 1 1 1 1 1 2 1 1 2 3 10 3 5 2 1 1 1 1 2 2 1 1 1 0 3 2 1 1 1 1 1 1 1 1 6 13 3 1 2 1 1 1 4 1 1 4 1 1 2 1 1 1 2 4 1 1 1 2 1 1 2 1 3 19 9 3 1 2 1 1 1 4 9 1 2 6 0 1 1 1 2 3 3 1 2 2 1 24 10 27 3 6 13 4 4 45 42 6 8 33 13 2 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 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 2 3 21 19 9 2 1 1 0 2 1 1 1 1 1 1 1 2 2 1 5 13 2 5 3 11 33 14 13 3 4 6 7 100 3 1 1 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0; 1HNMR: 86 85 s 1H | 81 80 dd 1H J 15 74 | 78 78 dd 1H J 16 65 | 76 75 td 1H J 14 73 | 75 74 m 1H | 73 72 d 1H J 75 | 69 68 d 1H J 75 | 47 47 s 2H | 42 41 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCOc1ccc(CC[C@@](C)(NC(=O)OC(C)(C)C)[C@H](O)CC)cc1
ir: 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 3 2 1 2 3 7 9 6 4 8 8 3 4 6 41 10 15 9 7 4 4 2 2 3 1 2 3 2 2 0 1 5 2 2 2 4 7 3 9 3 1 1 1 2 1 1 1 2 2 1 2 2 2 1 1 1 0 1 1 1 0 0 0 1 0 0 1 2 3 1 2 3 2 3 1 4 4 7 11 16 5 5 6 4 1 2 2 1 1 2 1 2 8 4 6 2 1 1 2 3 2 3 4 3 2 3 1 2 1 2 1 4 2 3 1 1 1 1 1 0 1 1 1 1 4 24 100 16 3 2 4 2 2 3 4 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 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 1 1 1 2 1 1 3 1 1 1 1 3 2 2 6 14 3 5 21 4 10 13 8 10 3 2 1 1 1 2 2 1 0 0 1 0 0 0 1 0 2 3 39 16 4 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 dt 2H J 9 86 | 68 68 m 2H | 51 51 s 1H | 40 40 t 2H J 63 | 38 37 dddq 1H J 15 44 58 72 | 37 36 d 1H J 60 | 28 27 dtt 1H J 9 79 145 | 27 26 dtt 1H J 9 80 145 | 21 20 dt 1H J 80 145 | 18 17 m 3H | 17 16 dqd 1H J 57 71 141 | 15 14 dd 1H J 67 74 | 15 14 m 13H | 14 12 m 6H | 10 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@H]2SCc1ccccc1
ir: 3 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 9 1 3 4 1 2 1 1 1 1 2 8 3 2 4 4 3 17 12 40 5 4 4 10 8 6 4 3 5 3 19 19 25 5 3 9 5 2 2 1 2 1 2 2 3 5 2 3 10 10 3 4 3 2 6 2 2 2 3 3 12 6 3 2 2 1 2 3 2 19 7 11 9 5 4 5 4 7 2 3 2 1 3 2 3 3 4 4 3 6 2 5 16 9 7 9 4 8 4 3 3 4 4 5 9 3 2 4 2 4 5 2 4 6 7 3 5 39 4 2 2 6 5 5 6 43 53 14 9 3 3 2 3 4 10 10 2 2 2 0 1 2 2 0 2 64 5 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 2 1 2 1 1 3 3 2 4 5 8 8 3 6 5 9 7 1 19 50 41 100 20 8 7 7 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 m 4H | 73 72 m 1H | 69 69 ddq 1H J 10 20 101 | 64 63 dd 1H J 13 101 | 61 61 q 1H J 9 | 37 36 m 1H | 36 35 m 1H | 31 30 m 1H | 25 25 dddd 1H J 9 46 73 141 | 24 23 dddd 1H J 9 47 73 143 | 19 18 m 1H | 18 14 m 7H | 14 12 m 4H | 12 11 m 4H | 8 8 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Cl)C12CCCC(C1)C1CCC2C1
ir: 15 7 0 31 27 10 10 11 21 9 2 10 15 11 3 9 13 4 2 9 11 5 11 18 15 4 2 11 11 3 4 21 10 2 4 11 11 2 4 28 9 5 7 12 13 2 5 12 8 2 17 32 8 0 9 32 15 2 9 19 11 2 10 12 6 6 25 15 6 2 20 22 16 5 14 15 9 7 10 11 7 3 10 10 4 6 12 13 6 4 11 10 6 25 16 29 16 20 14 10 7 18 51 45 4 10 17 12 24 47 17 16 11 21 53 56 7 39 33 18 10 14 24 15 14 26 45 13 21 46 33 31 16 24 58 9 8 16 38 100 23 11 15 5 6 12 10 5 5 10 9 2 5 10 8 2 5 11 8 2 5 11 7 1 6 12 7 1 6 12 6 1 7 12 6 1 7 11 6 1 7 11 5 2 7 11 5 2 8 10 4 3 8 9 4 3 9 9 4 4 9 9 3 4 9 8 3 4 10 8 3 5 10 8 2 5 10 8 2 5 11 7 1 6 11 7 1 6 11 6 1 7 11 6 2 7 11 6 2 8 10 5 3 8 10 5 3 8 10 5 3 9 9 4 4 9 9 5 4 9 9 5 5 10 9 4 5 10 9 4 6 10 10 8 22 24 39 23 20 29 26 15 24 60 47 20 21 15 7 2 7 11 6 3 8 10 5 3 8 10 5 3 8 9 5 3 8 9 5 4 8 9 4 4 8 8 4 4 9 8 4 5 9 8 3 5 9 7 3 5 10 7 3 6 10 7 2 6 10 6 2 6 10 6 2 6 10 6 3 7 10 6 3 7 9 5 3 7 9 5 3 8 9 5 4 8 8 4 4 8 8 4 4 8 8 4 5 9 8 4 5 9 7 3 5 9 7 3 5 9 7 3 6 10 7 3 6 10 6 3; 1HNMR: 29 28 p 1H J 51 | 22 20 m 3H | 20 14 m 11H | 14 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)c1ncccn1
ir: 6 3 2 3 6 6 2 2 3 2 1 2 3 3 2 2 3 2 1 2 3 2 2 4 4 3 5 9 7 6 19 5 5 5 6 9 7 0 60 100 11 9 4 3 2 2 2 2 2 2 2 3 2 2 2 3 4 2 2 2 2 2 2 3 3 6 3 3 3 1 3 5 8 9 5 8 8 6 6 2 2 3 2 2 2 2 2 2 2 2 12 7 3 3 6 8 2 2 3 2 1 2 3 2 1 2 4 10 7 5 3 4 3 6 9 5 15 19 18 8 3 3 3 4 8 8 20 15 28 29 20 8 2 4 5 1 1 4 5 3 3 4 22 7 42 98 23 3 2 5 6 2 28 22 7 6 4 2 2 2 2 2 4 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 3 2 2 3 3 3 7 4 5 5 7 10 11 4 5 37 13 9 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1; 1HNMR: 87 87 d 2H J 45 | 72 72 t 1H J 45 | 42 41 p 2H J 63 | 38 37 q 1H J 75 | 17 16 d 3H J 75 | 12 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1Cc2ccccc2N(CC(O)CO)C1=O)c1cc2cc(Cl)sc2[nH]1
ir: 3 3 2 5 5 8 3 4 5 2 4 3 2 1 1 1 0 1 1 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1 1 1 2 3 3 5 15 7 7 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 3 2 2 3 1 0 1 0 0 0 0 2 1 1 2 19 3 5 19 2 1 1 1 1 0 0 3 0 0 1 0 1 1 1 1 0 0 1 1 2 4 1 1 1 4 1 1 0 1 2 4 5 4 4 1 1 0 0 0 0 0 0 1 0 2 1 0 0 7 1 2 2 3 2 1 3 3 6 1 0 0 2 1 0 0 0 0 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 1 1 1 0 0 1 1 2 2 2 1 1 2 5 2 5 1 3 2 3 13 100 37 5 2 1 1 1 1 0 1 1 1 1 2 1 4 2 8 11 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 80 79 ddd 1H J 26 64 82 | 80 79 d 1H J 82 | 74 73 d 1H J 22 | 73 71 m 4H | 47 46 dt 1H J 60 82 | 45 45 d 1H J 60 | 44 43 t 1H J 59 | 42 41 dd 1H J 59 121 | 41 40 dtd 1H J 51 59 110 | 39 38 dd 1H J 58 122 | 38 37 m 1H | 36 35 ddd 1H J 52 58 119 | 33 33 ddd 1H J 9 60 152 | 30 30 ddd 1H J 8 61 152
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCC(=Cc2ccsc2)C3=O)C(=O)O1
ir: 11 14 7 11 11 7 13 10 11 22 20 12 15 6 7 4 8 2 10 16 15 6 9 12 11 7 8 18 10 14 13 30 44 53 63 12 13 6 8 8 9 6 10 23 28 23 27 12 7 1 2 5 4 3 5 15 17 5 7 10 4 7 7 4 7 11 31 18 17 14 11 13 5 5 10 17 4 3 3 3 1 2 10 4 4 4 5 6 4 16 11 4 6 3 7 20 2 4 3 5 7 60 12 6 3 6 12 14 3 5 7 8 10 4 6 3 3 11 36 12 13 6 11 31 24 43 26 12 6 29 14 11 42 59 13 6 3 4 17 6 2 3 13 20 100 40 30 9 12 23 22 44 21 9 14 9 6 3 2 0 1 3 4 15 5 4 2 1 1 3 2 0 1 3 1 0 2 3 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 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 3 2 2 2 3 4 1 3 8 5 5 4 4 6 10 7 22 22 30 27 40 54 26 96 14 12 7 4 4 1 2 2 3 2 2 2 2 2 1 6 13 31 67 20 15 22 19 9 6 4 4 3 2 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 79 78 d 1H J 83 | 76 76 t 1H J 9 | 74 73 m 3H | 73 72 m 3H | 47 47 m 1H | 42 41 dd 1H J 16 130 | 39 38 dd 1H J 33 129 | 36 35 ddd 1H J 42 69 134 | 34 33 ddd 1H J 41 69 134 | 29 29 td 2H J 8 87 | 28 28 td 2H J 9 79 | 20 19 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(C)(O)Cc1cncc(C2CCC(=O)N2C)c1
ir: 2 5 4 2 3 6 1 3 3 8 8 2 2 3 3 6 7 42 51 15 21 7 8 16 10 2 3 3 3 1 1 3 4 4 5 16 100 7 4 1 2 4 1 1 2 2 3 7 29 4 1 1 2 3 4 2 2 5 49 1 5 6 24 5 6 7 6 5 3 3 13 7 6 11 20 18 54 56 29 12 5 7 5 3 2 1 4 3 6 17 25 43 23 3 6 3 0 3 2 4 3 2 6 4 1 17 10 7 6 4 3 4 14 45 8 7 6 13 18 6 17 49 18 12 7 22 9 7 3 16 8 29 26 6 4 2 0 1 2 0 0 2 1 0 0 2 2 1 33 37 4 42 4 1 2 0 1 64 1 1 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 5 6 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 3 3 5 3 2 3 3 3 3 8 36 4 14 3 6 8 2 2 1 2 1 6 7 1 1 2 1 1 2 56 31 2 2 1 1 1 1 1 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 84 83 m 2H | 75 74 tq 1H J 7 16 | 48 48 dddd 1H J 8 14 56 71 | 30 29 m 4H | 28 27 dt 1H J 8 147 | 27 26 s 1H | 26 25 ddd 1H J 46 63 139 | 26 25 s 1H | 25 24 ddd 1H J 45 64 139 | 23 22 m 1H | 20 20 dtd 1H J 46 61 126 | 15 15 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNCCNCc1cccc(C)c1
ir: 0 0 1 3 2 1 1 1 1 10 1 0 1 1 0 0 0 0 0 0 0 1 0 1 1 0 1 0 2 3 1 2 2 1 1 2 2 3 2 1 3 6 10 14 9 26 30 23 14 0 1 4 2 1 3 9 2 1 10 61 8 4 2 3 1 5 6 4 15 7 10 3 4 2 5 1 1 1 2 8 2 1 1 0 1 1 1 2 12 1 1 0 1 1 1 3 2 3 6 5 3 1 1 1 1 1 2 4 2 23 5 26 60 14 7 7 22 3 4 2 2 4 5 3 2 5 8 2 15 3 4 10 13 4 3 8 3 2 1 2 7 1 1 1 0 1 1 1 0 1 1 2 1 0 1 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 0 1 1 1 1 1 2 5 2 7 23 11 1 2 1 1 1 1 0 1 1 2 3 2 2 2 5 3 12 64 100 22 7 3 2 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 72 71 m 2H | 71 70 m 2H | 39 38 dt 2H J 9 52 | 34 34 p 1H J 52 | 28 27 m 4H | 26 26 d 3H J 47 | 23 23 m 2H | 18 17 h 1H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1=CC(C)(C)Oc2ccc(C(F)(F)F)cc21
ir: 5 4 4 4 11 12 13 7 3 5 4 3 6 14 9 2 1 5 3 1 1 2 3 2 2 2 2 3 11 8 6 5 2 4 6 1 2 3 5 2 2 3 4 2 2 2 2 1 2 3 3 4 14 45 100 40 2 4 2 0 3 6 5 8 11 13 8 6 11 8 6 4 6 6 11 3 4 4 1 1 2 2 1 1 2 2 1 2 4 6 3 3 7 8 6 8 5 4 12 54 13 3 1 3 5 20 28 5 5 3 5 27 19 10 3 12 9 6 6 9 29 40 19 5 4 7 7 16 44 25 11 5 5 3 3 2 2 2 2 2 2 3 3 8 2 2 3 54 33 3 3 7 5 3 3 8 6 1 3 5 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 4 4 3 2 2 2 1 2 3 2 2 3 3 4 12 20 13 32 26 23 30 8 3 3 4 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 77 76 m 2H | 72 71 d 1H J 66 | 67 67 hept 1H J 10 | 43 42 q 2H J 71 | 15 15 d 5H J 10 | 13 13 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/C=C/C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1
ir: 4 4 2 4 2 2 1 1 3 2 0 1 3 2 3 2 1 1 2 2 3 3 1 1 1 1 3 2 0 1 1 2 3 2 1 2 1 2 2 1 1 1 1 0 1 1 2 9 3 2 2 1 1 2 10 3 1 2 1 1 3 3 4 1 1 1 3 6 5 5 6 4 1 3 3 2 4 20 14 10 14 7 13 6 7 15 48 21 6 7 7 9 3 5 6 6 3 1 5 2 2 3 1 2 2 2 2 1 2 3 3 3 2 2 2 1 2 2 4 1 4 2 3 7 5 5 5 3 2 3 2 1 2 2 4 3 1 1 1 1 4 2 0 2 1 0 0 1 1 3 5 1 1 1 1 10 1 0 0 1 1 2 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 2 1 1 1 2 2 3 3 6 3 2 6 3 5 5 22 11 67 20 7 5 2 2 1 19 100 21 5 3 0 1 1 1 0 1 1 1 1 1 3 1 1 2 2 2 2 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 71 71 m 3H | 71 70 ddt 1H J 9 21 80 | 69 69 m 1H | 65 64 m 1H | 64 64 m 1H | 60 59 m 1H | 51 51 m 1H | 47 47 ddd 4H J 9 16 59 | 38 38 t 1H J 59 | 30 29 t 1H J 59 | 27 26 qt 2H J 12 71 | 24 24 s 1H | 18 17 dqd 2H J 8 72 132 | 15 14 m 2H | 11 10 t 3H J 71 | 9 9 t 6H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCOc1ccc(Cl)c(C)c1
ir: 6 4 1 9 9 7 1 4 6 3 0 4 9 3 4 6 5 2 2 4 5 1 0 3 4 1 1 4 4 1 2 6 5 3 2 6 7 4 7 11 12 2 3 5 3 1 3 5 3 0 7 20 58 27 44 46 7 5 7 8 7 9 18 16 28 11 19 32 15 36 20 12 26 9 4 10 3 3 5 3 3 2 4 5 3 3 9 4 2 3 7 4 14 13 19 10 6 3 5 4 3 4 8 10 8 13 14 19 14 11 10 10 3 6 10 5 12 6 9 10 9 9 12 4 1 5 5 3 5 5 8 3 1 4 4 2 1 4 4 5 52 18 3 2 2 3 4 14 42 32 13 12 24 11 40 2 2 4 3 4 7 9 4 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 1 0 3 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 4 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 4 6 10 10 6 9 8 8 9 7 8 10 9 13 13 32 44 38 100 73 54 13 8 8 8 2 2 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 2 3 2 0 2 3 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 0; 1HNMR: 72 71 d 1H J 89 | 67 67 d 1H J 21 | 67 66 dd 1H J 21 89 | 40 40 t 2H J 63 | 23 23 s 2H | 18 17 m 2H | 15 14 m 2H | 14 12 m 5H | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OCC2CC(Cn3ccnc3)(c3cccs3)N(C)O2)cc1
ir: 2 2 3 4 3 3 12 7 6 17 13 18 10 6 2 6 6 7 7 10 0 4 3 3 1 2 1 1 3 15 35 7 4 8 8 5 14 6 2 2 13 11 3 5 6 3 2 2 3 5 8 14 94 25 34 23 17 9 12 17 9 3 27 9 22 20 18 21 6 9 3 2 4 9 11 11 11 5 2 1 1 3 5 8 6 5 7 21 9 6 10 23 9 6 9 4 6 4 12 10 14 9 10 19 5 9 13 15 7 7 3 4 8 33 11 6 7 6 7 13 5 11 32 13 13 15 22 31 7 17 3 5 5 10 12 15 65 7 4 2 2 1 0 2 2 0 2 16 23 8 12 5 12 7 4 4 7 7 1 1 1 0 0 1 1 0 1 3 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 0 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 1 1 1 1 1 1 1 2 1 1 3 6 4 2 7 5 11 4 7 5 5 11 18 13 51 51 43 32 98 100 32 10 6 4 5 4 2 2 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 tt 1H J 9 17 | 73 73 dd 1H J 17 39 | 72 71 ddt 1H J 9 18 26 | 70 70 m 2H | 69 68 m 6H | 45 45 dt 1H J 9 124 | 44 43 tt 1H J 25 33 | 43 42 m 2H | 41 40 dd 1H J 34 120 | 38 38 s 2H | 30 29 dd 1H J 26 123 | 27 27 dd 1H J 26 123 | 26 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
ir: 2 2 3 4 2 3 2 3 3 3 2 2 2 1 1 1 2 2 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 2 12 26 3 0 3 5 12 100 11 3 2 3 1 1 2 2 1 2 3 4 1 1 2 2 2 4 2 5 7 2 2 1 1 1 2 2 2 1 1 2 2 1 2 3 6 3 3 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 3 5 1 1 1 1 1 2 2 4 1 2 2 2 3 2 1 1 1 2 1 2 3 2 1 1 4 17 8 15 7 2 2 1 2 4 21 26 2 2 4 4 3 33 3 2 4 1 3 1 8 43 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 8 18 20 9 4 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 3 10 21 4 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; 1HNMR: 81 80 d 1H J 101 | 74 73 dd 1H J 50 85 | 73 72 m 1H | 72 70 m 4H | 67 67 d 1H J 103 | 58 57 q 1H J 48 | 30 30 d 3H J 47 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(c1cccc(-c2cccc(F)c2)n1)c1ccnc(S(C)=O)n1
ir: 1 1 1 3 1 3 4 1 0 2 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 2 2 3 1 3 3 5 3 10 8 14 18 10 2 1 1 2 3 4 8 38 45 13 3 1 2 2 3 1 1 1 1 1 1 1 1 1 0 5 3 7 6 3 2 2 3 3 2 4 3 3 2 2 3 5 5 6 7 3 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 2 7 7 4 2 1 1 2 0 2 3 3 4 3 2 2 1 1 2 1 1 1 1 1 1 3 6 4 10 15 2 3 3 16 3 4 5 24 11 18 6 4 7 8 4 6 6 7 7 4 15 20 15 3 3 0 3 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 4 3 6 2 11 35 100 8 1 0 1 3 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 d 1H J 42 | 77 77 ddd 1H J 11 22 82 | 77 76 dd 1H J 11 77 | 75 74 m 2H | 74 74 dt 1H J 22 121 | 72 71 dddd 1H J 11 22 77 99 | 71 70 m 2H | 37 36 s 3H | 30 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)cc2n1
ir: 4 3 2 5 4 3 3 3 4 4 3 5 9 12 7 11 6 6 4 4 3 3 4 3 4 10 7 10 11 4 4 3 4 5 6 4 9 6 3 3 3 4 3 3 3 7 7 12 56 11 15 51 44 5 5 9 4 0 3 7 4 10 5 4 5 8 23 28 21 10 5 5 11 7 5 7 5 5 3 4 10 6 4 20 63 7 4 4 2 2 3 3 2 2 3 3 2 4 9 3 2 3 3 3 6 5 4 5 5 6 5 4 3 4 4 5 8 9 10 7 5 4 5 4 4 4 6 5 5 7 6 6 3 7 5 2 2 6 4 7 5 2 4 44 2 4 5 3 9 5 4 1 2 5 5 2 2 100 28 12 10 32 26 8 11 30 3 3 3 3 2 3 3 2 3 3 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 2 2 2 2 3 2 2 2 3 3 3 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 4 6 8 5 10 10 11 16 14 5 5 5 6 30 12 6 3 3 3 3 3 3 3 3 3 3 4 4 10 34 36 16 8 5 5 3 4 3 3 2 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 76 76 s 1H | 72 72 s 2H | 64 64 s 1H | 60 60 s 1H | 40 40 s 3H | 39 39 s 3H | 22 22 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(F)C(=O)Nc2cc(Cl)ccc21
ir: 3 3 2 1 1 3 3 11 18 58 9 9 2 1 1 1 2 2 3 10 6 1 1 2 3 1 4 6 10 29 4 11 58 7 4 2 7 3 1 4 2 1 1 2 2 1 1 2 1 1 1 2 4 7 33 8 2 1 2 3 1 0 3 3 5 24 15 3 4 2 4 2 1 1 1 1 1 1 3 3 4 6 3 3 2 2 3 2 4 2 1 1 1 1 2 2 3 7 5 12 9 2 2 3 100 52 2 2 2 1 1 1 1 2 3 2 2 4 5 5 22 4 2 2 1 2 9 4 2 4 4 10 2 2 1 1 1 1 1 1 1 2 4 5 2 1 2 2 2 4 20 12 3 6 24 54 64 9 6 4 2 12 23 4 1 3 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 2 2 1 2 2 1 1 1 2 2 1 2 3 1 1 1 2 1 1 2 2 2 1 3 6 9 5 16 45 68 14 2 2 2 2 1 2 1 1 1 2 3 2 2 2 5 3 3 3 7 6 26 65 18 42 27 4 2 2 3 3 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 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 89 d 1H J 18 | 76 76 dd 1H J 33 76 | 73 73 d 1H J 22 | 72 71 dd 1H J 22 77 | 20 20 s 1H | 20 19 s 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCc1nn(CC)c2c(=O)[nH]c(C)nc12
ir: 5 5 5 4 3 5 7 5 5 6 5 8 10 8 8 7 7 6 5 5 5 9 11 9 11 13 6 8 7 6 6 6 6 14 13 31 57 11 5 7 7 4 5 8 8 15 32 74 42 10 6 4 5 6 6 4 5 7 9 10 6 5 5 5 7 6 8 7 10 13 12 8 8 7 7 4 5 5 4 4 4 4 4 4 4 5 10 9 6 4 4 4 7 5 5 5 23 20 4 4 5 5 4 5 5 5 5 4 5 5 4 7 9 8 14 10 8 9 8 9 8 6 7 6 6 6 5 6 6 7 8 8 7 6 6 8 15 22 42 51 19 8 7 4 3 7 15 86 76 6 5 6 19 10 4 6 4 4 5 4 7 20 100 29 8 0 4 8 5 2 4 6 4 2 4 6 4 3 4 6 4 3 4 5 4 3 4 5 4 3 4 5 4 3 5 5 4 3 5 5 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 6 4 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 4 4 5 4 4 5 4 4 4 5 4 4 4 5 5 4 4 5 4 4 5 7 6 4 5 6 6 7 8 6 6 6 7 8 8 12 14 8 6 4 5 5 5 4 5 5 4 3 4 6 4 4 5 5 5 4 6 8 5 4 9 19 32 39 36 10 8 7 7 9 7 4 4 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 45 44 q 2H J 53 | 30 30 t 2H J 55 | 25 25 s 3H | 19 18 qt 2H J 54 79 | 15 15 t 3H J 53 | 10 10 t 3H J 80
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCCOCc1ccc(Br)cc1
ir: 15 10 4 8 9 5 12 20 14 6 3 7 9 7 1 5 6 3 2 5 6 3 2 5 6 3 4 7 5 2 2 6 5 3 5 6 5 2 4 7 5 2 3 6 5 3 5 12 7 1 23 21 18 0 15 32 75 15 13 8 6 4 5 11 6 8 8 8 7 14 7 36 23 5 5 6 3 2 5 5 3 2 5 5 3 3 8 11 3 4 8 9 43 11 8 7 3 4 9 8 3 4 6 10 11 15 8 5 2 4 7 4 3 5 12 6 5 8 10 5 17 18 20 6 5 7 10 15 6 6 6 4 2 4 5 3 2 4 5 3 2 5 5 4 8 35 23 8 8 5 5 3 10 5 5 3 3 5 4 2 4 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 5 4 3 3 5 4 3 3 5 4 3 4 5 5 4 6 11 10 4 5 6 5 5 6 22 46 18 69 100 20 8 15 6 4 3 5 6 4 3 4 5 3 2 4 5 3 2 4 5 3 3 4 4 3 3 5 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 3 4 5 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2; 1HNMR: 75 75 m 2H | 73 72 dt 2H J 9 82 | 45 45 t 2H J 9 | 39 38 t 2H J 32 | 37 36 t 2H J 32
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CSC)c2)ncc1F
ir: 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 6 1 0 1 0 1 2 1 2 1 1 5 17 11 5 3 5 5 5 1 0 1 2 3 5 29 24 6 2 1 2 1 1 0 1 0 0 0 2 2 9 1 0 1 1 0 1 1 4 2 2 5 8 6 2 1 1 1 2 1 1 1 0 0 0 0 0 0 0 0 0 1 2 0 5 1 1 1 5 1 1 0 1 1 1 37 3 2 0 2 1 1 15 0 2 2 1 1 2 1 3 1 1 1 1 0 2 1 1 1 1 1 4 5 3 1 0 0 0 0 0 0 1 0 0 3 4 2 9 12 8 1 0 100 5 5 2 3 1 1 1 1 5 0 1 8 2 4 45 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 2 6 1 4 31 17 4 2 2 1 1 1 0 1 0 0 1 0 0 1 1 1 1 0 1 1 1 0 1 16 14 20 9 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 s 1H | 83 82 d 1H J 141 | 78 77 ddd 1H J 20 50 88 | 72 71 dt 1H J 22 123 | 71 70 ddd 1H J 21 87 101 | 70 69 td 1H J 11 22 | 68 67 dtt 1H J 9 21 122 | 67 66 dd 1H J 22 121 | 42 41 q 2H J 63 | 39 39 t 2H J 9 | 21 21 s 2H | 14 13 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCNCCC1c2cc(C)c(C)cc2C(=O)N1c1cccnc1
ir: 6 4 3 26 20 5 0 4 5 4 1 4 6 7 1 4 6 3 3 4 5 3 2 6 7 3 3 5 8 3 4 9 42 18 8 13 8 2 5 14 33 20 7 21 18 5 8 9 8 7 5 11 5 1 3 6 6 1 7 8 4 2 20 15 13 16 9 8 6 27 18 29 9 5 8 6 8 11 6 8 3 1 7 9 2 1 4 11 4 2 6 5 4 10 36 12 4 5 5 13 2 3 6 4 3 6 9 34 40 23 16 17 100 18 13 12 6 8 10 8 3 5 8 5 6 6 5 16 13 9 14 10 4 33 10 10 43 14 15 27 22 8 5 1 2 11 12 3 2 4 4 6 9 35 28 12 3 6 4 3 6 5 7 1 2 5 3 0 2 5 2 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 1 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 4 4 1 2 4 3 1 2 5 4 2 4 5 4 1 4 7 4 3 3 7 4 2 6 11 12 11 27 68 27 3 7 18 6 6 4 5 3 2 3 5 2 2 5 7 8 11 57 29 13 6 5 5 2 2 4 3 1 2 4 4 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 1 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1; 1HNMR: 85 85 t 1H J 16 | 84 84 ddd 1H J 14 21 42 | 78 78 d 1H J 7 | 76 76 dt 1H J 19 75 | 74 74 dd 1H J 42 76 | 74 73 s 1H | 49 48 m 1H | 34 34 p 1H J 47 | 31 30 m 1H | 30 29 dtd 1H J 49 56 135 | 28 27 m 2H | 23 23 s 3H | 23 22 m 1H | 22 22 s 3H | 21 20 dq 1H J 58 134 | 15 14 qt 2H J 51 73 | 9 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOCC1(O)CCNCC1
ir: 33 7 5 3 3 5 2 4 2 1 3 1 1 2 4 5 7 3 3 2 0 1 2 2 1 3 3 5 2 9 8 7 2 4 2 4 3 3 5 3 3 2 2 1 4 2 4 9 21 32 15 4 2 1 2 2 2 1 2 3 2 2 3 3 2 4 2 4 4 26 2 2 2 11 7 3 20 12 2 2 1 1 1 2 2 2 1 2 3 3 12 13 10 4 2 3 3 3 3 1 4 2 3 2 2 2 1 3 3 4 12 15 6 6 4 28 7 6 9 4 2 2 4 2 3 2 4 9 20 10 6 2 1 2 2 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 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 0 1 1 8 9 3 1 1 1 1 1 0 1 1 4 100 4 1 1 0 1 1 1 1 3 2 21 12 2 2 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 51 50 p 1H J 38 | 36 35 d 1H J 57 | 35 35 d 3H J 126 | 30 30 dddd 2H J 27 37 55 137 | 28 28 dddd 2H J 29 38 57 137 | 27 26 s 1H | 20 19 ddd 2H J 29 56 143 | 17 16 ddd 2H J 29 56 143 | 13 13 t 3H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2)c(C(=O)OC)c1
ir: 4 4 2 3 3 3 5 5 2 3 3 5 3 6 5 5 3 2 2 3 3 5 3 3 3 3 6 7 5 2 11 12 17 4 4 6 5 10 5 18 13 34 20 7 7 5 6 7 5 7 4 2 4 6 27 10 11 2 5 4 4 1 3 12 6 3 12 15 19 15 6 3 5 7 8 6 6 6 5 4 2 6 2 5 3 3 4 7 12 3 3 3 3 3 8 5 9 6 5 4 3 2 3 3 4 7 18 11 17 26 38 7 3 4 20 6 13 17 30 27 30 18 21 8 10 14 18 26 4 4 7 6 9 19 22 14 6 13 9 18 19 21 29 17 5 8 5 5 8 23 12 7 2 2 3 2 1 2 1 1 1 2 1 1 2 6 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 3 2 4 8 8 4 5 4 10 10 6 12 12 10 7 11 27 15 61 73 24 100 66 25 8 14 11 0 2 4 2 7 3 3 1 0 1 2 1 0 1 2 0 0 2 2 0 0 2 1 0 0 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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; 1HNMR: 99 99 s 1H | 80 79 dt 1H J 9 21 | 79 79 d 1H J 76 | 75 74 m 2H | 74 73 m 3H | 72 72 ddt 1H J 9 21 75 | 54 54 t 2H J 9 | 39 39 s 2H | 27 26 t 2H J 70 | 17 16 p 2H J 68 | 15 14 m 2H | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCn1c(C(=O)c2cc(C)cc(CCC#N)c2)c(C(C)C)c(=O)[nH]c1=O
ir: 3 5 5 3 4 6 6 5 4 4 5 4 3 6 6 5 2 5 6 4 2 4 4 3 3 4 5 3 4 5 7 5 8 9 6 10 14 16 25 14 11 8 6 6 3 7 5 2 7 10 6 5 10 26 58 33 20 8 5 7 6 8 11 6 7 8 5 4 7 6 5 4 6 5 4 2 4 4 3 2 4 5 3 2 5 8 3 3 4 4 2 2 6 7 9 8 6 7 10 5 7 4 2 3 6 4 3 4 7 5 3 6 6 7 5 10 8 11 5 8 18 17 9 14 10 6 4 10 21 14 12 14 12 8 6 8 4 4 2 5 4 3 7 6 7 4 7 19 10 4 4 6 13 4 4 6 17 3 3 6 9 6 12 47 100 0 3 5 3 1 3 4 3 2 3 4 3 2 3 8 4 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 3 5 5 4 4 5 5 4 4 6 6 4 4 6 7 13 10 17 18 28 10 14 7 6 5 4 3 3 3 4 3 3 3 4 4 2 4 4 3 4 4 4 4 21 83 10 3 5 4 4 2 2 4 3 3 3 4 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4; 1HNMR: 95 95 s 1H | 77 77 t 1H J 23 | 76 76 tt 1H J 8 20 | 71 71 td 1H J 11 21 | 39 38 t 2H J 71 | 30 29 m 3H | 28 27 t 2H J 57 | 23 23 s 3H | 17 16 p 2H J 70 | 14 13 h 2H J 73 | 12 11 d 6H J 70 | 9 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(cc1OC)C(c1ccc(I)cc1)=NN(C)C(=O)C2
ir: 8 6 2 2 1 1 1 1 1 2 1 6 3 14 5 5 1 5 4 5 2 2 2 5 6 1 4 2 5 2 4 1 1 2 3 2 4 6 3 2 2 1 2 2 1 2 1 1 1 1 1 1 1 1 2 46 2 2 5 2 1 2 1 1 1 1 2 8 9 20 5 1 4 12 3 1 1 1 1 1 1 1 1 1 2 3 2 0 1 1 2 2 3 1 1 1 6 1 1 1 1 1 1 1 2 1 1 2 5 5 1 2 1 2 1 9 4 5 4 3 2 5 15 19 16 5 8 8 22 2 1 2 6 1 1 1 1 1 1 2 1 7 17 66 6 1 4 1 11 5 3 39 11 1 4 5 1 1 1 1 1 1 1 3 2 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 3 3 3 1 1 1 1 4 3 5 6 5 29 100 7 7 3 5 2 2 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 78 78 m 2H | 78 77 m 2H | 70 69 t 1H J 9 | 68 68 s 1H | 40 40 d 2H J 7 | 39 38 d 6H J 57 | 36 36 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(Cn2cc(C)cn2)cc1
ir: 6 7 13 8 7 7 4 6 9 13 19 11 14 25 6 3 3 9 7 2 1 1 1 1 1 1 1 2 2 13 13 3 1 2 1 2 1 1 5 4 1 1 1 1 1 1 2 3 2 1 2 4 4 3 6 18 21 5 18 3 7 7 4 3 4 5 8 14 10 8 8 3 3 4 2 6 2 2 13 2 2 2 1 1 1 2 2 3 5 18 19 21 5 2 2 1 2 3 7 16 8 3 1 1 2 2 1 1 1 1 1 1 2 3 1 54 6 4 5 8 4 4 30 13 12 18 12 10 18 4 1 2 2 3 5 2 1 2 1 1 1 5 35 77 31 5 3 3 13 17 40 24 11 0 1 3 2 0 1 2 1 0 4 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 2 2 2 2 4 9 15 11 88 100 21 17 13 11 13 11 3 1 2 2 1 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H | 74 73 m 3H | 72 72 d 1H J 11 | 54 53 q 2H J 9 | 39 39 s 3H | 23 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCN
ir: 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 2 2 4 3 3 2 5 5 7 5 3 7 18 13 13 20 9 6 6 4 6 11 4 3 2 5 2 5 3 3 4 8 2 7 18 33 83 24 10 4 4 1 4 7 22 3 4 2 1 0 1 2 1 1 0 1 2 1 2 1 1 1 1 1 1 1 2 2 5 13 5 6 6 12 2 4 2 2 4 3 2 4 14 4 4 1 4 8 3 3 7 12 10 14 20 13 79 46 9 10 7 4 1 1 2 2 2 2 3 2 1 0 1 1 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 0 0 1 0 0 1 2 2 1 2 6 5 4 3 4 1 2 3 3 4 5 26 5 4 2 1 1 1 0 1 2 1 0 2 4 6 3 7 41 36 17 9 7 9 6 5 84 100 15 14 5 3 3 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 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; 1HNMR: 27 26 tt 2H J 52 65 | 19 18 tt 2H J 52 74 | 16 15 t 2H J 65 | 15 14 p 2H J 72 | 13 12 m 20H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(Br)c1NC(=O)c1cccc(-c2ccc(F)cc2)c1
ir: 11 6 14 8 15 10 4 14 7 16 9 5 5 7 9 4 6 4 8 6 10 12 7 2 2 3 5 4 7 11 19 16 23 27 11 5 3 3 2 2 2 3 3 2 8 12 7 48 100 14 1 4 3 2 16 69 66 8 3 2 4 6 12 3 2 1 1 2 18 30 15 26 7 2 2 6 2 3 4 3 10 4 2 1 3 8 23 21 7 5 13 14 5 2 0 1 2 2 2 2 2 4 2 1 1 1 1 1 1 1 5 8 7 7 10 4 9 6 7 3 24 8 13 8 3 10 8 15 3 5 5 9 3 12 16 42 58 55 23 8 10 8 10 7 8 8 62 34 7 7 5 16 18 12 28 5 3 6 2 2 1 0 1 3 2 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 1 1 1 1 3 4 6 2 1 2 2 2 2 3 4 6 29 20 7 11 36 27 92 97 76 24 11 6 3 3 2 1 2 2 1 1 1 1 2 1 2 3 2 2 6 10 22 17 20 15 4 3 4 2 2 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 96 96 s 1H | 82 82 t 1H J 21 | 79 78 ddd 1H J 15 22 79 | 77 76 m 2H | 75 75 m 2H | 75 74 s 1H | 72 71 m 2H | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)CCOC(=O)C(C)c1ccc2c(=O)c3ccccc3ccc2c1
ir: 0 6 5 3 3 5 8 9 21 6 5 6 1 3 5 8 6 3 5 2 1 1 2 2 2 3 13 6 9 42 17 4 3 9 8 8 5 13 3 3 10 29 50 18 6 4 3 1 1 2 2 1 2 6 10 7 2 3 2 3 6 5 2 4 3 3 5 1 9 13 5 5 6 8 4 6 4 3 2 2 4 7 2 2 5 1 1 3 4 2 2 9 16 6 4 4 10 11 5 4 9 4 8 15 25 35 10 7 5 8 13 8 15 5 19 10 8 8 8 8 37 17 6 6 9 4 4 10 8 7 4 3 16 44 23 5 4 5 6 4 3 2 3 11 29 31 6 8 9 7 5 8 8 4 2 9 16 8 3 2 2 16 2 2 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 2 1 1 1 1 1 2 2 2 2 2 3 2 2 2 2 6 12 7 6 21 23 19 36 100 86 20 11 4 3 3 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 79 m 2H | 78 77 m 1H | 77 76 m 2H | 76 75 td 1H J 14 79 | 75 74 td 1H J 15 79 | 74 74 m 2H | 42 41 m 2H | 38 37 m 1H | 18 17 dp 1H J 66 132 | 16 15 q 2H J 68 | 15 14 d 3H J 75 | 9 9 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cc(O)c(F)c(C(O)c2nc(Br)c[nH]2)c1
ir: 2 2 4 5 3 3 7 6 2 3 3 5 4 4 3 3 3 2 2 7 3 3 2 3 6 5 3 2 3 5 5 4 3 5 6 3 17 31 15 20 12 6 3 13 9 6 4 8 6 2 2 4 2 0 2 4 3 1 3 5 6 1 6 5 4 0 32 39 9 7 8 5 12 17 3 3 2 2 4 13 10 37 47 16 4 8 53 30 42 43 33 18 26 10 6 4 6 40 72 6 3 4 14 23 28 27 10 5 8 5 15 18 5 13 21 22 9 5 6 6 6 4 3 3 7 7 13 10 6 3 8 18 14 13 17 10 11 19 9 11 10 12 4 5 4 3 4 5 2 2 3 2 2 2 2 3 6 3 2 3 7 23 5 3 2 2 2 2 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 2 1 2 2 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 3 3 3 4 7 5 4 5 3 5 7 6 5 7 10 5 9 33 34 20 31 28 30 20 16 10 7 9 14 100 62 75 25 8 5 1 3 3 2 1 3 3 2 2 3 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1; 1HNMR: 77 77 d 1H J 48 | 76 76 ddd 1H J 10 21 32 | 66 66 ddt 1H J 9 20 32 | 62 62 dd 1H J 33 40 | 62 61 d 1H J 46 | 46 46 d 1H J 40 | 26 26 dddd 2H J 9 62 72 80 | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CNC(=O)OC(C)(C)C)OS(C)(=O)=O
ir: 6 13 7 5 5 5 3 2 2 6 7 4 3 3 2 1 2 2 0 1 1 1 1 2 6 3 10 23 26 15 19 31 11 9 13 4 5 4 1 1 1 0 0 2 4 1 1 1 1 1 1 6 4 5 3 2 4 6 9 7 2 2 3 1 1 1 1 1 4 5 16 20 18 31 8 2 2 4 0 7 5 1 1 1 1 2 1 3 100 3 1 1 0 1 2 3 5 4 2 7 9 23 10 5 2 4 10 10 8 2 3 1 0 1 4 1 1 2 5 9 7 28 14 8 3 4 2 4 2 7 6 6 2 1 1 0 0 1 1 1 1 5 9 15 14 19 21 6 7 89 12 4 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 3 2 0 0 1 1 1 0 1 1 2 8 2 9 34 15 6 2 1 1 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 1 2 4 4 15 44 17 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 56 55 t 1H J 63 | 52 52 t 1H J 56 | 43 41 m 2H | 39 39 ddd 1H J 56 63 128 | 35 35 ddd 1H J 56 63 128 | 31 31 s 3H | 14 14 s 8H | 11 10 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C(N)(C(=O)OCc2ccccc2)N=C(c2ccccc2F)c2cc(Br)ccc21
ir: 1 2 5 2 5 2 2 8 0 5 3 6 5 4 2 2 3 5 1 3 3 3 2 4 3 3 1 1 2 2 3 4 3 3 1 3 5 14 6 5 15 5 39 13 4 3 1 2 1 0 2 3 5 4 12 8 4 2 4 5 2 4 3 3 4 7 14 5 26 8 5 4 3 2 2 3 5 3 2 5 10 12 11 13 8 7 5 20 5 6 2 3 3 10 10 4 3 4 3 5 10 3 2 1 0 1 1 1 4 1 1 1 0 1 2 2 1 1 3 4 1 3 4 5 10 5 17 47 17 13 12 6 4 3 6 8 4 10 5 1 1 6 10 4 4 9 8 2 45 24 4 2 4 4 5 1 1 1 1 2 2 2 3 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 7 13 100 15 10 4 4 1 4 3 1 1 2 9 5 7 4 2 6 5 24 11 4 4 23 39 3 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 d 1H J 25 | 76 75 m 3H | 74 72 m 9H | 52 51 m 2H | 36 36 s 2H | 29 28 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(CCCCl)Nc1ccc(Br)cc1
ir: 1 3 5 13 6 9 5 4 5 9 3 6 4 2 2 1 0 1 2 1 1 1 1 1 1 1 2 2 2 2 4 3 2 4 3 3 3 10 5 2 6 9 6 5 4 2 3 4 2 2 1 2 4 6 11 6 14 16 11 4 2 2 1 1 1 1 1 3 11 19 21 2 1 2 0 1 3 2 1 0 1 2 1 1 3 24 22 11 9 4 2 5 3 2 4 17 5 5 4 4 59 26 8 3 4 2 3 6 3 1 1 1 1 1 1 3 5 4 6 6 5 2 0 5 1 3 5 12 9 5 3 3 3 1 1 1 1 0 0 1 1 0 1 1 1 2 5 27 8 4 1 5 10 2 1 1 1 1 1 1 1 12 1 1 1 0 0 1 0 0 1 1 0 0 1 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 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 0 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 2 3 3 1 1 1 1 1 3 3 13 1 18 38 14 7 3 3 3 2 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 2 2 11 100 4 3 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 s 1H | 74 74 m 2H | 72 71 m 2H | 37 37 t 2H J 44 | 32 31 t 2H J 91 | 22 22 tt 2H J 44 89
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(Cl)c2c(c1C)C(C)(C)CS2(=O)=O
ir: 15 9 5 11 26 18 6 9 12 8 18 8 20 11 38 7 7 3 1 6 7 1 1 3 5 6 6 4 3 2 2 4 3 2 2 3 2 2 2 5 4 2 2 6 26 5 5 6 3 0 4 6 2 1 2 4 2 0 2 7 6 0 7 50 19 5 3 32 44 4 6 8 9 6 6 22 6 3 2 3 7 25 12 5 37 53 17 24 1 2 8 10 1 2 3 3 0 2 6 17 12 5 6 6 11 14 10 7 12 7 9 4 2 8 12 5 9 32 17 8 14 5 16 6 3 7 17 13 4 19 8 6 6 15 7 4 4 8 7 10 1 6 8 1 45 100 3 11 6 2 3 4 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 4 4 10 5 2 3 12 4 4 3 3 4 5 11 26 75 22 15 30 9 5 3 4 2 2 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 79 79 s 1H | 44 43 q 2H J 64 | 36 36 s 2H | 26 26 s 3H | 15 14 s 5H | 14 14 t 4H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2c(s1)C(=O)CCC2
ir: 1 1 3 4 0 2 2 1 1 5 8 8 10 2 3 2 2 2 3 1 1 2 2 1 1 2 8 4 1 2 2 1 8 17 19 12 2 3 3 1 1 2 2 1 2 3 57 62 3 3 2 3 8 3 19 18 2 3 1 0 2 3 2 6 5 4 4 35 14 2 5 5 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 6 5 4 1 2 2 1 1 3 3 6 8 3 2 1 2 3 2 3 8 25 28 5 4 5 8 8 6 7 13 24 9 11 5 4 5 3 1 0 3 8 1 1 11 10 4 4 5 45 19 2 4 3 3 0 5 7 7 18 100 39 3 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 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 2 3 4 4 3 6 4 3 5 4 5 6 4 7 7 46 60 8 3 11 4 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 29 28 m 4H | 28 28 s 2H | 21 20 dddd 2H J 50 62 76 88
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N[C@@H](C)COc1ccc2nc(-c3ccc(OCc4ccccc4)c(F)c3)oc2c1F
ir: 4 4 2 2 2 2 2 6 10 4 14 10 7 10 2 4 5 2 1 4 12 18 8 6 9 4 2 4 5 18 41 18 7 12 8 10 6 8 5 20 100 8 6 6 4 2 2 2 3 1 1 3 3 3 13 36 19 3 4 4 2 1 2 4 4 20 5 10 31 17 18 3 3 3 3 6 3 4 6 6 2 1 3 2 1 1 3 4 10 14 4 2 1 1 3 3 8 5 3 2 1 2 3 2 2 2 4 5 2 10 7 6 4 4 1 3 1 8 13 9 3 3 8 5 5 3 10 50 9 4 12 9 4 4 7 22 11 5 4 18 13 17 25 30 28 65 38 22 9 3 6 17 5 5 10 1 1 2 2 0 2 7 1 2 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 2 1 1 1 2 1 1 3 3 2 0 2 4 3 1 2 3 3 3 6 13 13 19 11 52 55 24 6 5 4 3 3 2 2 2 2 2 1 1 1 1 1 1 2 4 4 23 20 17 13 9 4 3 1 2 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 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: 76 76 dd 1H J 21 96 | 75 74 m 2H | 74 73 m 5H | 71 71 dd 1H J 47 97 | 71 70 dd 1H J 48 92 | 67 67 d 1H J 85 | 51 51 t 2H J 8 | 42 41 dd 1H J 40 117 | 40 39 m 2H | 20 19 s 2H | 12 12 d 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(O)cc1)c1c(Cc2ccc(Cl)cc2)oc2ccccc12
ir: 0 3 4 2 4 5 3 5 1 2 3 2 10 2 2 3 2 2 3 6 2 1 3 1 1 2 2 5 1 2 1 1 1 1 2 1 3 2 2 2 2 2 5 11 24 12 3 5 3 3 4 4 10 21 9 15 26 13 4 3 2 2 2 1 2 2 1 0 2 8 5 2 2 2 1 4 9 7 4 7 46 18 12 10 4 5 1 26 4 1 3 3 5 13 14 2 3 2 1 2 2 2 1 1 2 1 16 1 1 1 0 11 5 2 5 1 1 1 3 4 2 2 14 12 15 5 2 1 1 2 1 4 2 1 0 1 3 30 2 1 2 3 1 4 23 8 20 16 54 18 25 49 12 2 1 7 1 1 1 1 2 1 11 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 2 2 1 1 0 1 3 2 2 7 10 30 100 48 6 7 7 4 3 3 28 19 3 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 90 89 s 1H | 78 77 m 2H | 77 76 dd 1H J 15 92 | 76 75 dd 1H J 15 66 | 74 74 ddd 1H J 13 67 88 | 73 73 m 3H | 72 72 dt 2H J 9 81 | 70 69 m 2H | 41 41 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1
ir: 2 4 4 4 1 4 5 5 4 5 5 5 4 4 5 3 6 13 18 16 12 9 19 10 10 22 52 30 32 33 41 34 46 49 53 70 62 25 33 10 17 14 24 6 12 10 4 7 4 5 5 2 4 3 2 1 3 3 3 0 4 3 2 1 2 3 4 3 3 7 3 3 3 3 5 6 16 14 3 3 3 2 6 6 2 2 1 1 3 3 4 2 4 3 3 3 5 3 2 2 4 3 4 4 6 5 6 4 5 4 9 8 7 6 9 6 10 4 4 4 4 8 8 12 12 5 4 6 5 15 26 17 5 3 6 7 2 1 1 3 4 5 17 26 58 16 100 15 37 3 2 5 6 5 3 6 9 27 20 9 5 2 2 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 2 1 1 1 1 1 0 1 2 1 1 3 2 5 2 4 6 3 2 3 7 4 12 31 14 14 20 18 11 3 4 2 3 2 1 2 3 1 1 1 2 2 8 16 18 9 8 7 12 26 32 25 31 28 20 6 41 55 3 4 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 76 74 m 6H | 65 64 s 2H | 44 44 ddt 1H J 18 37 55 | 37 37 ddd 1H J 30 49 120 | 36 35 dddd 1H J 18 33 50 122 | 34 32 m 2H | 25 25 t 2H J 54 | 23 22 m 1H | 21 19 m 2H | 19 18 ddddd 1H J 18 33 51 69 179
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCCCc1nccc(C(F)(F)F)n1
ir: 8 10 4 3 2 3 4 4 9 5 8 5 3 3 4 2 24 9 13 11 5 3 2 3 7 24 0 4 4 23 15 4 13 5 4 6 7 44 36 14 7 3 4 5 4 15 24 3 4 5 6 8 6 4 4 3 3 3 3 3 3 3 3 3 12 21 12 3 6 5 4 13 25 31 30 10 3 3 3 3 3 3 3 3 3 3 3 3 3 5 4 17 25 5 4 5 5 7 36 34 12 5 3 3 4 4 4 6 19 17 6 8 53 35 10 17 38 21 12 6 13 25 11 13 9 6 3 3 3 3 4 4 13 9 3 11 48 23 56 5 6 2 7 61 19 10 7 25 33 15 12 3 4 4 3 1 100 30 3 5 3 2 3 4 3 2 3 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 3 3 3 4 3 8 8 8 8 4 6 8 2 49 2 6 27 25 20 18 12 11 8 9 5 7 16 5 4 3 3 2 3 3 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 2 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 92 91 d 1H J 35 | 78 77 dq 1H J 17 35 | 58 56 m 1H | 52 51 m 1H | 50 49 ddt 1H J 13 23 170 | 28 27 t 2H J 83 | 24 23 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C[C@H](O)C#CC#CC[C@H](O)[C@@H](O)CCCCCCC
ir: 4 2 2 2 4 3 3 3 2 2 0 2 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 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 3 1 3 2 1 1 2 1 1 2 1 2 1 2 6 5 13 11 7 12 12 10 2 1 3 4 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 3 2 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 3 4 4 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 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 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 1 2 3 2 2 3 4 3 0 4 9 4 4 5 4 4 3 3 7 5 9 32 100 32 18 3 3 2 3 3 4 2 4 3 2 3 1 2 2 1 2 1 1 1 1 1 1 1 0 1 0 1 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 61 60 ddd 1H J 61 108 161 | 55 54 m 1H | 54 54 dt 1H J 19 108 | 51 50 ddt 1H J 23 48 60 | 43 42 d 1H J 44 | 37 36 m 2H | 34 33 d 1H J 52 | 27 26 d 1H J 51 | 26 25 m 2H | 16 15 dtd 1H J 54 92 137 | 15 14 m 1H | 14 12 m 10H | 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(F)(F)F)cc(SC)c1C(=O)NC1CCCCC1NC1CCCC1
ir: 4 1 1 1 1 1 1 4 3 4 2 5 3 7 2 2 1 2 2 3 2 4 7 5 10 9 8 8 5 5 4 1 2 6 7 17 10 6 13 7 16 9 29 8 17 4 5 8 5 14 15 3 3 3 7 1 2 2 4 1 2 8 4 1 2 6 9 22 15 5 5 8 7 2 7 6 9 3 3 6 3 3 3 1 1 2 1 2 0 1 1 1 2 2 2 2 0 62 43 6 8 22 3 1 7 11 15 18 12 14 14 10 8 7 17 13 82 16 8 5 12 5 7 10 17 24 29 10 8 3 3 17 11 13 4 7 5 14 9 6 3 4 5 14 10 17 20 32 41 53 1 4 2 0 1 4 1 0 1 2 2 16 3 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 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 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 2 4 4 6 3 3 2 2 4 6 2 7 16 6 17 9 11 4 3 1 1 3 1 1 2 3 1 4 3 4 1 2 5 10 11 100 28 12 14 76 43 15 8 3 2 0 2 2 0 1 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0; 1HNMR: 75 75 dq 1H J 9 19 | 72 71 dq 1H J 9 19 | 68 67 d 1H J 71 | 39 39 s 3H | 38 37 ddt 1H J 42 53 73 | 30 29 ddt 1H J 46 53 77 | 29 28 tt 1H J 35 72 | 26 25 s 3H | 24 23 t 1H J 75 | 20 19 dddd 1H J 42 64 88 139 | 19 14 m 15H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cc(C2CCN(C3COC3)CC2)cc(Cl)n1
ir: 6 4 3 3 3 2 2 2 2 2 2 3 2 4 4 4 2 6 6 7 25 76 10 5 6 5 6 20 3 3 3 3 3 13 9 3 3 2 2 2 3 4 5 3 3 2 2 1 3 4 38 11 12 11 13 15 4 3 4 3 8 4 3 3 10 25 33 21 24 19 8 7 3 3 3 3 5 7 3 2 3 5 5 14 32 21 100 13 5 9 12 26 10 6 5 7 5 5 4 22 15 16 7 4 4 3 3 4 6 5 4 4 5 5 4 3 4 4 2 3 3 4 2 4 11 10 4 13 10 7 4 11 9 20 11 3 6 2 2 45 0 4 4 1 1 3 2 1 2 3 3 2 6 7 3 3 3 2 3 54 34 4 3 2 2 3 2 1 2 2 2 1 2 2 2 2 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 4 3 5 7 4 4 6 16 6 6 10 10 56 24 12 7 5 4 3 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 69 69 d 2H J 7 | 39 39 dd 2H J 40 91 | 37 36 dd 2H J 40 92 | 35 34 p 1H J 41 | 29 27 m 3H | 27 26 ddd 2H J 57 84 126 | 21 20 ddt 2H J 57 84 126 | 19 18 ddt 2H J 56 84 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc(NC(=O)c2cccs2)ccc1Sc1ccc(O)cc1
ir: 1 9 6 11 11 4 1 5 3 6 3 4 2 4 2 2 2 1 5 17 8 4 2 1 1 1 1 1 1 1 2 1 1 2 1 2 7 50 100 35 1 2 3 0 6 4 3 5 2 2 2 3 2 10 22 2 4 2 1 1 1 1 1 1 1 1 2 3 6 6 2 1 1 1 1 0 2 8 7 18 2 1 6 17 5 2 1 8 5 1 2 1 2 3 1 1 9 3 2 1 1 0 1 1 1 4 5 1 1 1 0 1 1 1 1 1 1 1 2 2 1 1 0 0 1 1 0 1 1 1 5 2 2 1 0 1 1 1 0 1 5 4 1 20 4 7 20 14 5 1 24 5 16 10 6 8 37 17 3 1 3 1 3 17 3 2 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 2 2 2 1 1 1 1 1 1 2 1 1 0 1 2 2 1 3 2 5 22 17 10 10 4 1 5 3 48 21 1 2 2 1 1 1 1 1 4 35 4 2 4 2 3 16 5 2 2 5 12 75 10 0 1 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 0 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 0 0 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 | 81 81 dd 1H J 17 54 | 77 76 dd 1H J 18 64 | 75 74 dd 1H J 22 82 | 73 73 m 2H | 73 72 m 2H | 72 71 m 2H | 68 68 m 2H | 46 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C=Cc2cc(C(=O)O)[nH]n2)ccc1O
ir: 3 9 12 27 24 12 3 2 2 4 2 2 2 2 1 2 3 1 2 7 6 3 4 27 18 20 11 2 2 2 2 1 1 1 1 2 2 2 1 1 1 2 2 2 2 2 1 2 2 4 4 27 31 9 10 3 2 1 2 4 1 1 2 2 3 3 3 3 4 3 2 2 2 3 4 6 5 18 23 23 5 5 2 2 2 4 5 5 2 1 2 2 2 3 24 3 2 16 3 2 1 2 2 2 1 1 2 3 2 2 2 2 0 7 25 1 2 1 1 2 2 2 2 2 2 3 5 3 2 2 2 3 3 9 5 4 3 3 9 17 3 2 3 12 10 9 24 2 6 6 5 3 1 2 4 2 2 2 2 1 1 9 3 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 2 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 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 3 7 5 6 21 17 8 3 5 2 0 7 22 100 45 2 1 2 2 1 1 2 2 1 1 1 2 1 2 2 3 23 10 4 5 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 s 1H | 72 71 m 4H | 71 71 s 1H | 70 69 dd 1H J 17 83 | 69 68 d 1H J 83 | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(O)c2ccc(CCCNC(=O)OC(C)(C)C)c(O)c2n1
ir: 5 6 4 3 4 4 2 2 3 4 7 4 3 4 3 10 5 9 14 9 22 10 7 2 9 11 91 18 6 3 2 2 4 10 2 6 1 4 3 1 1 1 1 2 4 1 1 1 1 2 2 8 12 4 2 1 3 6 1 2 2 4 2 11 1 1 3 3 39 2 1 0 1 1 1 2 1 1 3 11 100 4 10 6 3 32 23 17 23 35 8 4 3 1 2 1 2 2 2 4 2 5 2 2 1 1 2 7 5 5 4 4 6 1 1 1 1 2 3 3 2 3 7 2 2 3 32 25 6 9 7 11 22 6 1 2 5 7 4 2 2 2 2 6 9 9 9 5 10 37 10 3 1 1 2 1 1 0 1 1 0 22 1 2 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 3 4 16 3 3 26 9 3 1 1 1 1 9 59 11 4 1 0 1 2 0 0 1 1 1 0 1 2 6 7 22 5 1 0 1 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 81 s 1H | 77 77 d 1H J 91 | 71 70 s 1H | 70 70 dt 1H J 8 88 | 50 50 t 1H J 49 | 40 40 s 3H | 32 32 td 3H J 48 57 | 29 28 td 2H J 9 82 | 19 18 tt 3H J 56 82 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)c1ccccc1C(=O)NCCBr
ir: 4 9 6 5 0 4 4 4 1 5 8 5 8 6 7 11 14 16 9 9 11 14 11 8 11 24 18 5 11 12 16 34 31 50 38 50 43 45 53 100 42 50 92 33 8 6 8 2 3 5 2 1 2 5 3 1 3 6 4 1 3 6 4 0 3 4 3 2 4 6 2 1 3 5 6 8 5 3 4 5 3 4 4 5 14 4 1 2 4 3 2 2 4 3 3 3 4 3 2 2 3 3 1 4 5 9 4 5 6 3 3 11 13 6 8 10 10 5 1 5 6 9 14 12 7 7 3 4 4 2 1 3 4 4 11 22 31 16 3 5 7 3 7 17 19 41 33 15 5 1 2 18 12 4 5 8 15 21 72 64 27 5 6 5 3 1 2 3 2 1 2 4 2 0 2 3 2 0 2 3 2 0 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 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 2 0 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 4 6 6 3 4 3 1 3 4 3 10 9 6 9 39 14 14 3 2 2 4 2 1 2 3 2 2 4 6 3 3 5 40 35 8 8 11 29 20 23 13 7 6 13 65 52 61 10 4 2 2 3 2 1 2 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 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 79 78 m 2H | 77 76 m 1H | 76 75 m 2H | 71 71 s 2H | 38 38 dt 2H J 34 53 | 37 37 t 2H J 35
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N[C@H]1C[C@H](n2ccc3cccnc32)C1
ir: 2 0 0 1 1 1 1 1 1 5 6 3 1 1 1 1 1 1 0 1 0 1 1 1 1 1 1 2 2 1 8 13 8 12 14 2 3 8 11 15 15 8 1 0 1 1 1 1 4 7 8 6 13 11 34 49 9 4 11 47 65 100 36 3 5 2 1 1 1 3 3 4 6 1 1 2 3 4 3 2 2 4 1 7 7 4 5 9 9 2 1 1 2 3 1 2 2 2 3 3 10 7 4 10 4 13 5 4 12 2 1 1 1 1 0 1 1 1 0 1 1 1 1 1 5 3 6 5 8 23 24 41 12 8 18 7 13 10 11 33 6 3 4 2 1 1 1 2 10 10 3 4 3 3 12 12 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 2 1 2 4 3 2 4 2 9 3 13 8 8 4 5 2 1 0 1 2 1 4 26 20 26 10 2 3 7 9 6 19 25 5 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 dd 1H J 17 34 | 83 82 dt 1H J 16 69 | 74 74 dd 1H J 35 69 | 72 71 d 1H J 64 | 60 60 dd 1H J 14 65 | 44 43 m 1H | 32 31 dtdd 1H J 10 24 48 96 | 22 21 ddd 2H J 48 60 126 | 20 19 ddd 2H J 49 59 126 | 18 18 d 2H J 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(N)Nc1nc(-c2ccccc2)nc2[nH]c(COc3cccc(Cl)c3)cc12
ir: 18 19 2 8 6 5 10 11 8 6 7 6 5 5 9 12 37 13 4 5 33 8 5 3 6 13 2 4 3 2 45 2 3 7 3 1 5 9 15 60 100 16 8 5 13 14 11 14 8 2 3 12 4 3 5 14 15 7 4 3 3 1 2 3 6 1 18 21 18 20 6 11 13 5 6 35 9 7 3 11 6 10 20 31 25 11 11 9 9 16 3 2 2 2 3 3 11 19 4 5 5 1 2 1 1 2 2 2 5 4 4 9 10 6 12 14 3 3 7 5 11 7 15 9 18 24 60 40 25 32 11 13 11 3 21 5 5 6 50 38 51 7 7 17 11 9 3 5 4 9 74 31 11 23 22 24 69 3 5 55 16 9 3 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 2 2 2 3 4 3 10 8 22 21 33 15 6 3 4 5 5 6 6 5 4 4 3 5 6 8 10 7 20 14 22 61 29 71 82 52 11 8 9 6 4 3 3 3 2 1 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 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 84 83 m 2H | 76 75 m 3H | 73 72 t 1H J 80 | 72 71 t 1H J 9 | 71 70 ddd 1H J 12 22 80 | 69 69 t 1H J 21 | 69 68 ddd 1H J 12 21 81 | 65 65 d 1H J 60 | 51 50 d 2H J 7 | 46 45 dh 1H J 47 61 | 22 22 d 2H J 51 | 14 13 d 3H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(I)cccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
ir: 2 14 10 5 1 3 15 10 3 5 5 3 3 2 7 9 3 3 2 2 2 2 4 6 6 4 8 15 5 3 2 1 1 1 2 1 23 6 6 1 1 2 3 13 4 11 10 100 7 7 13 6 10 21 53 73 55 8 6 4 9 1 5 5 3 8 23 14 5 21 20 15 8 17 16 20 24 6 3 5 3 22 48 36 18 4 3 1 2 2 2 11 2 19 9 10 3 5 6 16 36 9 5 4 5 3 2 3 2 2 2 3 4 11 6 4 3 7 7 3 3 3 5 6 21 5 9 3 2 5 4 4 2 4 8 24 5 3 8 14 0 3 3 4 3 14 52 49 14 3 2 2 4 2 1 7 3 9 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 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 2 3 2 4 6 7 6 5 4 5 4 3 5 12 40 7 63 66 26 10 14 22 9 5 3 1 3 2 1 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 75 dd 1H J 15 72 | 74 73 m 2H | 73 73 dt 2H J 9 82 | 69 68 m 1H | 68 68 dd 1H J 15 79 | 43 43 m 1H | 42 41 q 2H J 62 | 41 40 m 2H | 39 38 ddd 1H J 32 59 103 | 37 37 m 2H | 37 36 dt 1H J 9 126 | 30 29 m 1H | 27 27 m 2H | 23 23 ddd 1H J 32 59 125 | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(-c2nc3cc(NN4CCOCC4)ccc3[nH]2)cc1N
ir: 8 5 7 12 14 4 3 3 6 11 8 27 15 3 8 4 4 4 6 3 6 2 12 2 2 4 5 9 50 13 5 4 4 6 6 2 5 3 3 3 2 2 2 2 2 3 2 4 2 3 6 2 2 2 10 5 2 2 3 1 2 2 2 3 2 4 3 11 22 4 2 3 4 11 4 1 2 2 3 1 2 2 1 3 9 2 1 2 2 2 1 2 5 2 2 2 2 2 1 2 5 2 3 4 6 53 2 2 2 2 1 2 2 2 2 2 4 2 1 3 2 5 2 4 3 2 1 4 4 2 3 2 2 1 1 2 2 2 5 6 3 2 5 3 4 1 16 2 2 4 16 6 4 13 38 10 3 8 32 8 5 2 2 3 4 2 2 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 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 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 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 2 1 2 2 2 2 5 3 9 3 10 3 3 3 2 4 2 2 2 2 2 2 2 2 2 2 2 25 15 4 4 5 6 9 28 39 4 10 11 100 95 10 0 1 3 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 2 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 dd 1H J 22 86 | 75 74 m 2H | 74 74 d 1H J 82 | 71 70 d 1H J 20 | 70 69 m 2H | 42 42 s 2H | 41 41 s 2H | 37 37 m 4H | 31 30 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#CCOc1ccc(SC(C(=O)NO)c2ccc(OCC)cc2)cc1
ir: 8 4 4 3 3 3 3 2 3 1 0 4 6 6 6 3 2 5 11 16 11 5 11 7 7 6 7 9 6 3 6 6 5 2 4 6 7 15 13 12 4 2 4 2 2 1 2 2 3 5 5 11 10 23 33 46 19 3 8 8 4 1 4 5 2 2 4 6 17 10 4 6 5 7 12 11 15 20 8 5 2 0 4 3 4 10 27 7 4 3 7 16 12 7 21 49 38 89 57 9 6 3 2 2 2 2 2 1 1 1 1 2 2 3 5 4 4 5 7 2 1 3 3 3 3 6 2 4 3 2 1 1 0 1 2 1 1 1 2 1 1 2 2 5 9 20 17 57 47 53 16 9 11 9 3 4 1 3 2 1 7 8 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 2 1 0 0 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 3 2 2 4 3 2 4 5 4 3 8 14 8 12 8 14 17 34 100 56 8 7 12 10 21 16 61 58 16 12 2 5 4 6 5 3 4 7 5 10 10 13 69 68 20 6 4 3 2 2 2 1 1 2 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 90 90 d 1H J 31 | 86 86 d 1H J 31 | 74 73 m 4H | 69 69 m 4H | 53 53 d 1H J 10 | 48 47 q 2H J 25 | 41 40 q 2H J 66 | 19 18 t 3H J 25 | 15 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(O)cn1
ir: 1 2 4 4 3 2 2 3 1 2 1 1 2 1 1 0 1 1 0 0 0 0 0 1 5 10 5 0 0 1 0 3 0 2 2 0 2 1 2 1 0 1 0 0 1 1 1 1 1 2 1 3 2 11 5 2 11 2 3 2 0 0 1 1 1 1 1 0 2 1 2 1 0 1 1 1 1 1 0 0 2 3 21 100 29 2 2 8 6 11 54 10 2 1 1 1 1 1 1 5 3 1 1 1 1 2 4 3 2 1 1 1 0 1 1 1 0 1 2 5 2 8 8 7 15 8 5 1 1 1 0 0 0 0 1 2 5 8 4 4 2 2 2 19 5 9 3 3 3 9 5 1 1 2 1 0 1 1 1 3 5 4 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 0 0 0 0 1 0 2 2 1 2 1 1 1 1 2 3 2 8 8 11 8 16 4 0 1 3 19 5 8 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; 1HNMR: 83 82 s 1H | 80 79 d 1H J 20 | 73 72 m 1H | 71 70 dd 1H J 20 86 | 37 37 d 5H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ncc(N)c(N)n1
ir: 3 4 10 3 9 9 8 5 4 4 3 2 2 3 4 5 2 10 4 8 13 8 6 4 3 3 3 2 3 3 2 2 2 2 2 2 2 2 2 4 10 7 14 11 4 7 3 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 1 4 2 2 1 1 1 2 2 1 1 4 5 1 1 1 1 1 1 1 2 8 4 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 2 2 2 1 1 1 1 2 3 3 3 6 8 4 1 2 1 1 1 2 1 2 10 9 3 3 2 4 6 11 9 9 3 3 55 100 8 3 19 23 3 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 2 2 1 1 3 18 21 7 2 3 2 6 6 35 9 1 11 43 14 4 0 1 3 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 s 1H | 60 60 m 3H | 44 44 s 2H | 30 30 d 3H J 48
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)NC(=O)c1nc(-c2ccccc2)c(-c2ccc(=O)n(Cc3ccccc3)n2)s1
ir: 0 1 0 1 1 1 1 1 0 1 1 0 1 0 1 1 1 1 1 1 0 1 2 2 1 1 2 1 1 2 5 6 2 3 12 5 6 4 5 5 6 12 2 1 1 1 1 1 0 1 0 1 1 1 1 0 3 7 17 3 2 1 0 1 0 1 2 1 1 3 1 1 0 1 1 1 1 1 2 1 0 1 1 2 1 0 0 0 1 4 1 1 2 1 1 0 1 1 2 1 0 0 0 0 1 1 1 1 0 1 1 1 1 2 3 4 3 1 1 2 1 1 3 1 2 3 2 2 1 2 2 0 1 1 1 6 1 1 1 1 0 3 9 4 3 20 11 100 3 11 2 1 2 1 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 0 0 0 0 0 0 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 2 3 3 16 11 18 3 1 1 1 1 1 0 0 0 0 0 0 1 0 1 1 1 0 1 0 2 5 3 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; 1HNMR: 82 82 d 1H J 84 | 78 77 d 1H J 86 | 76 76 m 2H | 75 74 m 2H | 74 74 ddt 3H J 14 65 71 | 73 72 m 3H | 69 69 d 1H J 84 | 53 52 t 2H J 9 | 41 40 dp 1H J 56 84 | 12 12 d 6H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1O
ir: 3 10 4 5 3 3 4 3 1 4 10 6 4 3 7 3 2 6 3 2 1 3 3 2 1 3 3 6 4 3 4 4 5 4 8 9 22 10 9 3 4 3 1 2 2 2 3 3 2 3 4 2 10 23 36 29 21 4 5 3 3 3 4 4 9 20 56 10 13 3 6 6 5 5 3 3 2 1 3 13 6 41 100 19 10 16 10 7 11 4 2 2 4 4 1 1 2 7 9 28 14 2 1 1 2 2 3 2 1 1 0 5 36 14 5 5 7 6 7 6 5 8 8 6 8 23 24 5 4 8 3 7 4 3 3 3 7 16 10 2 3 5 3 16 14 6 4 6 3 44 40 7 7 7 5 3 2 0 1 4 16 4 15 2 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 2 2 1 2 2 3 5 2 2 1 2 5 4 5 11 6 11 53 49 8 3 4 1 3 2 4 7 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 86 86 dq 1H J 12 24 | 82 82 ddt 1H J 13 31 69 | 73 73 d 1H J 69 | 69 68 m 2H | 66 66 s 1H | 64 63 d 1H J 20 | 42 41 q 2H J 65 | 29 28 tt 2H J 9 81 | 27 27 td 2H J 9 82 | 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.
Nc1cc(CO)ncn1
ir: 3 12 9 22 17 8 7 8 5 6 5 4 6 6 9 6 7 5 4 6 7 6 8 6 4 8 6 5 6 4 4 3 3 7 11 32 29 8 7 7 8 6 5 5 6 4 5 4 4 3 5 5 4 3 6 5 5 5 4 5 4 4 4 4 12 14 8 6 4 5 4 4 7 8 10 5 3 3 3 3 4 4 4 5 9 7 15 20 22 9 11 7 21 25 9 3 3 4 4 3 4 3 4 6 4 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 3 3 4 3 4 4 4 3 4 4 4 27 33 5 4 4 8 16 20 48 57 19 9 10 7 4 4 4 4 100 98 0 3 6 3 2 3 4 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 10 10 8 5 5 4 3 4 7 9 6 4 3 3 3 4 3 4 6 15 15 8 4 3 4 4 2 3 4 4 2 17 35 5 4 4 3 3 4 3 2 4 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3; 1HNMR: 85 85 d 1H J 14 | 63 62 dt 1H J 9 18 | 58 58 s 2H | 47 46 dd 2H J 9 57 | 36 35 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cc(Br)cc(F)c1F
ir: 2 3 1 3 3 3 1 2 3 3 6 2 3 3 1 7 11 3 6 7 5 4 2 2 3 1 4 6 5 2 2 4 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 2 1 2 0 1 1 0 1 1 1 1 1 2 2 5 29 20 5 3 2 4 3 3 3 2 2 4 3 2 1 1 0 1 1 3 4 1 0 1 1 0 1 1 1 0 16 2 4 10 19 24 10 6 3 3 2 4 6 4 3 2 2 2 5 1 3 2 3 3 6 11 7 6 14 6 6 4 7 3 3 2 2 2 1 3 11 2 0 0 1 1 0 1 8 100 9 3 0 1 1 1 0 0 1 1 1 0 1 3 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 1 1 1 1 2 1 3 3 3 3 2 2 3 3 3 5 4 5 4 5 17 11 17 7 7 15 2 2 2 1 2 2 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; 1HNMR: 72 72 ddd 1H J 22 33 121 | 71 70 dd 1H J 22 33 | 55 55 dd 1H J 25 63 | 54 54 ddd 1H J 25 62 87 | 53 52 ddt 1H J 26 54 68 | 52 51 ddd 1H J 25 68 82 | 34 33 dd 1H J 27 137 | 31 30 dd 1H J 55 139 | 21 20 d 6H J 42 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)N=C1OC(=O)c2ccccc21
ir: 0 5 8 4 0 5 8 5 6 6 11 16 36 12 7 4 10 38 17 5 1 6 7 3 2 6 7 2 2 6 6 2 3 7 6 1 3 7 6 2 3 8 8 10 4 8 5 1 3 8 5 1 4 8 4 0 4 8 4 0 4 8 4 0 4 8 4 4 7 8 3 1 5 8 4 2 6 7 3 2 6 7 4 4 10 7 2 2 6 6 2 2 7 6 1 3 7 5 1 3 7 5 1 3 7 5 1 4 9 7 3 7 10 7 2 11 18 35 10 11 9 4 1 5 8 5 2 6 9 5 4 8 9 5 6 12 16 10 5 20 5 3 3 6 6 5 100 66 5 3 4 6 6 4 4 8 6 3 3 6 5 3 6 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 5 6 3 1 5 6 3 2 5 6 3 2 5 6 2 2 6 6 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 5 2 3 6 5 2 3 6 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 8 5 6 12 12 7 26 27 14 6 3 6 8 4 2 5 6 4 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 1 4 6 4 2 4 6 4 2 4 6 3 2 5 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6; 1HNMR: 80 79 ddd 2H J 13 88 132 | 78 77 ddd 1H J 13 78 92 | 77 76 ddd 1H J 12 77 88 | 43 43 p 1H J 70 | 12 12 d 6H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1scc2c1N(C(=O)N1CC3CN(C)CC3C1)c1ccccc1NC2=O
ir: 1 2 1 1 2 2 2 2 2 2 2 3 2 2 4 1 5 4 1 3 1 0 1 1 1 7 11 1 1 2 2 1 1 1 1 2 19 6 5 18 9 18 9 3 41 100 3 3 12 2 1 2 1 1 1 1 1 1 2 2 4 2 2 1 3 5 1 1 2 3 4 1 3 4 4 3 2 9 7 2 13 3 2 3 2 1 2 3 1 1 3 1 6 7 11 27 3 3 3 3 4 13 18 4 11 3 2 2 1 1 0 1 2 2 3 2 2 3 8 7 4 6 2 2 3 19 8 2 3 24 6 2 1 1 3 2 1 3 25 6 18 4 6 1 3 22 16 4 4 14 2 3 1 1 27 26 15 54 3 0 2 23 1 1 2 1 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 2 1 1 2 1 2 2 4 9 5 7 6 6 33 24 8 12 9 4 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 5 4 19 75 26 6 2 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 99 98 s 1H | 80 80 s 1H | 76 75 dd 1H J 14 83 | 75 75 dd 1H J 14 75 | 73 72 td 1H J 13 80 | 72 71 td 1H J 14 76 | 37 37 m 2H | 35 34 m 2H | 29 28 m 2H | 25 25 m 2H | 25 24 s 3H | 23 23 s 3H | 22 22 dq 2H J 13 26
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC1CN(c2ncccn2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1
ir: 2 4 6 3 3 3 3 3 5 5 7 9 4 6 3 3 4 1 0 2 5 2 2 1 1 1 1 3 9 3 1 6 3 1 9 9 17 100 2 7 3 1 5 2 1 1 0 0 1 3 1 0 1 1 1 2 1 0 2 4 2 4 2 1 1 4 2 3 4 3 1 1 4 2 4 13 6 5 4 4 1 1 1 1 4 1 1 3 7 1 2 1 1 1 1 1 1 1 1 1 1 1 1 3 3 2 3 2 2 2 1 3 1 2 2 0 3 3 4 12 2 3 3 7 5 5 8 8 18 8 14 5 6 10 3 10 14 8 11 3 5 3 4 2 10 11 22 1 1 2 9 23 14 3 63 4 3 3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 3 1 1 1 1 2 2 8 3 4 3 3 12 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 2H J 44 | 65 65 t 1H J 45 | 41 40 s 2H | 40 39 m 2H | 38 37 m 4H | 35 35 dd 1H J 44 115 | 34 33 m 2H | 34 34 s 4H | 22 21 ddd 2H J 38 66 134 | 19 18 ddd 2H J 37 65 132 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)C(=C(C#N)S(=O)(=O)c1ccc(F)cc1)S(C)(=O)=O
ir: 5 15 9 6 2 4 5 10 31 9 4 4 10 7 10 13 7 10 2 3 2 4 1 2 2 2 2 4 1 2 2 1 38 16 2 4 5 3 3 4 5 5 2 2 4 3 1 2 2 2 2 3 3 9 12 16 28 42 3 4 3 9 12 3 6 24 16 3 9 8 5 3 67 32 5 4 2 1 4 4 16 7 15 29 32 100 14 4 13 5 0 1 3 3 1 2 7 11 16 4 5 6 2 18 26 36 57 52 22 12 5 5 6 4 5 4 4 6 22 10 9 9 7 15 5 5 2 2 3 2 1 2 3 2 2 2 3 3 2 12 4 2 1 2 2 4 6 12 7 5 1 3 4 1 1 3 2 1 1 2 4 2 1 3 2 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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 3 4 19 23 7 5 4 1 2 3 4 2 3 10 14 20 17 42 36 43 13 4 5 3 2 3 2 2 3 2 2 2 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 80 79 m 2H | 73 72 m 2H | 37 36 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)COc1ccc(CO)cc1OC
ir: 5 10 8 15 13 8 5 8 7 3 2 5 4 3 5 6 5 3 3 5 4 4 6 13 6 5 6 12 8 5 2 4 6 7 3 4 5 3 4 5 4 1 2 3 2 3 3 4 6 5 6 6 7 6 21 17 12 3 6 8 5 8 7 9 7 8 12 56 36 8 11 9 6 5 4 7 5 3 7 3 8 16 20 19 24 35 56 59 60 17 12 10 5 5 5 6 4 6 9 6 6 5 5 5 3 2 4 3 1 2 4 2 1 2 3 3 1 3 5 8 8 9 7 7 9 15 17 10 10 7 7 3 3 3 4 1 1 3 2 1 2 5 11 26 9 10 4 2 5 20 7 1 7 6 11 3 3 4 2 0 1 5 4 0 2 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 1 2 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 4 3 2 3 6 3 4 3 8 4 2 6 10 24 31 46 100 58 16 9 4 3 3 9 62 26 6 3 3 2 1 2 2 2 1 2 2 2 2 3 3 2 3 3 3 2 1 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0; 1HNMR: 69 68 m 3H | 47 47 s 2H | 45 44 dt 2H J 8 56 | 39 38 s 3H | 38 37 s 3H | 27 27 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cn(-c2cccc(Cl)c2C#N)cn1
ir: 0 1 3 3 0 1 1 2 1 1 1 1 2 1 1 1 0 1 1 0 0 1 1 4 14 1 5 4 1 1 1 0 1 2 5 1 1 0 1 1 4 12 3 8 40 25 14 4 4 34 8 0 1 1 1 0 1 1 0 0 1 2 2 1 1 2 2 1 1 1 1 2 1 2 5 4 1 4 10 11 11 7 2 32 29 1 1 1 1 1 2 5 6 4 2 2 6 7 1 4 11 10 1 1 2 1 1 1 2 2 3 3 3 4 1 1 5 13 2 4 3 2 2 2 1 2 5 9 2 2 1 6 6 4 1 1 3 2 23 22 10 2 2 1 1 1 1 1 1 1 1 1 1 0 5 20 1 4 2 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 1 1 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 1 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 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 1 3 3 1 0 1 1 0 1 3 3 3 3 4 6 4 46 11 22 22 67 100 49 11 3 1 1 2 1 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 d 1H J 16 | 76 76 dd 1H J 13 66 | 75 75 m 2H | 74 74 dd 1H J 13 75 | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Cc1ccc2nccn2c1
ir: 0 1 0 1 1 1 1 7 3 9 4 3 3 6 2 1 1 2 2 1 0 0 0 2 2 2 0 1 1 1 0 0 0 0 1 3 3 2 1 1 4 16 9 16 40 24 12 4 18 13 19 16 12 11 6 2 4 5 3 3 1 3 2 5 5 5 9 12 9 7 9 17 22 9 4 1 1 2 1 3 22 15 2 1 0 0 1 1 1 2 2 3 2 11 16 14 7 7 13 6 3 2 4 11 42 8 2 2 2 4 2 2 6 9 3 4 2 5 6 9 8 1 6 9 6 5 4 5 6 9 9 12 15 7 8 3 3 1 3 5 8 11 10 1 1 3 2 2 4 16 29 14 4 2 3 2 2 1 1 0 0 1 0 0 0 0 0 0 1 2 4 4 2 2 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 1 1 1 0 1 0 1 1 2 0 1 3 2 5 4 2 2 1 5 4 9 8 9 6 7 5 35 62 100 81 22 28 12 4 5 2 2 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 90 90 q 1H J 12 | 79 78 d 1H J 40 | 77 77 d 1H J 40 | 74 74 d 1H J 87 | 73 73 dq 1H J 10 86 | 38 38 t 2H J 11 | 22 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCC(F)=CC1(c2ccc(F)cc2)CC1
ir: 2 2 1 1 1 1 1 1 1 2 1 2 1 2 11 5 12 4 3 3 3 3 1 1 1 0 1 2 3 1 1 3 12 4 3 0 1 1 5 5 6 3 12 3 2 2 2 3 1 2 15 6 3 5 16 34 36 4 5 5 4 5 4 24 13 12 5 8 4 3 2 3 4 2 1 1 0 2 1 1 1 0 1 2 1 2 1 3 17 1 1 1 1 1 4 2 4 6 4 3 2 7 20 3 1 1 1 1 0 1 1 1 1 1 2 3 1 1 3 3 5 15 20 29 52 10 5 3 1 2 1 1 1 1 1 2 3 4 3 2 1 2 8 5 100 8 12 65 16 8 7 12 12 3 1 1 1 7 2 0 4 3 2 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 2 1 1 2 2 2 3 3 1 2 2 6 5 2 14 32 30 64 17 6 8 13 9 4 2 4 3 2 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 71 70 m 2H | 55 54 hept 1H J 9 | 54 54 hept 1H J 9 | 47 46 d 1H J 12 | 46 46 d 1H J 13 | 21 21 s 2H | 14 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCn1c2ccccc2c2ccccc21
ir: 4 5 5 3 3 3 3 3 3 3 3 3 4 4 4 4 3 4 4 4 3 4 4 3 4 5 4 4 3 4 4 5 3 4 4 3 3 6 5 0 6 79 100 17 11 2 4 6 4 2 3 5 4 2 3 5 3 3 3 4 4 5 5 5 4 3 6 7 4 4 5 12 12 16 11 4 5 4 4 4 4 4 7 8 4 3 3 3 3 3 4 4 3 3 3 3 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 3 3 6 4 5 3 4 5 7 9 6 6 5 3 4 4 4 4 4 6 6 21 32 18 14 7 10 7 4 4 4 3 3 3 4 7 9 3 7 7 4 3 3 3 6 6 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 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 5 4 7 7 7 7 6 10 18 30 44 15 8 8 8 7 6 5 5 6 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 81 80 m 1H | 80 80 dd 1H J 12 78 | 78 77 dd 1H J 14 64 | 77 76 dd 1H J 13 64 | 75 74 m 1H | 74 74 td 1H J 14 75 | 74 73 dddd 2H J 12 64 73 137 | 60 59 ddt 1H J 52 106 161 | 53 52 dq 1H J 16 108 | 51 50 dq 1H J 14 161 | 49 49 dt 2H J 14 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cn(Cc2ccccc2)c2ccc(OCc3ccccc3)cc12
ir: 4 2 1 1 1 0 1 1 0 2 3 4 2 1 2 1 0 0 1 2 1 1 3 5 1 1 2 1 1 3 4 6 2 2 2 1 9 11 4 2 37 19 3 4 1 1 1 3 1 0 0 1 1 2 12 5 1 1 1 1 1 1 2 3 9 2 22 8 13 7 2 2 2 1 3 2 3 2 3 3 10 4 1 1 0 0 0 1 2 9 5 1 0 0 1 1 1 3 1 1 1 3 6 3 7 2 2 3 1 2 5 1 0 0 0 0 0 0 0 1 2 1 1 1 0 2 1 0 0 1 1 1 0 2 4 14 5 1 1 1 0 2 12 37 32 4 3 5 10 1 1 11 17 4 7 4 1 0 1 1 4 1 1 4 5 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 1 0 1 1 1 2 1 0 1 1 1 0 1 5 8 9 32 100 56 47 22 4 2 1 2 1 1 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 d 1H J 82 | 74 72 m 11H | 72 71 ddq 2H J 8 15 58 | 69 69 dd 1H J 27 82 | 54 54 q 2H J 9 | 51 50 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Oc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2
ir: 1 1 2 2 1 5 10 4 3 4 5 11 11 11 11 3 2 2 3 9 2 2 4 3 5 5 2 2 2 10 5 2 5 3 5 1 1 10 13 1 4 3 4 1 2 3 2 0 3 7 5 7 3 8 8 5 100 18 6 4 3 7 7 6 3 4 7 1 2 7 2 6 9 19 1 1 2 2 1 1 2 9 2 1 1 2 2 9 5 5 1 2 2 2 4 3 5 2 8 9 12 4 1 5 9 15 1 2 2 2 1 4 22 3 1 1 9 3 4 7 13 5 3 5 4 4 8 7 27 3 1 6 3 1 1 2 3 5 10 7 13 8 2 4 24 15 3 3 2 6 5 54 2 12 14 17 36 3 1 2 1 1 1 2 9 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 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 2 2 1 1 1 3 2 2 5 3 7 43 13 6 7 1 2 2 2 0 4 40 3 1 2 2 1 2 2 4 3 1 2 4 2 26 40 14 3 1 2 2 1 1 2 2 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 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; 1HNMR: 92 92 s 1H | 90 90 s 1H | 84 83 dd 1H J 21 47 | 77 76 dq 2H J 13 72 | 74 73 m 3H | 71 71 dd 1H J 46 82 | 48 47 s 2H | 42 41 t 2H J 66 | 31 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1(c2cncnc2)CCC(F)(F)CC1
ir: 32 2 5 2 4 4 2 1 0 1 2 2 4 10 7 2 1 2 2 1 0 3 5 2 1 5 19 35 26 8 10 8 1 15 14 100 79 15 6 7 6 2 1 4 3 1 1 3 2 0 1 3 7 6 13 16 3 3 10 14 1 1 1 1 11 2 3 2 1 1 2 1 1 1 1 2 1 1 1 23 10 2 3 10 4 2 2 5 4 0 2 3 5 3 2 5 1 1 3 4 4 7 27 12 7 7 39 35 36 7 4 5 15 21 81 43 74 28 35 34 16 10 12 15 5 17 26 29 30 13 17 11 5 7 2 3 2 2 1 1 2 1 1 2 2 1 1 1 1 1 2 16 18 9 11 50 77 34 9 7 25 53 7 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 5 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 6 15 12 7 2 3 4 5 4 14 64 19 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 m 1H | 86 85 d 2H J 16 | 26 25 m 2H | 23 23 m 2H | 23 22 m 2H | 22 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)Cc1ccc(Cl)c(CNC2CC2)c1
ir: 3 2 1 3 12 3 1 2 2 3 1 2 3 2 2 7 4 3 2 5 6 6 13 9 15 32 62 30 30 13 10 9 7 8 13 41 11 16 70 48 34 20 25 21 41 34 18 8 17 5 10 12 6 11 38 9 9 12 14 14 3 7 6 4 3 4 5 15 10 7 9 13 7 6 3 6 1 2 3 3 2 3 5 3 3 3 8 6 2 4 11 5 22 19 6 9 5 15 18 17 4 11 3 4 1 2 6 3 11 9 8 35 7 33 100 36 24 5 15 10 14 4 19 21 57 13 17 10 3 14 8 7 4 3 3 3 2 2 2 5 12 13 16 27 60 56 92 17 41 35 14 4 9 15 5 1 1 2 2 1 7 20 2 0 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 2 2 2 1 3 5 2 7 3 4 5 11 17 14 16 14 27 65 24 15 16 9 5 3 3 5 1 2 3 4 2 3 8 6 10 27 38 96 48 18 28 50 38 25 12 5 6 4 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 72 m 2H | 72 71 ddt 1H J 9 19 84 | 65 65 q 1H J 49 | 40 39 dt 1H J 38 60 | 39 39 dd 2H J 9 38 | 36 35 t 2H J 9 | 28 28 d 3H J 48 | 26 25 dp 1H J 43 62 | 8 7 m 2H | 6 5 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1O
ir: 11 8 7 9 5 9 8 13 11 16 15 19 16 20 22 12 28 54 28 18 42 15 18 11 8 15 8 6 8 6 7 5 4 2 7 12 5 7 23 9 4 1 2 5 2 2 2 4 2 2 6 6 19 42 18 71 7 10 18 8 4 5 6 2 3 3 3 5 13 20 18 7 2 3 4 4 3 7 5 6 13 6 2 5 4 21 57 43 11 6 7 20 50 34 11 5 9 24 20 21 69 18 17 45 13 6 8 6 39 6 6 2 1 1 5 3 3 2 4 5 2 7 6 8 11 6 5 2 3 9 4 2 1 2 2 2 2 14 4 2 1 3 2 4 22 100 18 7 3 4 5 18 11 23 11 8 6 4 3 1 4 3 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 2 2 1 2 2 1 0 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 0 1 2 2 0 1 2 1 1 1 2 1 1 1 2 1 0 2 3 3 3 6 9 6 27 59 26 50 19 19 21 39 27 41 28 7 6 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 82 d 1H J 22 | 76 75 m 2H | 75 74 m 4H | 70 70 d 1H J 90 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)[C@H]1CCc2cc(-c3cc(Cl)ccc3-n3cnnn3)cc(=O)n21
ir: 3 3 2 3 20 9 4 4 4 4 3 4 5 10 7 14 19 14 20 31 67 21 10 2 6 8 5 4 3 6 4 3 3 3 5 2 3 4 4 3 9 9 3 2 3 4 3 4 3 3 3 5 5 12 31 14 3 3 2 2 3 4 3 2 6 18 11 22 18 11 3 3 3 7 12 37 25 18 52 57 7 4 8 5 10 4 11 5 17 5 6 5 4 2 7 9 100 8 0 2 5 3 1 11 5 7 2 3 5 3 1 9 21 8 6 5 3 5 4 4 4 5 2 3 5 6 2 4 8 4 4 3 5 5 3 3 13 2 3 3 4 12 7 35 5 4 3 3 3 10 4 5 5 11 3 4 4 26 5 4 3 7 3 5 28 6 3 2 2 3 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 4 7 3 3 4 7 3 1 11 7 14 32 21 26 12 8 4 4 5 8 47 69 24 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 93 93 s 1H | 78 78 d 1H J 87 | 77 76 d 1H J 24 | 75 74 dd 1H J 25 87 | 71 70 q 1H J 9 | 66 66 d 1H J 7 | 47 46 ddd 1H J 18 42 60 | 28 27 dddd 1H J 9 53 71 133 | 27 26 m 1H | 22 21 m 1H | 20 19 dddd 1H J 52 60 71 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(C(=O)c2ccccc2)cc(C(C)(C)C)c1O
ir: 2 1 0 1 2 2 5 2 2 1 0 1 1 1 0 2 5 5 3 1 2 1 1 2 2 2 1 2 2 2 3 12 2 3 2 18 55 16 3 3 5 6 8 9 6 1 2 2 1 1 1 1 1 1 6 1 1 1 1 1 1 1 2 8 3 5 7 7 11 4 6 1 1 1 2 2 3 3 5 4 25 17 15 8 1 2 3 5 8 1 1 1 1 1 1 2 2 1 1 2 1 5 1 2 11 3 3 1 0 1 1 1 1 1 2 4 6 3 5 5 3 2 7 5 4 12 3 2 2 3 5 3 2 6 5 10 3 2 2 3 4 9 41 15 6 21 2 3 2 6 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 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 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 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 0 1 1 1 2 4 6 8 16 9 81 19 3 2 4 2 1 10 100 74 3 2 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 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 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 m 2H | 76 76 s 2H | 76 75 m 1H | 75 75 ddt 3H J 14 64 82 | 61 60 s 1H | 14 14 s 17H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)N=C1C=CC(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)=C(F)C1
ir: 1 1 2 1 2 1 2 1 1 2 4 5 2 2 1 1 1 1 1 1 1 1 0 1 1 3 5 3 7 8 3 3 3 5 1 6 4 3 7 4 16 14 30 6 15 16 23 23 12 5 3 41 34 23 47 44 4 4 1 1 11 7 1 1 1 1 1 1 3 4 2 0 1 1 1 2 2 2 1 1 1 2 1 1 2 1 1 3 6 4 2 1 5 1 2 2 13 4 3 2 2 2 5 6 8 4 1 1 2 1 1 1 1 2 5 3 7 4 2 2 3 2 1 2 7 2 2 2 2 2 1 1 5 5 4 11 2 2 17 3 22 17 9 6 3 4 40 15 11 7 52 32 12 16 6 4 3 7 1 1 1 1 19 3 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 1 1 1 1 0 1 2 2 3 2 2 2 1 4 6 9 10 28 33 14 13 3 3 3 3 2 0 1 1 1 0 1 1 1 1 1 2 2 3 9 12 34 100 85 9 3 1 2 1 1 1 1 1 0 1 3 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 87 86 d 1H J 29 | 85 84 s 1H | 81 80 d 1H J 84 | 75 75 m 2H | 75 73 m 7H | 72 71 m 3H | 58 58 m 1H | 38 38 t 1H J 9 | 38 37 t 1H J 9 | 25 25 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)Oc2ccccc2)cc1Cl
ir: 4 2 1 2 2 0 1 1 1 1 1 1 0 0 1 1 1 1 0 0 0 0 1 1 1 1 1 2 3 5 5 11 5 10 5 2 4 3 3 6 4 5 3 4 1 1 1 0 0 1 1 1 2 1 4 4 2 1 1 2 1 0 0 1 2 1 4 7 8 3 1 1 1 0 0 0 1 1 1 1 1 1 0 2 1 0 0 0 0 0 1 1 1 5 4 0 1 1 0 1 2 1 1 1 13 4 1 0 1 1 0 1 1 1 0 1 0 0 0 0 0 0 1 1 1 2 3 2 1 1 0 0 0 1 3 2 1 0 1 0 1 1 2 6 7 4 2 1 6 10 11 11 14 9 5 9 1 0 1 3 1 1 11 6 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 1 2 1 2 4 10 100 24 8 3 1 1 1 0 1 1 1 0 0 1 1 0 0 0 1 1 1 1 2 8 46 20 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; 1HNMR: 76 75 m 1H | 76 75 s 1H | 75 74 m 4H | 73 72 m 2H | 72 71 dp 1H J 9 71 | 22 22 d 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1sc(C2=CCCCC2)cc1N
ir: 1 2 3 2 0 3 8 5 6 9 16 13 13 5 7 2 2 3 3 1 1 2 2 1 0 2 2 1 1 8 13 16 7 5 3 2 1 3 2 2 1 3 2 1 1 2 2 1 1 2 1 0 1 2 2 1 2 3 2 1 2 2 2 2 3 4 1 1 2 4 2 2 2 2 3 4 7 4 4 2 2 2 2 3 5 4 2 2 2 2 1 1 2 2 0 1 2 1 0 1 2 2 0 1 2 2 0 1 2 2 1 4 10 5 1 3 2 2 3 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 5 5 7 2 1 1 2 2 1 1 2 2 0 1 7 3 3 1 3 6 9 11 2 27 25 12 5 3 1 2 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 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 3 6 6 4 6 4 2 2 7 9 7 1 2 2 1 1 1 2 1 0 2 3 1 1 8 72 100 5 2 2 1 1 2 2 1 3 13 88 43 13 4 2 1 1 1 1 1 1 2 3 3 2 3 2 2 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 68 68 s 1H | 61 60 tq 1H J 9 39 | 56 56 s 2H | 40 39 s 2H | 27 27 ddq 2H J 10 53 62 | 22 21 dddd 2H J 10 35 57 71 | 18 16 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC1(c2cccc(OCc3ccc4ccc(F)cc4c3)c2)CC(C)OC(C)C1
ir: 3 1 1 1 3 2 1 4 3 2 14 26 5 1 1 3 7 4 1 2 3 1 1 2 2 3 1 2 2 1 1 5 5 7 1 4 2 0 0 2 2 1 1 2 1 0 2 27 17 4 4 2 2 3 7 3 22 26 31 6 4 0 5 8 2 2 5 6 7 8 17 11 11 2 3 4 2 2 3 6 8 9 6 6 1 0 2 2 2 7 5 5 13 4 2 2 1 9 17 2 1 2 3 6 7 4 5 7 7 2 2 1 1 2 6 7 3 4 4 4 3 4 5 7 4 5 8 4 2 4 4 2 12 6 13 10 5 4 3 3 5 9 3 1 1 2 3 3 2 15 5 2 2 6 3 18 7 63 3 1 2 4 10 4 2 2 1 0 6 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 1 0 0 1 1 0 1 1 1 0 1 2 2 1 2 3 2 2 4 6 3 2 2 3 2 3 5 6 17 21 30 95 100 30 4 3 2 2 1 2 2 1 1 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 0; 1HNMR: 79 78 m 1H | 78 78 dd 1H J 8 83 | 77 77 dt 1H J 15 24 | 75 75 dt 1H J 24 125 | 75 74 m 1H | 73 72 t 1H J 76 | 72 71 ddd 1H J 27 82 100 | 71 71 ddd 1H J 13 22 77 | 69 69 m 2H | 52 52 d 2H J 9 | 41 40 h 2H J 49 | 31 30 s 2H | 24 24 dd 2H J 47 144 | 22 21 dd 2H J 47 144 | 13 12 d 6H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C(Cc2ccc(-c3cccnc3O)cc2Cl)CCN1C1CCCCC1
ir: 4 4 3 4 2 2 2 3 1 2 2 1 1 4 10 25 7 4 6 8 10 6 6 3 2 3 2 2 3 1 4 3 3 4 3 3 14 12 10 17 8 3 2 2 2 1 2 1 1 2 1 2 2 3 6 18 1 3 2 3 4 6 16 9 14 6 2 2 2 2 4 8 3 4 7 10 3 5 2 3 2 1 1 1 1 1 1 1 1 1 3 2 3 4 5 6 2 3 6 1 5 1 2 2 3 3 2 2 3 5 5 9 6 3 3 2 2 2 1 3 2 8 9 2 3 4 3 4 5 4 11 32 4 3 3 1 2 6 12 2 1 1 1 2 2 4 2 3 9 16 7 3 2 5 18 6 10 3 2 1 1 1 5 3 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 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 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 3 2 1 2 4 2 5 10 6 15 16 14 21 5 2 2 3 1 0 6 90 100 8 2 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 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 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 79 dd 1H J 22 44 | 78 77 dd 1H J 20 79 | 75 74 m 2H | 72 71 ddd 2H J 16 25 79 | 35 35 ddd 1H J 56 74 119 | 34 33 m 2H | 31 30 ddd 1H J 8 67 152 | 29 29 tt 1H J 48 67 | 29 28 ddd 1H J 8 66 151 | 23 22 m 1H | 19 18 m 2H | 17 14 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1ccc(NC(=O)C2CCN(C(C)C)CC2)c(C(=O)Nc2ccc(Cl)cn2)c1
ir: 4 6 8 7 2 8 6 9 5 4 7 2 2 7 5 3 1 2 4 7 5 5 4 3 2 3 5 6 5 5 7 6 5 12 11 19 7 8 8 20 16 83 75 30 23 12 20 16 8 8 23 2 19 45 39 22 18 15 5 4 3 3 4 3 4 4 6 4 5 11 3 2 5 5 7 4 6 6 6 2 4 6 8 16 56 49 29 22 44 19 12 17 17 10 5 3 12 36 9 8 4 4 3 4 4 6 4 9 9 4 4 2 5 4 3 3 4 4 4 7 5 5 9 4 5 5 13 5 7 9 4 10 8 8 14 25 4 3 2 2 2 2 2 3 8 8 21 17 28 19 78 19 22 13 10 15 18 11 7 7 9 4 2 27 4 0 2 3 2 1 1 2 2 1 1 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 2 2 2 1 1 2 1 1 2 2 1 1 2 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 3 2 2 3 3 3 3 2 3 5 3 4 6 6 4 5 5 14 15 10 21 33 18 11 8 2 4 8 7 100 13 5 3 4 4 3 4 3 3 3 4 6 6 9 17 39 51 25 29 13 12 6 3 2 3 2 1 2 3 2 2 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 98 98 s 1H | 91 91 d 1H J 80 | 86 86 d 1H J 19 | 80 79 dd 1H J 7 21 | 77 76 dd 1H J 19 80 | 75 75 d 1H J 80 | 74 74 m 1H | 50 49 m 1H | 29 28 m 3H | 28 27 ddd 2H J 54 81 119 | 27 26 p 1H J 55 | 24 24 d 1H J 49 | 21 20 ddt 2H J 55 80 134 | 19 18 ddt 2H J 55 80 135 | 15 14 d 3H J 62 | 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.
CC(C)(C)OC(=O)N1CCN(c2ccnc3ccc(CO)cc23)CC1
ir: 3 5 5 7 9 12 3 2 3 6 10 10 3 2 2 4 2 2 11 7 5 2 1 1 2 2 2 1 0 1 1 1 2 1 1 1 1 1 1 1 0 1 2 0 1 1 1 1 1 5 2 3 3 3 7 6 11 7 3 2 3 2 3 1 2 3 3 3 2 5 2 2 1 5 3 2 2 5 4 2 3 2 3 5 13 26 33 7 13 4 4 5 2 6 9 15 8 7 3 2 2 3 1 1 1 1 1 1 1 1 1 5 3 2 1 1 5 5 4 7 8 10 23 4 6 5 3 4 1 3 7 8 1 1 1 4 3 1 2 1 0 1 0 1 1 1 1 1 1 11 13 66 5 1 1 3 11 3 1 1 36 1 1 0 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 2 1 2 2 1 1 3 2 1 2 7 2 3 12 22 4 11 27 22 6 5 4 1 0 18 100 24 9 1 0 1 2 1 1 1 2 0 1 2 2 3 1 3 2 1 1 2 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 49 | 81 81 m 1H | 79 79 d 1H J 82 | 74 74 ddt 1H J 9 24 83 | 71 70 d 1H J 49 | 47 47 dt 2H J 9 57 | 36 36 m 5H | 34 33 m 4H | 25 24 t 1H J 56 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCOc1ccc(S(=O)(=O)Cl)cc1
ir: 14 6 0 7 14 8 9 15 27 17 23 19 32 28 1 10 27 7 6 39 53 17 5 9 10 4 2 10 12 9 8 14 29 37 30 11 9 4 5 12 11 2 6 15 11 1 8 17 8 5 11 26 15 85 52 66 15 10 8 9 6 4 15 35 16 19 12 14 11 25 12 10 6 6 9 19 10 7 9 11 9 21 100 62 28 4 12 15 14 7 9 9 3 4 11 12 6 18 36 23 4 6 11 6 0 7 13 10 2 11 16 10 4 9 15 9 2 15 24 22 23 15 14 29 18 23 11 6 3 7 9 4 2 7 8 3 2 8 9 4 4 7 8 4 6 19 19 29 43 18 22 8 12 14 9 4 4 9 6 2 8 20 8 2 5 10 6 1 5 10 5 0 5 10 5 1 5 9 4 1 6 9 4 1 6 8 4 2 7 8 4 2 7 8 3 3 7 8 3 3 7 7 3 3 7 7 2 3 8 6 2 3 8 6 2 4 8 6 1 4 9 5 1 5 9 5 1 5 9 5 1 5 9 5 1 6 9 4 1 6 8 4 2 6 8 3 2 6 8 3 2 7 7 3 3 7 7 3 3 7 7 3 4 7 6 2 4 8 7 4 4 10 7 4 6 11 10 4 6 9 9 3 11 20 15 11 78 45 27 16 13 13 8 5 9 9 5 2 6 8 4 2 6 8 4 2 6 7 3 3 7 7 3 3 7 7 3 3 7 6 3 4 7 6 2 4 8 6 2 4 8 6 2 4 8 5 2 5 8 5 1 5 8 5 2 5 8 5 2 5 8 4 2 6 8 4 2 6 7 4 3 6 7 4 3 6 7 3 3 6 7 3 3 7 6 3 4 7 6 3 4 7 6 2 4 7 6 2 4 7 5 2 4 8 5 2 5 8 5 2; 1HNMR: 79 79 m 2H | 70 70 m 2H | 36 35 t 2H J 58 | 18 17 tt 2H J 58 74 | 15 14 m 4H | 9 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CN(Cc1c(C(=O)OCC)cc(Br)n1-c1ccccc1)C(=O)OC(C)(C)C
ir: 14 10 12 6 8 13 17 14 22 15 27 16 11 5 2 9 10 9 4 3 1 4 2 1 3 2 4 7 3 9 38 10 23 46 25 6 3 5 7 12 5 22 16 7 4 8 1 1 4 1 3 2 2 2 2 7 4 2 1 5 1 9 7 6 2 2 1 2 6 11 13 3 3 14 26 27 23 10 4 4 2 1 1 1 1 1 2 12 1 1 2 4 4 6 10 4 4 3 5 5 4 4 4 3 2 2 2 6 45 2 3 6 14 19 9 11 17 11 6 34 41 38 41 18 5 6 8 40 9 16 15 8 3 6 9 29 2 5 7 8 2 7 9 14 77 23 20 55 4 21 100 19 17 0 1 3 1 0 0 1 1 2 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 0 0 0 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 1 2 4 7 5 3 5 4 4 10 9 13 48 23 8 61 37 55 15 10 3 3 3 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 74 73 m 6H | 70 69 s 1H | 49 49 s 2H | 43 43 q 2H J 64 | 42 41 q 2H J 66 | 41 41 s 2H | 15 14 s 8H | 14 14 t 3H J 64 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2c(OCCOc3ccccc3)nn(C)c2N)cc1
ir: 1 4 2 5 8 2 5 2 4 2 6 3 4 1 5 2 2 4 2 1 2 2 5 4 2 2 3 3 2 5 2 1 1 2 2 1 1 2 7 5 17 36 8 2 4 3 2 1 1 2 1 1 2 3 8 6 5 4 2 3 0 1 1 1 2 1 4 3 7 7 4 3 2 1 1 1 1 2 3 8 2 1 2 1 3 2 2 6 3 1 4 2 2 1 1 1 3 1 4 3 2 2 5 2 1 1 1 1 3 2 1 1 1 1 1 4 5 1 1 2 2 1 0 3 2 4 2 1 1 1 9 0 0 0 0 2 1 0 1 1 4 17 8 6 3 3 1 9 39 28 21 22 17 8 2 2 1 1 1 9 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 2 2 5 5 8 44 100 14 6 3 3 1 1 1 1 1 0 1 1 1 2 1 1 2 5 23 1 1 0 1 1 1 1 2 4 6 46 12 5 0 1 1 1 0 1 1 1 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 m 2H | 74 73 m 2H | 73 73 m 2H | 70 70 tt 1H J 14 75 | 69 68 m 2H | 52 52 s 2H | 46 45 t 2H J 53 | 44 44 t 2H J 53 | 37 37 s 2H | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(Cl)cc1O
ir: 2 2 4 3 25 14 3 5 8 4 3 4 3 5 6 24 22 2 2 2 3 1 1 2 2 1 2 2 2 1 1 1 4 3 2 2 2 2 3 2 1 1 1 1 2 2 3 2 1 2 1 1 17 19 3 5 5 2 2 3 2 1 2 3 3 2 7 14 9 6 3 3 4 2 6 15 82 66 25 5 7 17 5 5 13 5 3 3 2 2 7 60 52 23 26 3 3 2 1 2 2 2 3 16 17 2 1 1 2 1 2 1 1 3 3 1 2 2 1 2 6 2 2 2 1 1 2 3 2 3 2 1 1 1 1 1 1 1 2 2 2 1 2 28 0 2 2 0 8 25 2 4 15 5 4 1 1 2 1 2 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 2 2 1 1 2 3 3 2 3 3 2 2 3 3 4 6 17 47 51 22 4 6 9 5 1 4 100 20 3 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 70 dq 1H J 11 72 | 70 69 dd 1H J 22 71 | 67 67 d 1H J 22 | 51 51 s 1H | 22 22 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H]1CN(C(C)=O)CC[C@H]1N1CCc2ccccc21
ir: 23 9 22 14 9 7 5 6 6 14 7 7 7 5 2 5 12 6 30 12 11 6 8 9 13 15 16 11 7 3 5 6 10 4 4 8 13 3 3 9 7 22 37 21 5 1 3 5 3 1 3 6 4 3 3 6 4 4 7 6 6 1 3 6 9 3 7 6 9 43 25 14 7 6 12 18 27 18 14 7 5 4 5 5 3 2 19 20 8 10 6 6 4 3 6 5 3 7 9 7 3 4 6 5 4 5 16 16 28 17 18 12 13 13 12 9 5 9 9 10 5 9 9 7 19 34 21 16 8 11 10 5 6 7 8 6 10 15 24 7 5 16 13 54 25 30 20 37 100 24 11 9 3 4 6 2 3 4 3 48 14 9 4 0 2 5 3 1 2 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 4 4 4 5 5 2 7 10 8 6 6 9 9 5 14 42 24 12 12 38 27 6 10 7 4 2 4 4 3 2 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1; 1HNMR: 71 70 m 2H | 67 66 m 2H | 42 41 m 2H | 40 40 td 1H J 40 66 | 39 39 dd 1H J 68 114 | 38 36 m 4H | 34 34 ddd 1H J 53 81 119 | 29 28 m 3H | 22 21 dddd 1H J 52 68 81 121 | 21 21 s 2H | 19 18 dddd 1H J 42 53 81 121 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)O)c2c1
ir: 0 5 6 6 0 2 2 2 1 4 7 5 1 3 5 3 3 34 3 3 3 22 63 88 13 14 10 5 4 5 5 3 2 6 4 4 1 5 3 0 1 4 3 1 2 5 4 0 2 4 4 2 8 100 22 29 18 19 5 1 3 4 4 2 5 7 3 9 15 40 7 5 14 34 38 19 20 57 13 5 3 2 3 4 3 3 3 3 5 4 5 8 7 3 2 5 8 11 7 9 7 4 13 5 5 4 3 4 2 3 3 3 11 7 2 2 6 2 2 3 8 3 1 6 6 3 1 3 4 4 2 3 3 2 0 2 3 3 2 11 3 1 1 6 18 44 19 10 13 16 42 13 4 7 6 12 9 23 3 2 2 2 1 3 3 22 3 4 2 1 1 2 1 0 1 3 2 0 2 2 1 0 1 2 1 0 2 2 1 1 2 2 1 0 2 2 1 1 2 4 1 1 2 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 3 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 3 1 1 3 3 1 2 3 2 1 2 4 2 1 8 8 13 18 26 13 33 4 7 5 3 1 8 72 26 4 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 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; 1HNMR: 86 85 d 2H J 64 | 74 73 ddd 1H J 6 21 120 | 72 71 m 1H | 71 71 dd 1H J 13 68 | 71 70 ddd 1H J 21 86 101 | 69 68 dd 1H J 46 86 | 50 50 dtt 1H J 10 18 50 | 41 40 q 2H J 63 | 36 35 m 1H | 35 34 ddd 1H J 31 51 112 | 22 20 m 2H | 20 19 m 2H | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)OC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1
ir: 15 9 12 6 9 6 6 18 6 2 2 4 2 1 2 1 3 3 0 1 2 1 3 3 3 1 1 5 17 4 8 9 6 7 12 6 7 7 10 50 55 2 11 15 4 2 10 11 6 3 4 5 5 1 2 1 3 7 10 15 4 3 3 4 1 3 10 13 34 7 6 9 8 25 31 9 9 11 16 9 26 32 8 13 18 18 24 27 22 100 19 11 4 3 4 5 9 19 48 25 10 45 34 16 7 4 2 3 2 2 1 1 2 1 1 2 2 2 4 4 8 4 5 4 2 2 2 3 4 5 4 5 4 4 8 33 5 3 5 4 2 2 18 21 4 4 5 3 2 2 1 6 5 2 2 1 1 1 1 1 1 2 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 4 1 1 2 3 3 2 3 2 5 7 4 21 25 17 26 77 25 7 6 3 1 1 4 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 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 73 72 m 10H | 44 43 dd 1H J 70 113 | 41 41 dd 1H J 71 112 | 38 37 d 1H J 125 | 36 36 d 1H J 127 | 36 35 m 2H | 31 30 tdd 1H J 30 57 71 | 30 30 s 2H | 30 28 m 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2c(cccc2-c2cccc3ccccc23)CC1C1CCCCC1
ir: 1 1 1 6 8 5 2 1 1 4 1 2 2 1 1 1 2 2 4 2 2 1 1 4 1 1 5 7 10 2 4 11 1 1 1 2 1 4 1 2 3 9 3 1 11 86 23 67 19 7 11 4 2 3 1 11 2 1 1 2 1 0 1 1 1 2 1 2 1 0 1 2 1 1 2 3 3 1 2 1 1 1 2 1 4 1 1 2 4 2 2 9 1 2 15 9 3 2 1 5 1 3 2 2 3 16 9 9 10 13 11 6 3 5 5 9 4 2 3 2 1 3 3 2 2 2 3 3 9 8 3 2 4 2 2 8 13 14 10 8 4 2 2 2 10 11 9 6 10 15 18 22 3 2 2 18 11 13 2 1 6 3 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 3 3 4 2 2 11 8 4 6 3 28 31 35 100 60 14 4 6 2 1 2 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 80 dd 1H J 12 84 | 80 79 dt 1H J 13 79 | 79 79 m 1H | 78 78 dd 1H J 15 77 | 76 76 t 1H J 77 | 76 75 ddd 2H J 12 71 81 | 75 74 m 3H | 31 30 dt 1H J 60 88 | 30 29 ddd 1H J 8 60 143 | 27 26 ddd 1H J 8 60 141 | 22 21 dp 1H J 58 88 | 17 13 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1c2ccccc2-c2ccc(CN[C@H]3CCCc4ccccc43)cc21
ir: 1 2 2 1 7 6 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 4 2 1 1 1 1 1 2 2 1 5 1 4 4 8 22 11 17 5 15 5 1 1 4 2 1 1 3 5 11 2 2 4 16 6 4 1 0 4 1 7 5 2 2 2 10 2 1 7 5 3 0 1 2 8 4 8 18 20 8 5 12 27 8 3 5 1 2 5 8 1 1 1 1 6 2 1 2 5 4 3 4 15 3 1 1 4 10 18 6 3 2 3 3 5 3 5 2 6 2 3 2 7 4 1 3 5 11 16 6 18 5 10 5 3 10 5 5 1 1 1 1 2 7 1 1 1 1 1 1 1 0 2 3 1 1 1 1 0 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 1 1 3 6 7 82 33 12 3 2 2 4 4 100 40 7 2 1 1 1 1 0 3 5 11 26 5 1 2 2 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 2 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 dd 1H J 13 80 | 77 77 d 1H J 84 | 77 76 m 2H | 75 74 td 1H J 15 78 | 74 73 m 2H | 73 72 m 2H | 72 72 ddd 1H J 24 67 79 | 71 71 dq 1H J 11 69 | 58 58 d 1H J 46 | 40 39 m 2H | 38 38 ddt 1H J 11 56 139 | 29 29 d 1H J 42 | 29 27 m 2H | 27 26 dt 1H J 54 81 | 22 21 m 1H | 20 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1
ir: 3 2 3 5 11 2 4 2 3 2 2 4 5 3 1 4 7 3 4 2 5 5 9 4 5 3 4 6 5 2 2 5 5 0 3 43 19 21 4 0 1 3 4 6 16 21 4 5 10 4 2 1 2 2 3 7 2 0 1 3 1 1 1 1 1 20 8 2 7 6 3 6 5 3 2 1 3 1 2 2 2 2 1 2 17 3 3 21 8 2 2 1 1 1 1 2 3 1 3 9 11 27 18 2 2 0 0 1 1 1 1 9 1 7 0 1 2 1 3 4 3 3 3 2 1 1 3 3 7 57 11 8 14 8 4 2 0 3 2 6 2 4 1 11 4 1 2 3 0 1 1 3 3 1 1 8 4 6 3 26 17 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 9 1 1 4 5 3 5 27 16 1 1 2 5 1 1 0 1 0 1 1 1 1 1 1 9 1 1 2 1 3 6 6 13 44 100 10 6 29 25 2 2 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 86 86 s 1H | 83 82 d 1H J 81 | 80 80 s 2H | 79 78 d 1H J 81 | 77 76 t 1H J 21 | 74 73 m 2H | 73 72 ddd 1H J 15 22 73 | 65 64 m 1H | 62 62 dd 1H J 38 176 | 61 60 dd 1H J 38 123 | 24 23 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=O)c2ccsc2Br)c(O)c1
ir: 7 4 5 4 3 4 5 3 2 4 6 6 5 6 13 4 98 4 5 7 17 8 4 5 7 3 3 6 6 4 5 30 20 10 4 5 5 1 17 7 7 6 17 100 10 8 7 2 5 7 12 7 15 14 65 41 8 3 8 5 8 4 4 3 5 5 10 40 8 4 4 4 4 4 9 8 7 4 6 7 13 22 75 14 14 49 7 8 8 4 8 5 4 5 17 4 4 4 10 19 4 4 4 4 3 4 3 9 4 4 4 4 4 4 3 4 5 4 0 27 3 6 4 5 4 13 4 6 11 5 1 48 4 8 7 3 8 21 15 11 2 5 5 3 3 5 6 7 30 11 12 16 20 15 39 24 26 6 4 2 3 4 4 3 3 5 4 2 3 5 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 5 5 4 6 5 3 3 5 3 3 5 5 6 3 11 82 37 21 51 12 5 8 9 41 6 5 4 4 3 3 4 4 3 3 5 5 3 3 7 14 19 16 85 21 9 9 10 4 4 4 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 92 92 s 1H | 85 85 s 1H | 74 74 d 1H J 53 | 73 73 d 1H J 77 | 72 72 d 1H J 55 | 69 69 ddd 1H J 8 19 83 | 67 66 d 1H J 22 | 23 23 d 3H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(Br)cc1
ir: 5 5 4 4 6 9 5 6 3 8 14 15 9 7 5 2 2 2 2 2 3 6 12 2 1 1 1 0 0 1 0 0 2 2 0 0 1 2 1 1 1 3 3 0 2 5 5 5 3 2 4 1 2 11 6 6 1 1 1 3 1 0 2 6 32 6 4 1 3 2 2 1 1 2 1 1 1 3 9 1 1 2 20 53 9 7 10 12 20 11 100 7 7 2 1 2 3 2 2 2 6 1 3 3 2 1 1 1 1 1 1 2 1 2 2 2 4 6 16 14 6 7 24 30 4 2 2 2 2 3 2 5 2 3 2 3 2 4 2 2 2 1 1 2 7 10 20 3 1 2 4 32 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 2 1 1 1 2 3 1 11 4 7 11 6 4 14 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 4H | 37 36 m 4H | 34 33 ddd 2H J 53 81 121 | 33 33 t 2H J 72 | 27 26 t 2H J 72 | 24 23 s 5H | 22 21 dddd 2H J 54 66 82 111 | 19 18 dddd 2H J 54 66 82 112 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(CC(=O)n1c2ccccc2c2ccccc21)C(=O)NC(CC(=O)O)C(=O)CF
ir: 5 6 6 3 7 8 6 3 2 4 10 14 7 6 15 12 12 12 4 16 86 100 18 25 19 12 23 7 4 5 12 12 6 9 7 7 6 9 14 10 23 35 31 28 21 8 10 9 6 6 2 1 2 6 3 11 5 4 2 7 10 15 2 1 2 5 7 1 1 2 2 2 4 12 16 9 6 8 33 28 10 9 4 4 7 20 11 6 6 10 5 3 2 2 2 3 5 3 5 5 7 2 2 2 3 5 6 10 11 23 12 4 12 5 2 7 7 7 11 14 13 11 7 7 5 7 5 15 6 6 10 9 8 6 2 6 31 36 65 4 9 35 81 65 19 22 18 77 24 33 5 50 3 5 8 6 2 1 2 8 26 4 3 2 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 3 7 9 6 7 8 3 4 4 12 24 17 20 93 25 30 10 5 4 2 7 10 50 92 20 3 2 4 2 2 2 4 2 7 4 24 25 27 22 7 7 3 4 2 2 1 2 1 0 0 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 m 2H | 83 82 dd 1H J 11 78 | 80 80 d 1H J 86 | 77 76 ddd 2H J 12 65 74 | 75 74 m 2H | 73 73 m 1H | 52 51 m 1H | 46 45 dtd 1H J 29 71 84 | 32 31 dd 1H J 62 158 | 30 29 p 1H J 62 | 29 29 dd 1H J 61 159 | 29 28 dd 1H J 70 169 | 26 25 dd 1H J 70 169 | 18 17 dq 1H J 65 140 | 15 14 m 2H | 14 13 m 1H | 9 9 t 3H J 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(C=C(Cl)c2ccc(OC(F)(F)F)cc2)C1C(=O)Cl
ir: 4 2 1 2 5 6 2 4 5 2 3 2 3 3 4 5 8 5 7 8 3 3 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 0 1 1 0 1 0 1 2 3 2 3 3 5 5 16 17 8 16 69 24 2 2 2 1 3 1 1 3 12 8 8 4 31 3 0 1 1 1 0 1 1 1 1 1 2 2 7 1 2 1 2 3 2 7 6 24 2 2 3 2 27 19 42 20 88 15 3 2 1 1 1 2 5 7 7 1 3 4 3 4 3 4 3 4 2 2 1 2 1 1 2 2 2 2 4 3 3 0 5 34 6 3 11 5 17 22 5 5 4 7 21 12 1 3 6 13 16 2 2 1 2 1 1 0 1 0 1 3 1 1 1 1 0 0 1 0 1 0 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 0 3 3 15 10 100 52 36 6 3 1 1 4 2 0 1 2 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 m 2H | 72 72 m 2H | 59 59 dd 1H J 17 60 | 28 27 ddq 1H J 16 31 77 | 26 26 dddt 1H J 16 31 60 75 | 12 12 t 3H J 15 | 11 11 t 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(-c2ccc(O)cc2)cnc(NCC2CC2)c1-c1ccc(O)cc1
ir: 2 2 3 3 4 3 3 5 3 5 7 4 4 4 8 4 3 4 1 7 3 2 1 4 1 3 3 3 2 2 1 2 1 2 2 2 3 2 2 2 3 8 5 2 2 2 2 2 2 1 2 3 2 3 18 0 6 3 3 2 2 1 1 2 2 2 1 2 4 2 2 1 1 1 2 2 2 3 3 12 33 3 4 2 4 4 3 12 5 2 2 2 2 3 2 2 2 1 2 2 2 2 3 1 1 1 3 1 2 2 2 3 3 2 2 3 2 4 4 3 2 2 2 2 3 4 2 2 1 2 1 1 1 1 1 3 9 6 5 2 1 2 2 1 2 2 2 4 6 10 6 5 20 3 2 1 2 13 3 1 2 2 4 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 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 2 2 2 2 3 1 2 3 2 1 2 2 1 1 1 2 2 2 2 3 3 2 9 9 7 5 3 5 3 2 5 100 11 8 5 2 2 2 1 1 2 2 1 2 2 3 3 19 10 5 4 1 2 2 2 2 2 2 1 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 s 1H | 75 74 s 2H | 74 73 m 2H | 72 72 m 2H | 69 68 m 4H | 66 66 t 1H J 50 | 34 33 t 2H J 49 | 33 32 q 2H J 74 | 13 13 t 3H J 73 | 12 11 dqd 1H J 46 54 101 | 4 3 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(C(C)(C)C)cc1
ir: 1 3 6 7 4 2 3 2 1 5 3 4 5 5 12 4 5 1 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 1 1 0 1 9 1 0 1 1 0 1 3 4 0 2 2 1 0 3 10 18 40 35 4 3 2 2 2 3 2 2 1 1 1 1 6 2 1 1 1 1 1 1 3 4 8 35 27 17 2 4 2 3 3 1 43 18 2 2 1 0 1 1 2 3 4 1 1 2 1 0 0 4 1 1 3 1 4 5 2 1 1 2 2 1 5 4 3 1 1 2 1 4 2 5 7 7 2 4 1 1 1 1 0 1 0 0 0 1 1 4 16 2 3 25 8 19 8 3 3 1 1 0 1 1 0 0 1 2 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 2 5 2 2 2 4 1 4 1 2 4 2 2 3 2 1 4 6 10 8 7 53 17 1 5 5 3 1 18 100 29 10 2 1 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 2 1 2 1 4 1 3 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; 1HNMR: 75 74 s 1H | 73 72 m 2H | 71 71 dq 2H J 9 79 | 69 69 m 2H | 67 66 m 2H | 43 42 m 2H | 34 33 dt 1H J 9 139 | 31 31 dt 1H J 8 139 | 16 15 s 3H | 14 13 s 8H | 13 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H](C=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
ir: 1 4 2 2 0 1 2 1 2 5 3 2 0 2 2 1 4 2 2 1 0 2 2 0 0 2 6 6 8 36 51 19 11 29 3 8 3 3 2 4 29 13 6 3 2 1 1 5 2 2 1 1 1 1 1 0 1 1 1 1 3 2 3 1 1 3 4 2 5 10 6 6 8 3 1 1 2 3 6 2 7 6 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 2 3 4 5 6 1 1 2 2 8 4 7 5 6 2 2 1 2 4 3 1 1 3 5 7 5 5 4 4 5 8 3 3 5 21 7 1 1 2 3 2 31 39 31 11 3 1 7 23 8 5 4 4 3 2 1 1 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2 2 2 4 3 2 6 8 11 22 100 44 9 5 1 2 3 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 3 2 22 28 16 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 97 97 dt 1H J 9 42 | 73 72 m 16H | 57 56 d 1H J 71 | 46 46 dq 1H J 45 73 | 33 32 ddd 1H J 9 45 141 | 31 30 ddd 1H J 8 44 139 | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.