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Nc1ccc(Oc2ccnc3cc(-c4cccc(OCCCCl)c4)sc23)c(F)c1
ir: 25 13 10 15 22 23 19 5 4 5 8 4 6 5 5 4 5 3 3 4 3 3 3 4 3 5 3 2 3 5 4 5 4 4 4 9 14 6 3 3 4 3 3 4 4 4 10 35 9 9 6 5 4 6 6 18 4 4 3 2 4 3 3 2 4 5 7 17 16 9 10 5 5 9 8 5 6 4 7 8 9 4 5 3 2 3 2 4 8 7 7 3 2 2 4 5 2 2 2 4 3 2 3 2 3 3 4 6 7 4 5 4 4 4 3 3 5 5 4 2 3 4 3 2 2 2 2 2 3 3 2 2 2 2 2 2 1 2 2 2 4 9 6 2 2 3 3 5 4 3 3 5 15 41 76 13 45 42 33 5 3 14 50 91 11 1 2 5 2 0 2 3 2 0 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 3 2 2 4 2 2 3 9 7 4 16 83 30 26 10 2 5 4 4 2 2 3 1 1 2 3 2 2 4 31 67 16 4 3 2 2 2 3 2 10 8 100 66 15 5 3 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 3 3 2 3 3 2 2 2 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 85 85 d 1H J 44 | 75 75 ddd 1H J 12 21 75 | 73 73 t 1H J 77 | 71 71 t 1H J 22 | 70 70 s 1H | 69 68 m 2H | 68 67 m 2H | 66 66 dd 1H J 22 82 | 44 44 s 2H | 41 41 t 2H J 49 | 38 37 t 2H J 38 | 22 22 tt 2H J 37 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C(=O)OC(C)(C)C)cc3)C2=O)cc1
ir: 6 6 4 4 10 9 6 10 5 10 8 7 12 11 8 7 13 24 3 3 3 3 2 2 2 1 2 10 6 2 3 2 2 2 7 9 4 3 4 3 2 5 2 8 22 35 9 5 7 5 4 3 6 7 12 19 32 7 8 4 2 3 4 4 3 3 7 1 3 13 4 3 2 4 3 3 2 2 3 2 1 2 2 1 1 1 2 3 5 4 9 7 2 2 3 3 2 2 2 9 5 5 24 5 1 2 2 2 2 2 8 36 2 5 5 7 10 76 4 6 6 8 11 16 13 14 28 9 9 7 8 9 8 16 3 2 2 1 2 2 2 2 4 40 26 6 11 8 3 13 3 22 26 100 10 0 3 5 2 0 1 2 3 1 2 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 2 1 3 3 2 1 2 2 3 1 7 8 21 20 30 70 25 15 9 5 2 2 2 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 2H | 78 78 s 1H | 76 75 m 2H | 74 73 dt 2H J 9 88 | 70 69 m 2H | 53 52 d 2H J 9 | 41 40 q 2H J 66 | 16 16 s 8H | 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.
CCOC(=O)Nc1ccc(Cc2ccccc2)cc1
ir: 11 5 5 2 1 3 6 4 3 6 6 2 2 1 0 1 1 1 1 1 1 1 1 2 2 1 2 6 11 3 24 16 14 23 16 5 4 5 22 2 6 4 4 2 8 6 2 3 4 3 3 2 5 7 7 12 15 17 3 2 2 1 1 2 3 2 2 2 4 3 2 1 3 2 7 3 2 4 3 1 1 1 1 1 1 1 1 3 6 7 1 1 1 1 1 2 17 10 0 12 8 2 3 41 6 3 4 2 0 1 1 1 1 2 2 2 1 2 2 2 2 1 2 2 2 4 8 2 2 3 2 1 1 2 3 7 2 1 1 4 1 8 25 12 5 5 4 4 13 10 41 25 26 27 11 5 2 3 1 0 1 1 3 4 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 2 2 1 1 1 1 2 3 1 8 15 23 100 41 15 8 6 4 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 4 3 20 56 52 9 5 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 78 78 s 1H | 76 76 m 2H | 73 72 m 2H | 72 71 m 5H | 42 42 q 2H J 64 | 40 39 p 2H J 9 | 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.
CCOc1cc(C(CC(=O)NO)N2C(=O)c3cccc(N)c3C2=O)ccc1OC
ir: 6 3 4 7 7 5 10 7 9 22 41 8 16 13 6 28 57 64 15 25 31 11 4 14 15 37 11 17 3 5 4 4 4 5 6 24 25 9 16 19 50 38 18 7 18 34 15 13 7 12 25 18 11 12 30 11 6 4 4 7 4 5 12 7 5 3 3 6 8 5 11 11 6 4 6 8 8 7 4 3 4 9 13 4 1 7 20 18 7 8 5 5 10 24 28 30 7 22 7 10 16 7 13 6 1 3 3 2 0 9 8 4 1 4 6 4 4 8 10 5 9 7 15 4 6 16 17 7 12 8 6 2 2 4 3 7 11 2 2 1 22 5 4 4 7 36 9 13 29 65 5 10 14 30 100 18 19 5 15 4 18 66 13 3 2 2 2 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 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 0 2 1 1 1 2 1 1 1 2 1 1 1 2 2 2 3 3 2 2 3 13 4 4 3 3 3 7 8 11 20 15 25 38 36 17 8 6 5 8 13 88 14 5 6 2 4 2 4 5 4 41 13 5 3 6 8 71 9 6 5 10 63 77 20 6 2 2 4 2 0 1 3 2 0 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 97 97 d 1H J 33 | 96 96 d 1H J 33 | 75 74 t 1H J 75 | 72 72 s 2H | 71 71 dd 1H J 13 73 | 70 69 m 3H | 69 68 d 1H J 81 | 59 58 m 1H | 42 41 q 2H J 62 | 39 38 s 3H | 29 29 dd 1H J 58 158 | 28 27 dd 1H J 59 159 | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(N)c(=O)n(C)n1C
ir: 7 7 60 26 62 25 31 12 9 6 6 6 1 21 44 17 21 13 7 7 7 6 5 5 6 5 4 4 3 4 5 3 3 4 5 3 7 11 10 11 8 13 24 14 8 6 5 2 3 6 8 12 10 7 10 2 3 5 3 2 4 4 3 2 3 6 4 2 4 5 4 3 5 9 4 3 5 7 10 11 8 6 3 2 4 4 2 3 5 11 17 15 5 4 3 3 6 31 10 5 4 3 2 3 4 3 3 4 7 7 16 18 5 4 2 5 6 6 11 8 14 7 6 8 4 9 5 6 4 8 10 6 5 5 8 22 17 7 7 3 42 0 1 14 10 4 1 4 4 1 2 5 4 2 3 52 37 6 16 100 74 16 4 4 3 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 3 2 2 3 3 2 3 4 3 2 2 4 3 2 2 4 3 2 2 7 6 4 3 3 4 5 5 7 6 4 6 8 6 6 8 7 6 5 4 5 5 3 3 6 3 2 3 5 2 1 4 5 3 1 6 19 21 7 3 3 3 3 4 4 3 5 11 65 49 35 3 3 2 3 3 3 2 3 3 3 2 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 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 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 36 36 s 2H | 31 31 s 3H | 31 31 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(O)[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
ir: 8 6 7 5 10 7 11 12 9 6 12 7 10 5 9 8 6 11 4 6 9 13 3 10 10 8 12 18 10 16 37 35 27 31 9 8 6 7 6 6 30 0 3 4 5 4 2 5 4 1 2 4 2 2 3 4 2 1 2 5 3 1 4 5 10 10 8 10 10 14 10 9 9 4 8 9 4 7 6 5 7 2 4 5 3 3 6 6 52 6 17 36 16 43 21 9 10 10 6 12 5 6 5 4 2 5 10 11 3 10 15 8 2 7 8 10 7 5 5 5 2 10 6 6 2 5 6 3 2 4 5 3 2 7 10 16 8 15 13 6 5 11 14 57 67 100 6 6 21 56 9 6 3 3 2 1 2 3 3 2 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 2 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 1 2 3 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 2 1 3 3 1 1 3 2 1 2 3 3 1 2 3 4 2 3 8 6 4 3 6 9 4 7 13 21 12 23 50 24 23 14 14 44 57 33 17 9 4 4 3 2 2 3 3 2 2 4 4 4 8 17 27 18 14 10 3 2 1 2 3 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 74 73 m 5H | 58 57 dddd 1H J 18 91 109 165 | 54 54 dt 1H J 23 165 | 53 52 m 2H | 51 51 s 2H | 43 42 dddd 1H J 23 48 75 115 | 38 37 dqd 1H J 18 78 97 | 29 28 d 1H J 49 | 18 16 m 2H | 16 13 m 10H | 12 11 ddt 2H J 59 86 128
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C=O)c(OCc2cccnc2C#N)cn1
ir: 7 7 16 19 39 7 17 11 12 7 25 6 8 6 4 5 8 5 1 10 57 21 6 39 12 14 24 10 8 10 7 8 8 13 26 11 22 11 8 5 7 26 7 18 7 3 2 7 23 1 3 3 3 1 4 20 16 24 53 19 15 5 10 1 59 41 86 75 50 7 6 7 3 1 3 4 1 1 2 2 3 3 3 17 20 0 5 3 3 4 13 20 10 6 9 17 7 1 8 4 20 3 5 4 18 7 7 4 0 2 5 35 21 5 7 6 7 32 52 10 1 10 17 6 2 18 69 100 25 15 4 3 3 2 3 6 16 92 24 40 4 8 5 2 4 14 44 22 78 32 10 5 8 29 61 5 18 8 4 3 3 3 3 4 2 3 2 1 2 3 2 1 2 3 1 0 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 11 3 3 1 2 3 3 1 3 5 3 3 3 9 8 9 10 58 35 16 5 6 6 5 3 3 1 1 2 2 1 1 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 85 85 dd 1H J 21 43 | 78 78 s 1H | 78 77 ddt 1H J 9 20 77 | 73 72 dd 1H J 44 77 | 72 72 s 1H | 53 52 d 2H J 9 | 40 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)C1=CCC(c2c(C)c(C)c3c(c2Cl)CC(C)(CC)C3)CC1=O
ir: 3 4 16 6 1 5 7 2 3 5 4 2 6 7 6 4 2 7 10 3 6 4 4 3 7 9 5 1 3 4 3 1 2 8 9 7 4 9 7 10 16 8 4 2 4 5 5 3 12 13 14 5 21 12 27 21 6 12 9 4 3 7 6 25 13 14 9 6 4 5 4 7 4 6 12 2 4 5 2 1 3 4 3 2 5 4 3 3 4 4 4 2 3 3 1 3 4 3 1 2 5 5 1 3 6 6 2 4 5 5 3 4 5 7 9 16 21 12 21 32 16 12 10 14 30 21 19 8 6 12 9 5 18 27 5 5 7 2 10 35 13 34 31 15 6 3 7 16 45 100 6 4 3 4 3 5 4 2 3 37 4 2 2 3 2 0 2 3 2 0 2 3 1 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 3 1 1 3 2 1 1 2 2 1 2 3 3 1 2 6 6 4 4 3 8 12 19 12 7 6 8 8 10 7 34 48 26 4 5 8 3 1 3 4 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 3 2 0 1 3 2 0 1 3 2 0 2 3 1 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 0 1 3 2 0 1 3; 1HNMR: 72 71 td 1H J 17 62 | 36 35 m 1H | 30 29 dd 2H J 45 152 | 29 28 m 2H | 27 25 m 7H | 22 22 s 3H | 21 21 s 3H | 17 16 dq 1H J 74 135 | 15 14 dq 1H J 74 136 | 11 11 m 3H | 10 10 s 3H | 9 8 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(Cc1ccc(Br)cc1)C(C)=O
ir: 3 6 2 6 5 4 3 4 12 7 7 8 3 2 6 6 4 5 14 6 3 6 8 9 10 9 9 10 8 8 4 2 4 4 6 2 4 4 6 9 3 1 2 3 9 11 14 10 5 5 8 3 4 6 32 82 51 3 7 12 5 0 2 2 1 2 3 5 7 11 12 8 4 4 1 2 2 1 2 2 1 1 2 3 4 11 9 5 3 3 3 9 7 13 2 3 3 5 5 8 8 5 5 2 2 1 2 2 2 3 4 6 5 6 10 19 3 8 9 10 8 6 9 30 15 11 13 16 32 21 10 2 2 14 17 11 8 4 3 4 3 5 11 6 12 12 100 49 27 1 4 7 5 5 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 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 1 1 1 0 1 1 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 1 1 1 2 1 1 2 1 2 3 6 2 2 2 4 4 2 3 5 3 5 6 14 38 39 35 94 35 10 18 8 4 4 2 5 3 2 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 75 m 2H | 73 73 dq 2H J 9 79 | 44 44 d 2H J 9 | 33 33 q 2H J 71 | 21 21 s 2H | 12 11 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1cc(F)c(Cl)cc1NC(=O)CC(=O)c1cccc(-c2ccccn2)c1
ir: 2 4 1 3 3 3 5 8 9 5 3 3 0 2 1 3 2 2 2 6 6 5 6 3 3 5 6 4 9 9 17 13 12 8 6 5 14 6 15 73 21 9 4 11 6 4 6 1 6 3 6 3 6 1 19 7 5 7 1 1 1 1 3 1 2 1 2 3 20 8 2 1 3 2 1 1 3 3 2 3 1 2 5 1 1 1 0 0 1 1 1 1 1 3 1 5 4 8 4 4 2 12 5 4 2 1 1 1 0 2 4 2 2 1 2 1 1 1 5 5 5 7 11 13 10 11 7 10 4 5 6 2 1 3 4 15 22 24 3 2 3 9 12 19 65 13 34 35 30 40 12 2 7 23 28 32 5 6 9 2 1 2 2 1 2 2 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4 1 3 0 1 2 1 2 2 8 16 12 12 100 27 7 5 3 3 1 1 2 2 1 2 2 1 1 2 1 2 1 4 8 9 17 6 50 21 33 9 4 1 1 3 1 1 0 1 1 1 0 1 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 86 dd 1H J 17 40 | 84 83 t 1H J 22 | 82 82 s 1H | 81 80 ddd 1H J 12 22 88 | 80 79 m 2H | 77 77 dd 1H J 15 73 | 77 76 td 1H J 16 72 | 76 75 dd 1H J 79 87 | 75 74 d 1H J 121 | 72 72 ddd 1H J 15 40 71 | 42 42 s 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(=O)O)c(OC(C)=O)c1
ir: 2 2 3 2 2 2 7 5 4 3 14 14 10 11 11 13 12 22 44 20 63 41 27 50 25 29 27 15 8 4 3 3 4 4 5 6 5 3 2 2 3 2 2 2 1 2 2 1 2 2 3 2 3 7 52 23 5 5 4 4 5 5 3 2 6 16 6 10 22 21 11 19 9 12 17 28 36 16 35 23 14 10 7 9 8 6 3 6 4 4 2 2 3 5 7 3 3 2 1 1 5 8 16 7 3 3 2 3 10 4 3 6 7 12 3 4 9 5 3 5 8 5 10 9 7 9 5 10 15 4 2 4 3 3 6 16 28 5 2 5 3 1 2 3 9 10 4 4 4 1 2 13 16 10 9 9 7 2 3 4 2 0 17 20 5 2 2 2 2 1 2 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 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 2 3 2 1 2 3 3 2 2 3 3 3 4 4 4 5 6 9 12 26 39 12 4 2 2 3 1 3 24 100 32 4 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 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 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 2 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 d 1H J 84 | 69 69 d 1H J 24 | 69 68 dd 1H J 25 85 | 38 38 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=CC(=O)CC(C)(C)C1(O)C#C/C(=C\C(=O)O)C(F)(F)F
ir: 4 3 3 8 4 2 6 5 2 2 6 10 14 13 4 5 23 5 4 4 9 39 38 46 10 4 3 2 4 3 2 1 3 2 1 1 1 2 1 1 1 1 1 1 2 3 2 5 12 6 5 3 3 2 1 1 1 2 2 0 1 0 1 2 5 2 3 1 5 4 6 10 11 13 18 9 8 10 16 83 11 14 14 11 7 3 1 4 2 3 3 6 5 2 2 3 9 4 10 40 23 22 4 9 18 5 14 15 35 5 4 2 4 3 7 14 43 10 8 6 8 7 3 2 4 5 4 6 4 3 3 3 7 4 1 3 3 2 2 6 25 5 3 0 2 100 44 5 1 0 1 1 1 0 2 3 2 3 10 24 17 3 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 2 1 3 3 1 1 1 2 2 4 3 3 5 3 4 3 12 11 15 21 12 6 1 2 1 1 5 54 69 57 81 13 3 1 1 1 1 1 1 1 1 0 1 1 2 3 1 2 1 0 0 1 1 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 66 66 q 1H J 14 | 61 61 dq 1H J 11 22 | 34 34 s 1H | 27 27 dd 1H J 9 159 | 26 25 dd 1H J 9 159 | 21 20 d 4H J 13 | 12 11 s 3H | 11 11 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(S(=O)(=O)N[C@@H]2CCOC2)c1
ir: 2 2 2 1 1 3 3 2 1 2 2 3 1 2 4 2 4 4 2 2 1 3 18 12 5 2 2 2 1 2 2 3 13 2 2 1 1 2 1 2 2 3 2 1 2 3 4 4 5 3 3 3 5 4 3 2 4 3 2 2 2 2 2 2 3 4 9 2 3 2 2 1 2 4 3 3 5 6 12 3 2 6 4 1 2 2 6 5 15 7 1 1 3 2 1 1 2 2 1 4 4 6 16 6 6 5 3 2 3 2 2 2 3 2 1 3 4 2 1 2 2 2 4 4 2 1 2 3 2 2 2 2 3 1 1 2 2 2 4 5 3 1 1 2 2 6 7 4 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 3 6 8 3 2 0 1 3 1 0 65 100 23 4 2 1 1 1 1 1 2 3 13 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 84 83 t 1H J 22 | 81 80 ddd 1H J 11 21 79 | 80 79 ddd 1H J 12 22 88 | 76 75 dd 1H J 78 88 | 57 56 d 1H J 103 | 39 38 ddtd 3H J 20 40 62 126 | 38 37 ddt 1H J 20 39 115 | 36 36 m 1H | 23 22 m 1H | 20 20 dddd 1H J 20 40 61 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Cl)cn1
ir: 3 2 1 2 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 0 1 1 0 3 2 33 14 15 13 4 1 3 9 42 37 16 2 4 2 0 5 3 18 39 3 0 0 1 0 0 0 1 1 0 18 11 1 1 1 1 1 4 1 0 1 1 1 1 2 5 1 1 0 0 0 1 0 1 1 0 0 0 1 0 0 0 1 1 11 1 0 2 1 1 1 2 1 1 1 3 1 4 1 1 0 0 1 1 1 3 3 3 1 1 1 2 1 1 3 6 6 5 3 1 0 1 2 1 6 3 17 5 4 1 1 1 1 1 1 1 2 3 16 100 18 6 3 4 3 15 2 4 4 1 0 1 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 2 1 1 1 0 0 0 0 1 1 1 1 4 15 2 2 8 14 1 1 0 1 1 0 0 0 1 1 1 1 1 1 1 0 1 1 2 3 4 7 37 37 2 4 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 18 | 80 79 d 1H J 82 | 77 77 dd 1H J 19 83 | 75 75 t 1H J 57 | 58 58 t 1H J 52 | 36 35 dt 2H J 44 58 | 34 34 dt 2H J 44 52 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)N1CC2(CCN(C(=O)NC3Cc4ccccc4C3)CC2)c2ccccc21
ir: 12 16 5 2 2 8 2 3 2 7 11 3 4 3 3 1 3 5 0 1 8 14 11 6 3 2 1 2 2 2 2 4 9 4 3 13 6 1 6 13 100 36 42 33 37 3 3 1 3 3 1 2 2 4 5 2 4 14 4 1 3 32 9 1 4 3 1 3 8 21 7 2 7 4 10 12 10 10 9 1 2 3 6 2 5 3 21 7 89 47 24 7 2 3 1 2 3 4 2 10 5 13 32 68 8 7 2 5 5 3 5 10 7 6 1 2 6 3 1 10 7 14 8 14 8 9 6 2 5 3 3 2 3 2 2 1 9 74 73 30 3 5 4 11 6 6 22 33 12 59 45 23 75 11 4 5 2 1 4 2 22 2 1 2 1 0 0 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 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 0 1 0 0 1 1 0 1 0 1 1 4 1 1 1 1 3 4 1 2 3 5 6 5 7 6 7 7 9 26 39 47 16 26 77 33 25 8 3 2 4 1 0 1 2 1 1 1 1 2 3 2 3 2 4 4 9 6 32 27 36 18 11 2 2 1 2 1 1 1 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 | 72 71 m 5H | 70 69 ddd 1H J 19 71 81 | 65 64 d 1H J 71 | 42 41 dp 1H J 51 71 | 41 41 s 2H | 38 37 ddd 2H J 38 65 132 | 34 34 ddd 2H J 38 65 132 | 32 31 dd 2H J 53 149 | 30 30 s 2H | 29 28 dd 2H J 53 149 | 23 22 ddd 2H J 38 65 130 | 20 19 ddd 2H J 38 65 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)Cn1cnc(CC)c1
ir: 2 2 4 5 2 4 6 7 9 16 3 10 6 4 3 3 3 10 3 4 2 4 3 8 14 6 19 6 2 1 1 0 1 2 2 1 3 8 6 6 16 12 54 18 5 5 4 1 4 10 14 26 25 4 4 9 3 3 2 2 2 2 4 7 12 2 1 2 2 5 8 11 18 19 15 27 11 82 36 37 12 3 1 1 1 1 1 1 2 2 2 4 6 15 16 6 11 13 40 25 12 18 8 14 6 3 2 2 6 5 6 7 13 27 29 56 78 22 23 40 42 34 33 8 14 4 12 8 7 10 8 3 3 1 1 3 3 2 0 2 7 4 14 15 24 8 3 1 2 2 1 1 1 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 0 1 0 1 0 1 0 1 1 1 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 0 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 2 2 1 1 3 2 15 4 6 8 4 9 7 16 14 22 12 11 13 15 38 79 28 30 46 33 100 76 11 6 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 76 76 dt 1H J 8 18 | 69 68 dp 1H J 8 16 | 47 47 t 2H J 9 | 43 42 q 2H J 65 | 28 27 qd 2H J 9 67 | 13 12 td 6H J 53 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2cc(Nc3cc(C)[nH]n3)nc(OC3CCC3)c2cc1OC
ir: 1 6 8 3 2 1 3 1 1 1 4 2 1 2 1 2 2 3 2 27 4 3 7 3 4 7 15 20 84 29 6 12 9 23 15 4 3 4 2 1 3 2 2 1 1 2 3 23 22 32 19 6 3 1 1 2 2 2 3 7 8 13 4 3 7 4 3 3 6 6 8 44 18 5 7 16 5 4 2 2 1 1 4 5 1 1 2 2 1 1 3 2 0 2 7 12 37 9 2 22 18 46 8 2 6 3 6 3 2 1 1 1 3 2 4 6 10 8 4 6 5 6 6 2 3 3 2 6 4 2 7 16 2 3 7 4 18 21 6 4 3 2 2 45 16 56 9 19 5 1 4 3 5 1 100 5 3 2 20 10 25 51 5 1 1 4 2 1 4 62 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 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 3 3 9 2 2 3 2 2 6 5 8 9 28 3 26 5 6 2 2 1 2 2 1 2 1 2 1 1 2 6 11 5 2 5 11 58 100 66 46 9 17 3 3 3 3 2 6 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 77 77 d 1H J 21 | 76 76 s 1H | 72 71 d 1H J 21 | 70 69 s 1H | 58 58 s 1H | 47 46 m 1H | 39 38 s 5H | 23 23 s 3H | 21 20 m 2H | 19 17 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(-c2ccccc2-c2ccc3cccoc2-3)c(C#N)cn1C
ir: 1 3 1 1 1 1 2 2 3 2 0 4 3 6 5 2 3 6 8 12 8 2 5 1 1 1 2 0 6 3 4 1 3 7 2 1 3 1 2 3 27 5 14 47 11 10 3 2 7 9 4 3 5 7 25 11 3 3 3 5 6 7 3 15 2 1 1 2 2 26 6 3 2 2 11 9 13 7 4 1 1 3 7 14 1 2 8 2 5 2 3 1 1 1 7 1 2 13 11 38 15 9 2 4 9 11 21 7 5 1 3 6 11 24 22 12 14 15 15 9 6 8 2 3 10 7 1 7 6 6 3 2 3 1 3 3 5 20 50 16 14 12 4 9 2 2 2 9 8 9 2 4 2 2 2 2 4 6 10 2 12 11 2 3 5 13 11 19 1 1 1 0 0 0 1 0 0 0 0 1 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 3 8 3 3 3 2 1 4 4 4 5 3 8 5 31 100 23 51 59 53 13 6 6 4 5 1 1 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dt 1H J 15 82 | 78 78 s 1H | 78 77 m 1H | 77 77 d 1H J 81 | 76 75 m 1H | 75 74 m 3H | 68 67 dd 1H J 13 73 | 58 58 dd 1H J 73 82 | 44 43 q 2H J 64 | 39 39 s 3H | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC(C)C)c1ccc(OCC2CC2)c(-c2ccc(OC)cc2)c1
ir: 7 9 1 2 2 4 1 3 3 5 3 2 3 2 3 3 3 2 2 2 2 3 1 1 1 2 1 1 1 1 2 6 3 4 4 7 4 3 2 2 4 2 5 2 2 1 1 2 3 3 1 1 3 7 20 31 9 5 2 4 7 6 4 7 7 4 8 3 4 12 9 4 6 6 4 3 3 4 5 2 1 1 1 1 1 2 6 3 2 3 3 2 1 3 2 3 7 4 3 5 4 5 2 1 2 2 4 3 4 3 0 3 2 3 3 2 4 5 6 3 4 3 5 5 7 4 3 7 3 3 5 1 2 1 1 2 1 2 1 3 4 7 3 13 22 5 8 41 7 8 13 9 11 2 2 1 1 1 1 0 3 1 1 1 1 1 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 1 0 1 1 1 1 2 2 1 1 2 4 2 2 3 2 2 3 9 8 6 11 16 100 22 14 9 6 4 2 1 2 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 dd 1H J 6 20 | 74 73 m 2H | 72 71 m 1H | 70 69 m 2H | 69 69 d 1H J 85 | 42 41 p 2H J 64 | 40 39 d 2H J 46 | 38 38 s 2H | 37 36 tt 1H J 9 84 | 20 19 m 1H | 18 16 m 2H | 14 13 pt 1H J 44 62 | 12 12 t 3H J 63 | 10 9 m 3H | 9 8 m 3H | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc2c(c1)OCO2
ir: 4 7 2 3 1 1 1 2 2 3 2 2 2 1 1 2 2 2 2 2 1 3 4 3 3 5 10 4 4 3 7 7 12 9 3 6 5 5 3 11 4 5 2 1 1 1 1 2 1 2 1 2 2 7 10 3 2 2 1 2 4 2 2 2 4 4 2 3 8 5 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 4 1 1 1 3 1 1 1 1 1 1 4 3 4 3 2 1 1 2 2 2 6 2 1 4 4 7 3 2 1 1 3 3 2 5 3 7 1 3 4 1 1 2 2 2 4 6 4 3 1 1 2 0 0 3 8 3 100 19 17 50 30 8 6 17 19 1 1 3 2 0 1 2 1 0 1 5 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 2 3 8 12 8 8 7 6 3 2 2 1 1 1 2 1 1 1 1 1 3 2 3 1 3 5 5 2 14 11 16 33 11 13 3 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 67 67 d 1H J 87 | 67 66 ddt 1H J 9 18 88 | 66 65 m 2H | 60 59 d 1H J 82 | 59 59 s 2H | 41 40 dddt 1H J 15 29 62 79 | 35 33 m 2H | 28 27 tt 2H J 9 57 | 21 20 dp 1H J 65 130 | 14 14 s 8H | 9 9 ddd 7H J 15 66 194
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC[C@@H](CCCO)[C@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)C1
ir: 5 5 5 5 5 4 6 6 6 7 8 6 6 6 7 6 5 4 5 4 6 5 6 5 4 5 5 5 4 5 7 11 7 8 6 6 6 6 7 0 100 4 4 8 6 5 5 6 5 4 5 6 6 28 9 6 5 4 5 7 5 6 5 5 6 6 11 9 9 5 8 12 7 4 5 6 5 5 8 5 5 4 6 6 7 12 16 13 16 18 15 11 13 6 7 5 6 17 7 5 5 5 5 4 5 7 5 5 4 5 5 5 5 5 5 5 5 6 7 6 4 5 10 8 7 8 5 5 7 6 5 6 5 7 7 54 8 6 6 5 4 7 10 37 9 40 8 5 5 6 9 9 6 7 9 5 5 4 4 4 4 5 5 6 4 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 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 5 4 4 5 5 7 8 7 6 6 5 7 7 7 5 16 14 20 86 35 15 8 8 7 9 11 29 8 8 6 6 5 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 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; 1HNMR: 74 74 dq 4H J 10 74 | 74 73 m 4H | 73 73 m 2H | 71 71 d 1H J 84 | 67 66 dd 1H J 23 83 | 65 64 d 1H J 24 | 51 51 d 2H J 10 | 51 50 t 2H J 9 | 36 35 m 2H | 31 30 m 1H | 29 28 dd 1H J 51 158 | 26 25 m 2H | 25 25 ddd 1H J 58 83 149 | 24 24 m 1H | 19 18 m 2H | 17 15 m 3H | 15 13 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc2c1NC(=O)/C2=C/c1ccc2cn[nH]c2c1
ir: 8 10 8 15 8 6 2 1 3 8 6 3 25 9 8 7 7 2 1 2 3 1 4 6 4 1 2 2 7 14 6 7 3 7 15 24 8 9 11 5 5 9 3 1 1 2 5 5 3 11 31 24 2 0 7 7 1 1 1 2 3 1 1 1 0 1 1 2 5 2 1 1 1 0 2 14 9 1 1 1 1 2 3 7 4 39 9 2 1 1 4 1 0 3 2 2 0 6 5 4 13 17 0 1 2 5 4 1 1 1 1 4 26 2 1 1 1 1 6 2 1 1 2 4 4 7 37 16 21 5 2 1 1 1 1 1 1 1 1 2 3 6 1 2 1 1 1 1 1 5 4 3 2 12 23 5 3 6 19 47 9 9 29 4 1 2 1 1 1 0 0 1 0 0 1 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 1 1 2 4 6 8 23 15 7 3 3 2 1 1 1 1 2 3 1 2 2 1 2 2 2 20 1 2 2 3 30 41 21 9 8 10 100 98 2 1 1 1 0 1 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 96 96 s 1H | 83 83 d 1H J 18 | 82 82 s 1H | 80 80 m 2H | 76 76 d 1H J 26 | 75 75 dd 1H J 22 86 | 72 72 m 1H | 71 70 dd 1H J 12 76 | 51 51 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1(N2CCNCC2)CCCCC1)C(F)(F)F
ir: 2 15 17 4 3 4 8 5 1 4 9 4 3 10 9 4 0 5 9 6 1 6 6 4 2 8 8 4 2 9 9 7 7 29 22 26 64 100 60 18 22 23 16 6 10 16 8 3 11 20 14 1 17 29 21 15 34 49 63 93 53 30 9 4 7 10 5 9 8 9 9 5 15 11 4 3 6 8 3 24 25 8 5 11 10 8 3 4 7 8 2 6 7 7 5 6 9 11 56 35 11 7 7 7 8 14 10 11 27 41 32 64 63 17 16 19 18 14 3 11 16 11 13 24 18 11 10 13 28 12 11 7 9 8 6 9 8 6 3 7 6 5 3 9 10 22 54 11 11 4 5 6 5 2 3 6 5 1 3 6 4 1 3 6 3 0 3 6 3 0 3 6 3 0 3 6 3 0 4 6 3 1 4 6 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 6 3 0 3 6 3 0 3 6 3 1 3 6 3 1 4 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 5 2 2 5 5 2 3 5 4 2 3 5 4 2 4 7 9 5 13 11 5 2 4 6 7 13 22 12 6 1 4 6 3 1 4 5 3 1 4 5 3 2 4 8 9 4 12 10 39 94 32 15 13 24 27 18 8 5 7 6 3 2 5 5 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 5; 1HNMR: 74 73 tq 1H J 17 37 | 35 35 d 2H J 38 | 28 27 m 8H | 24 23 td 1H J 11 24 | 18 17 m 2H | 16 15 m 2H | 15 14 m 3H | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)c2c1C[C@@H](N(C)C)CO2
ir: 11 13 21 25 8 5 16 8 15 11 8 12 27 21 10 6 12 12 37 10 13 8 13 11 8 12 15 26 18 23 11 15 9 15 40 75 26 17 23 23 5 5 3 1 3 2 9 17 20 13 28 24 7 19 19 1 5 13 13 5 4 5 4 0 16 24 20 38 22 20 11 11 8 2 6 5 4 4 13 9 6 7 5 12 51 17 16 30 45 24 10 6 3 6 7 6 13 8 11 15 29 42 57 26 7 6 2 2 2 3 3 3 11 4 5 2 1 2 7 11 15 14 11 22 53 13 6 6 7 18 33 17 36 22 8 11 4 2 3 11 38 35 8 2 3 6 3 5 20 2 1 4 13 12 34 8 3 2 5 12 33 7 3 0 2 3 2 1 1 3 1 0 1 2 1 1 1 2 1 1 1 2 4 0 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 0 1 1 1 0 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 3 2 1 3 3 4 2 2 2 3 6 3 9 6 2 20 100 93 17 6 5 3 1 2 3 2 2 1 2 2 2 2 2 2 2 2 2 2 17 5 5 8 25 64 48 16 4 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 s 1H | 78 78 d 1H J 95 | 75 75 t 1H J 21 | 74 74 m 3H | 69 68 d 1H J 95 | 43 42 dd 1H J 67 101 | 40 40 dd 1H J 40 100 | 38 38 s 2H | 34 33 ddddt 1H J 15 43 69 81 95 | 32 31 dd 1H J 91 150 | 28 27 dd 1H J 64 150 | 23 23 d 6H J 14
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)Oc1ccc(CS)cc1
ir: 10 8 7 8 10 8 10 9 9 9 8 8 8 10 7 8 8 8 8 8 9 7 7 7 7 7 7 7 7 7 7 8 9 8 7 8 9 10 12 10 8 9 12 12 9 9 9 11 16 22 9 10 9 11 16 25 51 11 9 8 7 7 7 7 7 7 7 7 7 12 7 7 7 6 7 7 6 6 7 7 7 6 7 7 7 9 10 8 8 8 8 9 9 10 0 8 14 14 18 53 23 23 12 9 9 7 7 7 7 11 8 8 8 7 7 7 7 7 7 7 7 7 7 8 8 10 9 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 9 12 23 16 9 9 7 12 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 7 9 9 7 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 6 7 7 7 7 7 8 8 7 7 7 7 6 8 9 9 9 34 100 35 20 11 9 7 8 7 7 7 7 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 72 72 dq 2H J 9 77 | 71 71 m 2H | 38 37 dt 2H J 9 68 | 17 16 t 1H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(CCCCOc1ccccc1)C(=O)OCC
ir: 12 4 3 8 57 3 8 8 5 4 13 20 13 7 4 3 2 2 1 2 1 5 2 2 1 1 1 0 3 6 2 4 4 1 1 1 1 2 3 22 46 22 15 5 11 3 2 1 1 1 1 1 1 0 2 1 1 1 1 2 2 5 3 6 2 13 3 5 16 7 9 8 7 5 5 3 4 6 12 23 10 14 4 5 4 2 1 2 1 1 1 1 5 2 1 2 0 1 2 1 1 1 1 3 2 3 4 5 11 15 21 31 16 21 8 19 20 11 17 11 8 11 6 10 4 3 3 2 6 8 12 9 1 3 8 12 4 3 3 2 1 6 11 29 13 100 9 18 7 2 9 19 21 6 2 1 1 0 2 14 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 2 1 2 2 2 2 2 5 7 6 5 2 1 2 11 10 10 33 9 21 87 16 16 9 3 2 0 2 2 2 0 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; 1HNMR: 73 73 m 2H | 70 70 tt 1H J 14 75 | 69 68 m 2H | 42 41 m 4H | 40 40 t 2H J 55 | 20 19 t 2H J 76 | 18 17 m 2H | 17 16 m 2H | 13 13 s 2H | 13 12 t 6H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)coc2c1
ir: 3 2 2 1 2 2 1 1 2 1 0 1 2 2 3 2 3 1 3 2 2 3 2 3 2 1 1 2 3 1 2 3 3 2 5 6 3 2 2 4 6 26 5 2 1 2 2 1 1 1 1 1 3 4 13 51 8 9 3 3 2 4 4 12 4 5 18 18 36 10 13 2 10 4 4 3 1 1 2 5 1 1 3 27 6 1 1 1 1 1 2 1 1 1 1 1 1 3 7 2 1 2 5 3 2 1 3 4 1 1 2 3 2 2 3 1 0 2 2 4 28 1 2 5 0 2 13 3 2 2 3 5 1 1 1 1 0 2 16 9 2 1 10 21 5 3 1 1 1 1 5 11 7 40 4 2 2 3 6 0 1 2 4 10 2 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 1 3 6 6 7 9 100 33 20 18 5 2 2 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 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 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 86 86 s 1H | 78 78 d 1H J 84 | 72 72 s 2H | 70 70 d 1H J 22 | 69 69 dd 1H J 22 84 | 39 39 s 6H | 39 38 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1nc(C)c(-c2ccc(C(=O)O)cc2)s1
ir: 0 0 1 0 0 1 2 1 0 1 2 1 5 6 2 1 0 3 5 1 0 71 30 4 5 4 2 3 4 2 1 1 19 12 3 2 3 1 1 1 1 0 1 1 2 0 1 1 1 0 0 1 1 1 2 6 4 1 1 1 1 0 1 1 1 1 1 1 1 5 5 2 1 1 1 3 3 3 6 5 6 4 1 1 1 2 4 5 3 1 1 1 2 2 1 1 1 1 1 1 3 3 1 3 3 1 0 0 0 0 1 1 1 1 2 5 2 1 1 1 1 1 1 1 1 5 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 6 10 2 13 27 23 16 4 2 6 2 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 1 1 1 1 1 1 1 1 2 4 3 3 13 1 1 1 1 1 0 1 3 44 100 25 0 1 1 1 0 1 1 1 1 1 4 14 6 5 3 6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 m 3H | 78 78 m 3H | 25 25 s 3H | 22 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1NCCc2c(-c3cccnc3)cccc21
ir: 2 1 2 3 6 2 1 1 2 4 1 1 2 3 2 2 1 1 1 1 4 1 5 13 4 3 3 3 1 2 1 3 2 14 18 6 3 4 2 2 3 4 3 7 26 27 7 6 8 19 12 5 5 5 5 6 3 3 2 2 1 0 4 3 5 4 4 5 8 10 9 2 4 7 5 1 1 4 4 5 3 2 3 3 1 0 1 1 1 3 4 4 4 4 2 4 3 1 1 1 1 1 1 3 5 14 6 2 1 1 1 5 12 7 5 2 10 9 11 9 6 9 4 5 3 4 14 7 5 27 2 4 2 1 2 3 3 16 17 5 3 5 2 1 1 2 3 3 2 2 3 3 4 3 8 11 3 3 2 1 4 2 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 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 1 1 1 1 1 0 1 2 2 2 1 1 1 0 1 5 3 5 15 40 46 10 4 3 2 1 2 2 1 2 2 2 1 1 2 4 3 1 89 100 10 6 0 0 1 1 0 1 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 88 87 d 1H J 21 | 87 86 dd 1H J 17 48 | 79 78 dt 1H J 18 82 | 78 77 dd 1H J 11 77 | 74 73 m 2H | 73 72 dt 1H J 10 82 | 42 42 m 1H | 32 31 m 1H | 31 29 m 3H | 29 28 dt 1H J 44 62 | 15 15 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1C2=C(SCCS2)C(O)N1c1ccc2ccc(Cl)cc2n1
ir: 2 7 7 9 8 7 7 10 11 8 9 9 7 4 12 5 5 6 4 7 3 3 3 3 3 3 10 3 3 9 3 7 3 4 7 3 4 4 3 6 4 13 4 10 26 7 8 36 17 3 4 5 6 4 3 4 13 40 12 5 8 7 11 1 4 4 9 37 11 4 4 4 3 9 3 3 4 3 3 4 9 4 4 4 6 8 7 12 30 13 10 10 39 12 4 4 3 3 4 3 3 5 6 5 10 18 4 3 3 3 4 6 5 3 3 3 4 6 10 4 4 5 3 8 3 9 3 3 3 6 7 3 3 3 3 3 12 11 3 4 7 9 25 7 4 2 2 4 11 5 29 10 5 0 31 10 4 28 10 7 5 4 3 2 3 4 9 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 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 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 2 3 3 3 2 3 3 3 2 3 3 3 2 3 4 4 3 3 4 5 3 3 11 17 3 17 22 20 13 6 8 7 8 100 9 9 8 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3; 1HNMR: 80 80 dd 1H J 7 79 | 79 78 d 1H J 21 | 78 78 dd 1H J 7 83 | 75 74 dd 1H J 21 85 | 74 73 d 1H J 79 | 72 72 d 1H J 46 | 60 60 d 1H J 46 | 32 31 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(O)c2ccccc12
ir: 2 1 4 3 2 3 1 2 3 2 1 3 2 1 2 2 2 2 1 2 4 8 5 10 5 3 5 3 1 1 1 2 2 1 1 1 1 0 1 2 1 3 59 45 27 6 2 0 1 2 1 1 3 5 30 7 2 2 4 3 6 2 3 1 1 1 1 1 8 2 2 3 4 51 38 5 2 1 1 1 7 1 1 2 5 25 5 9 47 21 3 2 3 2 1 1 1 1 1 3 2 1 1 2 16 10 3 1 2 10 5 8 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 2 4 31 12 32 30 7 1 1 1 1 1 1 1 1 1 1 1 1 3 11 35 32 2 2 2 1 0 1 2 1 0 1 7 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 4 7 6 10 31 42 33 11 7 4 6 3 4 8 100 9 5 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 83 83 m 1H | 83 83 s 1H | 81 80 m 1H | 75 74 m 2H | 69 69 d 1H J 90 | 69 68 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=S(=O)(NCCN1c2ccccc2CCc2ccc(Cl)cc21)c1ccc(Cl)cc1
ir: 4 12 4 4 14 13 5 4 9 15 9 25 7 3 3 3 7 4 24 3 3 2 3 3 3 3 6 3 4 3 3 0 7 5 5 6 24 4 4 3 24 7 56 31 8 11 15 16 8 11 16 66 45 84 35 11 6 6 5 1 6 16 5 27 13 19 18 26 11 20 7 11 12 14 10 15 15 6 3 9 12 5 9 39 13 15 4 10 24 18 10 7 74 14 25 6 6 14 22 3 8 15 9 12 27 100 46 54 42 44 19 10 12 13 8 7 5 8 7 10 15 9 23 16 6 4 4 4 3 5 5 4 3 3 3 3 3 8 23 4 4 4 7 39 17 60 27 7 14 20 17 11 10 27 4 6 3 3 3 22 11 3 30 4 3 3 3 3 2 2 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 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 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 2 3 2 2 3 2 2 2 2 2 2 3 2 2 2 3 2 3 4 5 3 3 4 4 3 5 7 6 14 4 60 94 25 49 14 7 5 5 4 2 3 4 2 2 3 3 3 2 3 2 7 13 69 19 11 3 4 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 78 78 m 2H | 76 76 m 2H | 72 71 m 2H | 71 70 m 2H | 70 70 dd 1H J 7 16 | 70 69 m 2H | 65 64 t 1H J 60 | 39 38 m 2H | 33 32 q 2H J 60 | 31 30 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCC(OC(=O)c2ccc(NS(=O)(=O)c3c(Cl)sc(Cl)c3Cl)cc2O)CC1
ir: 9 5 4 6 5 2 4 2 1 3 5 10 14 24 11 15 7 17 17 26 13 5 3 3 2 3 5 2 2 5 11 5 4 5 4 6 6 3 4 3 6 3 3 11 4 3 2 1 3 2 2 2 1 3 5 16 12 3 8 3 2 2 2 8 3 3 32 17 12 4 3 1 1 1 2 3 1 3 3 3 5 6 6 16 4 9 22 23 2 2 2 4 12 22 6 5 4 10 18 17 2 4 4 6 47 7 7 8 8 3 1 3 1 1 1 1 0 4 4 6 3 10 37 13 5 1 2 1 1 1 2 7 6 10 9 1 1 2 10 10 2 0 0 0 1 1 1 1 1 5 4 2 5 7 6 19 2 1 1 0 0 1 2 25 2 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 1 0 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 5 1 10 22 16 4 3 1 8 52 12 3 1 0 1 1 0 0 1 1 0 0 1 1 1 0 2 2 1 14 100 32 4 4 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 94 94 s 1H | 77 76 d 1H J 84 | 68 68 d 1H J 22 | 67 66 dd 1H J 21 85 | 51 50 p 1H J 46 | 29 28 ddd 2H J 61 88 119 | 27 26 ddd 2H J 62 90 121 | 23 23 s 3H | 22 21 dddd 2H J 46 61 90 134 | 20 19 dddd 2H J 46 61 88 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cn1cc(C(=O)OCC)cn1
ir: 4 1 2 3 1 2 1 3 2 2 2 1 2 1 1 1 2 2 5 1 1 2 14 54 100 14 3 3 2 2 2 2 3 9 8 3 4 3 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 2 2 1 2 4 5 3 2 2 3 2 5 27 12 6 4 6 16 12 29 1 6 9 3 4 4 5 1 1 3 3 6 6 3 4 2 0 1 1 1 1 3 2 2 2 12 8 2 1 1 1 0 1 1 1 0 1 2 3 10 7 4 7 1 2 3 1 0 1 2 2 1 13 23 2 5 6 1 1 28 4 2 1 2 2 8 16 20 11 5 2 1 16 25 9 3 7 13 50 9 1 1 1 1 6 9 5 1 0 1 1 1 1 1 1 1 0 0 1 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 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 1 1 1 1 1 1 1 2 1 1 2 2 2 2 4 6 3 3 7 9 8 9 3 5 14 20 26 10 4 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 81 80 s 1H | 80 79 s 1H | 72 71 dd 1H J 86 141 | 53 52 dd 1H J 35 141 | 51 50 dd 1H J 35 86 | 44 43 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.
O=C(NCCCCCCCCCCCCO)c1ccc(Cl)nc1
ir: 5 13 6 8 11 9 7 4 2 9 5 5 1 2 5 2 2 4 3 3 10 17 31 12 4 4 3 5 2 2 4 4 2 4 2 6 23 62 46 52 49 27 18 7 3 8 8 3 4 4 3 8 28 48 53 10 13 6 7 2 5 6 7 3 5 5 3 3 22 31 9 8 4 3 2 3 3 4 4 5 7 9 7 10 9 12 43 66 50 86 16 20 13 5 11 8 8 3 3 2 2 2 2 3 8 11 11 12 15 11 5 8 6 9 5 4 4 6 16 25 6 11 16 41 4 8 7 9 7 5 10 12 35 5 4 2 2 4 5 4 4 5 10 15 50 89 66 12 18 16 13 4 3 4 13 7 4 3 2 2 6 44 11 6 2 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 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 0 0 1 1 0 1 2 2 0 4 6 10 9 5 4 3 3 5 5 7 10 15 20 19 21 24 25 11 6 5 3 7 18 6 4 3 2 2 3 4 3 3 2 5 5 3 25 62 100 51 21 7 3 4 3 3 1 2 1 0 0 1 1 0 1 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 90 90 d 1H J 20 | 81 80 dd 1H J 19 81 | 75 75 t 1H J 50 | 74 74 d 1H J 80 | 36 35 q 2H J 58 | 33 32 q 2H J 54 | 27 27 t 1H J 59 | 16 15 tq 4H J 56 78 | 14 12 m 8H | 13 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-c2nc(NC(=S)n3ccnc3)sc2C)cc1
ir: 4 1 1 3 3 3 4 6 2 6 10 7 4 5 3 5 3 3 2 3 2 1 4 2 2 2 2 4 2 3 3 5 4 4 4 3 2 10 3 2 2 4 4 4 3 5 4 4 1 2 6 5 2 3 2 7 18 10 4 16 9 5 6 10 3 3 8 6 2 3 2 1 1 1 1 2 1 1 2 2 6 3 2 3 3 2 2 3 4 8 3 3 7 3 1 1 1 2 2 4 8 19 15 5 3 2 2 1 0 1 1 2 3 5 8 2 1 3 4 4 2 2 3 1 2 3 7 7 9 9 2 7 4 6 4 3 3 5 11 10 2 3 2 1 1 1 1 0 2 9 4 10 9 10 3 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1 2 2 5 7 8 9 10 12 100 25 19 14 8 2 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 2 8 9 17 6 3 3 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 81 81 t 1H J 16 | 77 77 dd 1H J 17 43 | 76 75 m 2H | 71 71 dd 1H J 16 42 | 69 68 m 2H | 38 38 s 3H | 25 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cn3)ncc2F)n1C1CCOCC1
ir: 2 1 2 6 5 1 2 1 1 1 1 0 1 2 4 6 3 4 2 2 1 2 4 1 2 2 8 12 3 1 15 6 12 4 9 30 5 3 13 18 7 10 27 19 10 2 4 1 1 3 1 1 6 25 35 13 3 7 2 9 2 1 1 1 2 3 2 3 1 2 14 2 1 2 6 4 3 4 6 4 4 7 1 1 3 9 8 2 1 8 6 2 1 2 2 8 4 6 3 1 1 5 5 3 2 1 1 10 3 2 5 2 5 1 2 2 3 8 5 5 5 3 2 6 10 4 4 3 2 2 4 7 3 1 2 3 6 1 1 0 0 1 2 2 11 41 11 11 3 8 64 15 18 4 7 4 6 4 2 2 2 7 31 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 6 5 5 10 8 2 1 1 1 1 0 0 1 0 0 0 0 1 0 1 1 1 1 2 2 1 3 6 6 9 100 15 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: 94 93 s 1H | 87 86 d 1H J 19 | 85 84 d 1H J 141 | 80 79 dd 1H J 18 82 | 73 73 d 1H J 20 | 71 70 d 1H J 82 | 46 45 p 1H J 42 | 38 37 ddd 2H J 30 57 106 | 36 36 m 5H | 34 32 dddd 4H J 35 62 113 328 | 28 27 ddd 2H J 35 62 113 | 25 25 d 5H J 148 | 22 21 dddd 2H J 30 43 59 129 | 20 19 dddd 2H J 31 43 57 129
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NNC(=O)c1ncc(C(F)(F)F)cc1N
ir: 3 3 3 6 0 2 2 1 1 1 2 2 1 1 2 2 2 1 3 6 8 4 1 9 8 16 6 1 6 16 9 6 4 0 2 3 4 21 23 20 2 5 3 0 0 3 9 14 2 1 1 1 2 4 3 1 1 2 2 2 1 2 4 14 22 7 5 3 15 5 2 2 1 2 11 14 2 1 1 1 1 1 5 11 3 2 1 3 18 14 2 3 7 15 1 0 1 1 12 7 0 0 1 1 2 6 1 1 1 1 1 1 2 1 0 14 12 1 2 1 0 1 1 1 1 2 6 8 17 10 4 4 22 24 5 3 1 1 1 1 1 1 2 1 7 8 0 1 1 0 11 24 2 7 12 5 1 6 12 7 3 4 26 36 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 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 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 1 1 0 0 1 1 1 1 1 1 1 1 2 3 7 3 1 1 0 1 1 1 1 1 1 0 0 3 13 100 37 4 42 17 5 2 6 16 10 35 21 2 2 6 87 48 16 11 1 2 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 0 0; 1HNMR: 87 87 t 1H J 46 | 84 83 p 1H J 13 | 78 77 dq 1H J 9 18 | 63 62 s 2H | 45 44 d 2H J 46
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1cc(F)c(Oc2ccc(C(F)(F)F)c(F)c2)c(F)c1
ir: 1 2 1 1 1 1 1 1 1 1 1 1 1 9 2 1 1 4 6 5 3 2 2 3 2 1 1 1 1 1 3 2 3 2 1 2 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 3 9 3 2 11 28 17 6 2 1 3 5 7 51 10 46 6 2 1 1 1 0 1 1 0 0 1 1 0 0 2 5 1 1 2 6 1 1 3 3 43 4 0 1 9 62 23 1 3 2 27 2 19 9 3 4 1 1 1 1 1 1 1 3 5 16 1 1 1 3 6 5 24 2 1 1 1 1 0 1 1 1 1 12 1 1 1 1 2 2 2 1 3 1 5 25 14 4 2 22 1 3 4 0 1 2 2 5 15 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 2 5 3 13 100 13 8 9 4 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 100 99 s 1H | 77 76 ddq 1H J 25 50 71 | 76 76 m 2H | 69 68 dd 1H J 22 70 | 68 67 dd 1H J 22 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2cc(-c3ccc4ccccc4c3)nc(C)c2cc1OC
ir: 1 1 2 2 2 2 2 1 1 1 9 4 1 3 2 2 2 10 20 2 1 2 2 1 2 2 2 2 4 16 4 3 4 5 6 1 1 2 2 1 2 6 44 4 2 2 3 1 1 3 3 0 3 8 43 5 4 12 4 5 44 5 7 5 7 6 5 30 20 11 8 17 14 6 3 6 2 2 4 4 1 1 1 1 3 1 1 1 1 2 1 3 5 6 2 2 2 5 2 1 3 3 10 8 6 3 5 2 2 2 7 4 7 2 3 2 2 3 4 5 3 5 4 8 5 8 3 5 2 2 3 2 1 8 38 5 5 1 1 2 2 2 8 8 14 5 13 16 11 3 15 6 1 3 14 2 23 11 4 6 5 2 2 1 2 1 1 2 2 13 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 2 2 1 1 1 1 1 1 1 2 2 3 3 13 12 9 37 86 100 11 8 0 3 4 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 86 t 1H J 22 | 82 82 dd 1H J 22 90 | 81 80 m 4H | 80 79 m 1H | 76 75 ddd 1H J 14 68 84 | 75 75 m 1H | 74 74 s 1H | 73 73 d 1H J 22 | 39 38 s 5H | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(NC(=O)CCCCl)nn1Cc1cc(Cl)ccc1OCc1ccccc1
ir: 5 3 3 4 2 4 15 21 3 4 4 4 4 3 7 8 9 17 24 6 3 5 4 4 4 4 6 7 12 16 9 15 4 11 17 9 7 19 35 15 51 9 8 9 11 12 18 11 48 63 27 22 14 42 74 9 6 4 16 4 10 2 13 8 6 5 51 51 28 21 4 4 6 5 9 45 7 7 8 4 4 3 1 1 29 5 10 4 23 13 4 5 2 14 10 3 4 11 12 6 10 8 17 5 3 2 2 6 4 5 2 28 0 10 9 5 6 6 20 9 5 10 8 8 4 5 6 6 2 3 12 6 3 9 18 83 13 10 3 5 4 16 66 73 11 7 40 28 16 18 6 17 66 11 7 9 6 4 6 8 12 10 4 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 6 5 3 11 11 5 3 5 7 7 13 14 43 46 12 41 100 56 61 10 9 6 5 5 3 5 3 2 3 3 3 2 2 3 3 3 8 11 13 19 56 36 5 2 5 4 3 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 93 92 s 1H | 74 74 m 2H | 74 73 m 2H | 73 72 m 2H | 72 72 dd 1H J 26 90 | 68 67 d 1H J 90 | 58 57 s 1H | 54 53 d 2H J 10 | 51 50 t 2H J 9 | 37 36 t 2H J 35 | 25 25 t 2H J 72 | 23 22 s 3H | 22 21 tt 2H J 35 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(O)C1=CC(C)(C)CCC1
ir: 2 4 2 2 1 4 3 2 2 2 1 1 1 1 2 2 2 2 5 3 6 3 11 4 2 1 2 3 3 2 2 2 1 1 5 5 2 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 2 2 2 3 3 6 6 6 3 6 7 8 10 12 19 24 14 13 3 6 5 4 3 4 17 10 18 40 33 100 52 39 57 34 15 5 9 1 5 1 1 3 2 2 2 1 1 1 1 1 1 1 1 2 2 2 2 3 5 2 2 3 9 9 9 10 8 5 5 3 2 4 5 5 2 2 3 1 4 3 5 8 14 14 9 5 2 2 1 1 1 1 1 1 0 0 0 0 0 0 0 1 1 3 2 1 0 0 0 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 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 1 1 2 2 3 3 3 4 2 15 9 8 13 9 29 16 10 9 5 8 7 11 8 9 22 13 8 8 2 2 1 1 1 1 0 1 0 1 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 60 58 ddd 1H J 70 112 167 | 54 53 dt 1H J 24 167 | 53 53 dhept 1H J 9 20 | 53 52 dt 1H J 23 112 | 49 48 dddd 1H J 9 23 48 93 | 26 26 d 1H J 49 | 24 23 dddd 1H J 9 51 73 136 | 23 22 dddd 1H J 9 51 75 136 | 17 15 m 2H | 15 14 m 2H | 11 10 dd 6H J 10 131
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](O)COc1ccc(Oc2ccccc2)cc1
ir: 4 3 2 3 2 2 3 4 4 1 1 2 2 1 1 0 1 0 0 2 1 1 0 1 1 0 1 2 1 2 2 3 2 1 1 1 2 2 4 1 13 11 25 5 3 3 2 2 0 1 1 0 2 6 14 28 10 4 2 1 3 1 1 1 1 3 5 8 9 7 2 1 1 0 1 2 2 4 2 1 1 0 0 1 1 3 16 11 15 12 9 1 1 1 1 3 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 0 1 1 0 1 1 1 1 1 1 2 2 2 3 1 1 1 1 1 0 1 1 2 1 1 1 0 0 1 7 15 7 3 3 12 33 5 6 6 5 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 1 1 2 3 2 6 12 74 100 40 9 4 2 2 0 4 17 6 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 71 71 tt 1H J 14 75 | 70 70 m 2H | 70 69 m 2H | 69 69 m 2H | 40 40 dd 1H J 49 117 | 39 38 m 2H | 36 36 d 1H J 56 | 13 12 d 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCc2nc(N3CCN(Cc4ccccc4)CC3)ncc21
ir: 2 2 3 1 4 4 4 1 2 2 6 5 1 3 3 1 2 2 3 1 0 3 3 6 2 8 2 2 3 5 4 3 3 2 3 5 12 10 21 48 69 0 3 12 3 3 7 14 11 0 5 4 1 2 5 2 13 1 1 3 5 0 1 2 3 5 1 5 11 1 2 4 3 1 1 2 1 2 3 1 14 3 3 13 3 2 1 1 2 5 2 2 1 1 3 2 2 7 4 6 9 2 3 4 3 4 2 1 1 1 1 1 5 5 2 2 2 1 1 2 3 4 7 3 1 6 5 4 3 4 3 7 6 6 3 6 4 3 1 2 3 28 7 9 8 19 48 2 4 4 6 3 100 0 3 2 1 1 18 4 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 0 1 1 0 0 1 1 1 1 0 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 1 0 0 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 3 3 4 2 1 1 1 1 3 9 15 15 5 21 13 9 2 0 1 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 94 94 s 1H | 73 72 m 5H | 38 37 dd 4H J 58 66 | 37 37 d 2H J 8 | 31 30 m 4H | 30 29 m 2H | 29 28 m 2H | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)[C@@H](N)Cc1ccccc1
ir: 4 3 1 2 4 1 0 2 3 2 2 3 4 2 1 3 3 2 1 2 3 2 2 10 8 9 4 4 2 5 4 7 5 4 5 19 9 9 6 23 17 17 5 3 6 4 4 3 3 1 2 3 2 1 2 5 4 3 8 7 4 0 3 7 14 24 12 19 28 31 10 13 5 5 4 5 10 12 19 20 11 14 6 7 10 4 5 3 3 4 4 3 2 2 3 3 2 3 4 2 1 2 3 2 1 2 4 3 2 2 3 2 1 2 3 3 2 3 4 6 13 17 13 10 13 7 6 8 5 7 7 16 28 44 24 6 3 4 4 2 1 6 11 36 41 100 27 17 8 6 11 4 3 3 2 0 1 3 2 1 1 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 3 3 3 2 4 4 4 9 20 10 18 3 4 3 3 1 2 4 2 5 9 6 6 8 13 22 17 14 7 10 52 70 24 31 11 12 10 5 6 3 3 2 2 1 3 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 73 72 m 2H | 73 72 m 3H | 62 61 q 1H J 53 | 46 46 d 2H J 59 | 39 38 p 1H J 58 | 32 31 ddt 1H J 8 57 154 | 29 29 ddt 1H J 8 55 153 | 27 27 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C(CC1CCN(CCc2ccccc2)CC1)(c1ccccc1)c1ccccc1
ir: 1 3 2 1 1 1 1 2 3 2 4 5 4 7 6 4 2 3 7 10 8 5 3 4 6 5 5 3 6 7 3 12 14 8 5 8 13 15 4 18 16 64 22 6 4 2 3 2 3 1 1 1 1 0 2 2 1 2 1 2 1 1 2 2 1 1 2 6 3 7 8 5 1 1 3 2 4 9 4 5 3 18 5 6 1 7 4 6 2 3 1 1 2 1 1 1 2 1 2 5 2 2 3 2 1 1 1 1 2 3 4 1 2 3 2 4 1 1 1 1 1 2 2 1 1 1 4 3 3 3 2 2 2 4 7 37 6 2 1 1 3 2 6 12 11 39 32 5 2 3 2 2 2 4 3 2 4 21 6 5 3 3 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 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 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 1 1 0 0 0 1 1 1 1 1 1 1 2 1 2 3 1 1 1 3 3 6 10 15 19 100 38 8 6 3 1 1 2 1 1 0 1 2 1 1 2 1 6 18 2 3 1 0 1 1 1 1 1 1 3 14 67 5 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 74 73 m 6H | 73 72 m 9H | 65 64 s 1H | 29 28 ddd 2H J 47 74 120 | 28 27 m 1H | 28 27 s 4H | 21 21 d 2H J 63 | 19 18 m 3H | 17 16 dddd 2H J 47 55 73 121
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOC(=O)c1ncc2sc(-c3ccc(OC)cc3)cc2c1O
ir: 1 1 3 11 5 3 2 2 5 9 2 4 5 4 5 4 13 13 23 28 43 43 17 5 6 5 2 2 6 6 2 3 3 1 3 5 7 4 4 2 3 7 5 4 1 2 4 5 7 3 1 2 11 10 13 8 4 1 6 7 4 6 10 6 1 3 2 4 10 14 1 1 2 2 2 1 1 1 0 1 3 14 6 8 5 1 2 5 14 4 3 4 18 64 21 7 22 10 37 5 2 2 1 1 0 1 11 2 2 13 84 100 8 4 1 5 4 2 2 3 3 1 3 3 1 4 7 5 6 5 0 1 1 1 0 0 1 1 2 2 0 1 2 2 1 2 5 10 57 12 31 10 10 7 4 2 5 1 1 1 1 0 3 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 2 1 0 1 1 1 1 1 2 3 3 1 2 2 0 1 1 2 6 10 15 50 56 8 10 3 10 17 72 38 4 2 1 1 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 79 79 s 1H | 77 77 m 2H | 71 70 m 2H | 44 43 t 2H J 64 | 38 38 s 3H | 18 17 p 2H J 67 | 14 13 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(-c2cc(C)c3c(c2)CN(c2cn[nH]c2)C3=O)cnc1OC
ir: 8 8 8 8 7 13 7 9 9 8 12 9 8 8 9 8 10 14 35 10 9 9 12 11 10 10 9 10 10 12 11 9 8 7 8 10 10 21 40 21 9 8 8 10 9 9 46 100 8 10 8 8 8 8 8 8 8 8 8 8 8 9 10 12 18 9 13 12 15 16 10 10 9 14 13 12 9 10 10 10 12 18 9 8 11 8 8 8 8 9 10 23 9 14 15 11 12 10 9 13 8 12 10 9 7 8 15 9 7 8 11 8 0 50 0 9 11 11 11 12 9 9 7 9 9 10 17 17 22 11 10 10 10 25 43 11 8 12 12 8 7 8 8 7 7 11 23 40 37 11 17 9 11 15 18 10 16 9 15 18 10 8 9 11 16 8 8 8 8 7 8 8 7 7 7 8 8 7 8 8 7 7 8 8 7 7 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 7 7 8 7 7 7 8 8 7 7 8 7 7 7 8 7 7 7 8 7 7 7 7 7 7 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 8 8 9 8 8 8 8 8 8 8 8 8 8 9 9 13 14 12 11 17 20 15 13 29 10 8 8 8 8 8 8 8 7 7 8 8 8 9 9 13 8 8 8 8 8 8 17 23 8 9 7 8 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 8 7 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 94 94 d 1H J 37 | 80 80 d 1H J 16 | 76 75 m 6H | 51 50 d 2H J 9 | 40 40 s 3H | 39 39 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1C1CCNC(=O)CC1
ir: 11 14 10 14 13 15 19 13 16 8 5 6 8 4 4 7 7 6 4 10 7 16 13 23 12 6 13 8 15 19 28 40 25 73 34 73 28 37 25 19 19 7 64 40 50 8 17 24 12 9 7 27 11 3 10 9 9 3 7 12 6 6 16 29 9 3 6 10 7 0 11 10 9 13 13 12 8 2 6 5 2 3 6 10 9 4 7 5 5 5 11 6 4 7 7 6 2 4 6 5 1 3 7 5 5 9 10 11 8 7 11 8 9 13 27 27 28 24 23 16 14 35 29 9 9 17 18 12 19 23 29 30 34 43 31 46 49 35 62 6 3 6 7 15 24 16 28 11 23 36 84 63 93 53 19 3 5 8 7 9 8 6 4 1 4 6 3 0 3 6 4 1 3 6 3 0 3 5 3 1 3 6 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 3 1 4 5 3 2 4 4 2 2 5 4 2 2 4 4 2 3 5 4 2 3 6 5 2 4 8 4 7 20 16 17 9 9 12 9 7 8 22 13 23 38 100 73 26 13 5 6 4 5 5 4 3 5 5 5 3 5 6 4 4 15 26 21 38 34 70 31 63 50 22 8 8 6 5 2 2 5 4 1 3 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1; 1HNMR: 72 71 m 3H | 69 68 dd 1H J 14 79 | 64 63 t 1H J 49 | 38 38 s 2H | 35 34 m 1H | 33 32 ddt 1H J 51 59 137 | 29 28 m 1H | 25 24 ddd 1H J 81 88 154 | 24 23 m 1H | 22 20 m 2H | 19 18 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)N1C[C@@H]2CN(c3ccc(N4C[C@H](CNC(C)=O)OC4=O)cc3F)C[C@@H]2C1
ir: 8 5 10 5 11 12 53 31 9 19 9 5 4 4 1 2 3 2 5 1 5 4 5 5 2 5 1 11 5 7 20 100 26 14 7 3 3 1 2 4 2 1 1 3 2 0 1 3 3 0 2 4 6 7 20 4 6 7 4 5 9 15 10 11 7 5 8 16 13 14 11 7 9 19 6 15 6 3 2 1 1 2 11 5 7 2 2 2 2 2 3 2 4 14 9 13 7 3 4 3 1 7 11 14 10 17 48 32 4 6 6 7 9 13 5 12 6 12 7 6 4 6 11 7 13 13 25 29 7 13 6 7 5 21 8 2 2 3 3 0 1 5 8 10 35 70 49 16 5 16 77 31 34 8 32 3 2 1 1 1 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 2 3 4 5 6 3 8 10 4 6 9 8 16 9 8 53 14 3 4 3 3 2 2 2 1 1 1 1 1 1 1 2 1 2 2 4 6 15 41 16 22 13 9 4 2 3 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 dd 1H J 21 122 | 73 72 t 1H J 69 | 72 71 dd 1H J 22 80 | 70 70 dd 1H J 47 80 | 47 47 tdd 1H J 16 33 42 | 42 42 dd 1H J 16 129 | 40 39 dd 1H J 35 127 | 38 37 ddt 2H J 16 112 152 | 37 37 s 3H | 37 36 m 3H | 35 35 m 2H | 34 34 m 3H | 24 23 dq 2H J 16 31 | 20 20 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(CCCC(=O)NO)nnc(-c3nccs3)c2c1
ir: 0 2 1 3 2 5 12 8 8 7 11 4 3 1 2 2 3 5 2 3 3 5 2 2 3 4 1 1 2 0 1 7 15 2 3 2 2 21 3 3 4 2 3 4 10 1 2 2 4 3 11 7 7 2 3 19 6 2 2 2 2 0 1 6 2 5 15 15 7 6 3 2 1 1 3 2 1 1 2 1 1 0 8 1 11 17 2 2 0 2 1 2 2 5 35 8 2 1 3 11 3 3 6 1 15 3 2 4 1 3 7 4 2 4 20 4 3 3 9 12 5 4 4 3 5 4 10 6 11 10 10 49 2 6 2 2 1 4 2 2 0 1 2 1 0 1 2 3 5 12 23 3 11 8 2 3 22 1 1 0 1 1 3 0 1 1 0 0 0 1 1 0 3 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 1 1 2 2 3 3 5 4 3 2 2 5 5 2 6 18 18 20 12 100 19 43 17 13 5 6 13 38 5 1 1 1 1 3 2 1 1 1 1 1 1 4 10 31 3 1 1 2 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 98 98 d 1H J 35 | 89 88 d 1H J 35 | 83 83 d 1H J 91 | 80 79 d 1H J 44 | 75 74 d 1H J 28 | 74 73 d 1H J 44 | 70 70 dd 1H J 27 90 | 39 38 s 2H | 30 29 t 2H J 88 | 26 25 t 2H J 91 | 21 20 p 2H J 90
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Cc2c(ccc3c2OC(CN2CCN(c4cccc5[nH]ccc45)CC2)CO3)N1
ir: 2 10 2 2 7 19 11 29 3 9 7 5 3 2 2 3 10 6 8 14 4 5 20 24 39 20 4 4 8 5 3 2 1 2 3 1 1 1 8 6 6 4 2 3 3 6 11 19 6 2 4 4 6 3 29 4 3 5 2 2 1 3 5 5 10 8 4 5 3 2 1 2 2 3 6 2 2 4 6 17 20 7 4 5 12 8 1 2 3 2 1 3 7 2 6 7 6 8 7 6 10 13 2 3 5 5 3 4 16 15 1 5 4 2 5 27 4 2 1 1 1 1 2 2 3 5 8 9 10 7 7 3 5 3 3 2 3 1 5 3 8 10 6 6 12 1 3 7 8 1 1 3 16 2 6 9 46 9 6 34 100 30 4 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 4 3 1 1 2 3 4 6 13 9 10 25 31 10 9 17 8 3 2 1 1 1 1 1 1 2 1 2 1 2 3 3 2 4 36 22 54 25 23 11 5 6 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 89 88 d 1H J 66 | 72 71 m 4H | 69 68 dd 1H J 19 67 | 68 67 d 1H J 89 | 67 67 d 1H J 39 | 47 46 p 1H J 43 | 44 44 dd 1H J 43 116 | 42 41 dd 1H J 43 116 | 36 36 s 2H | 34 33 m 4H | 33 32 dd 1H J 46 121 | 31 30 dd 1H J 46 121 | 28 27 m 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(N2CCCC2)nc1CCC(=O)O
ir: 6 12 6 5 5 4 4 3 3 2 2 3 4 5 4 3 2 1 2 2 1 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 8 7 4 3 4 2 5 7 6 4 3 6 8 11 2 1 2 3 2 4 2 3 1 1 2 1 1 1 1 1 0 1 1 3 1 1 2 2 5 7 7 6 2 3 2 1 1 2 4 1 10 5 1 3 1 1 1 1 2 2 2 1 10 7 11 15 24 5 7 22 25 20 9 19 28 6 8 20 22 22 5 8 12 3 4 3 3 2 5 12 6 3 2 2 1 2 1 3 1 5 10 13 2 1 2 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 2 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 5 15 8 13 15 6 10 9 7 8 11 16 24 17 7 1 15 11 2 0 3 11 55 100 6 0 1 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 1 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 40 39 s 2H | 38 38 m 2H | 38 38 s 2H | 30 29 m 2H | 29 28 m 2H | 21 20 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1c(C(O)CC(C)C)ccc2c1C(=O)OCc1cc(C)cc(OS(C)(=O)=O)c1O2
ir: 8 3 4 7 17 6 10 9 2 14 7 3 5 5 13 4 3 6 10 7 8 8 3 4 2 2 4 3 1 2 3 2 0 12 1 1 1 2 1 2 7 2 1 1 1 3 4 4 3 4 8 1 5 10 3 10 31 13 4 11 13 7 5 3 9 6 3 37 49 14 2 5 5 17 57 21 15 3 2 2 3 7 2 2 3 11 30 12 54 14 7 21 85 8 5 4 3 2 1 17 4 5 4 14 26 15 9 7 18 38 7 5 4 8 1 1 2 2 1 3 5 17 11 8 19 3 2 8 5 2 3 4 2 2 2 2 1 1 5 12 9 2 2 1 2 7 25 2 36 3 1 3 2 9 74 1 9 2 2 4 27 12 2 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 2 2 2 1 1 2 5 2 2 3 2 2 2 4 2 0 4 3 5 8 40 21 17 32 31 8 6 5 3 5 6 100 11 0 3 2 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 1 1 2 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 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; 1HNMR: 74 74 dd 1H J 7 84 | 71 70 m 1H | 69 68 d 1H J 27 | 65 65 d 1H J 84 | 52 51 d 2H J 7 | 51 50 m 1H | 39 39 s 3H | 32 32 s 3H | 29 28 d 1H J 51 | 24 24 s 3H | 19 18 m 1H | 18 17 dtt 1H J 65 80 129 | 17 16 ddd 1H J 72 80 134 | 10 10 d 3H J 65 | 9 9 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)Nc1cc(-n2c(-c3ccccc3)cc3c2CCCC3)cc(C(=O)O)c1O
ir: 4 4 3 4 5 4 3 4 4 5 3 5 6 5 4 15 12 5 4 5 8 6 8 6 6 7 10 17 25 36 51 55 14 16 6 20 31 95 79 49 29 0 7 14 6 2 3 5 3 3 7 5 4 3 3 5 3 3 5 5 3 2 3 4 3 3 4 19 23 11 16 7 18 11 7 7 5 4 16 17 5 3 6 5 3 2 8 21 16 5 6 14 11 3 7 8 2 5 16 4 6 12 10 24 12 8 7 4 4 6 19 7 4 5 13 8 5 6 8 7 6 6 9 5 2 3 4 3 3 4 4 4 5 7 5 4 6 4 20 6 6 31 6 4 8 100 42 4 4 22 82 7 14 11 3 3 3 3 3 2 3 4 3 2 5 4 3 1 3 4 3 1 3 3 3 2 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 2 3 4 3 2 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 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 3 4 5 4 3 4 12 17 8 10 39 36 24 13 65 63 15 7 5 3 11 75 8 3 2 3 4 4 2 3 4 5 6 25 60 26 6 8 5 3 2 4 3 2 2 4 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 4 2 1 2 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2; 1HNMR: 91 90 s 1H | 78 77 d 1H J 22 | 75 74 m 3H | 74 73 m 3H | 60 59 t 1H J 9 | 28 27 ddt 2H J 11 42 56 | 27 27 m 2H | 22 22 s 2H | 18 17 tt 4H J 27 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1nc(C2CCNCC2)c2ccc(OCCCN3CCCCC3)cc2n1
ir: 2 1 1 2 2 2 2 2 4 2 2 2 2 4 3 1 8 10 9 5 2 1 3 3 7 3 4 7 12 15 8 8 8 6 4 2 7 6 7 4 3 7 2 2 2 5 7 6 22 20 18 5 5 6 7 3 8 4 4 5 3 2 2 2 1 2 11 7 19 20 7 1 3 2 2 1 0 1 2 2 11 10 1 6 4 2 6 7 1 4 6 4 4 6 3 7 14 11 16 2 3 4 5 3 2 2 2 3 6 8 9 13 13 18 13 31 25 17 11 4 8 4 13 2 2 5 11 17 13 14 3 2 2 3 6 6 2 2 5 13 13 7 2 1 0 1 1 1 1 1 1 0 1 2 2 4 100 34 4 1 1 1 1 0 1 4 15 8 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 2 3 3 3 2 1 1 2 2 4 11 14 8 12 29 35 6 2 1 1 1 1 1 1 0 1 2 0 1 1 2 3 2 13 10 6 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; 1HNMR: 91 91 s 1H | 82 81 d 1H J 93 | 73 72 d 1H J 24 | 70 69 dd 1H J 22 92 | 41 40 t 2H J 66 | 33 32 p 1H J 60 | 32 31 dddd 2H J 30 38 57 134 | 29 28 dddd 2H J 30 38 57 134 | 26 25 m 2H | 25 25 m 4H | 23 22 p 1H J 38 | 22 21 dtd 2H J 31 59 150 | 19 18 m 4H | 16 16 m 4H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC1(S(=O)(=O)Nc2c(Nc3ccc(I)cc3F)c(C)c(=O)n3c2SCC3)CC1
ir: 7 3 6 7 7 7 4 3 10 4 5 10 6 4 4 3 3 1 3 12 5 6 2 2 2 1 1 1 1 1 1 1 1 1 1 4 3 2 2 3 4 3 4 6 4 5 4 7 16 1 2 3 3 4 8 5 12 11 5 3 2 2 3 1 2 1 2 7 10 41 10 7 3 4 1 7 7 2 1 1 3 1 1 1 5 3 6 19 13 3 3 3 1 1 1 1 2 2 1 1 1 10 8 2 1 1 2 1 1 1 2 8 6 16 7 35 11 5 6 4 11 5 11 4 4 4 7 3 1 1 1 1 1 2 1 2 2 2 2 1 2 1 1 6 13 2 1 3 4 1 3 8 1 1 2 34 1 2 1 0 8 2 22 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 2 2 6 4 15 9 4 8 9 6 6 3 4 3 1 2 1 1 1 0 1 0 1 0 0 1 1 1 1 2 2 6 13 11 14 12 100 8 3 3 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1H J 40 | 78 78 s 1H | 75 74 m 2H | 74 73 m 1H | 58 57 ddt 1H J 72 110 165 | 52 51 dq 1H J 14 165 | 50 50 dq 1H J 13 110 | 40 40 t 2H J 49 | 32 31 m 2H | 23 23 dt 2H J 13 72 | 21 20 s 2H | 20 19 m 2H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cscc1NC(=S)Nc1ccccc1C(F)(F)F
ir: 9 11 9 9 13 12 12 6 2 5 5 3 2 3 3 2 1 5 5 2 1 2 3 2 2 4 4 6 2 2 3 2 3 3 4 11 4 7 8 6 4 6 10 48 12 9 18 5 2 6 3 2 2 3 2 1 2 6 6 20 9 1 2 2 1 2 2 1 1 1 1 1 1 2 2 4 4 6 2 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 4 2 1 2 25 10 24 16 0 1 3 3 2 3 6 16 2 3 12 4 1 1 2 1 1 1 4 2 1 1 1 1 0 1 1 1 1 1 3 4 3 6 2 7 11 2 5 4 2 2 3 3 5 8 18 8 3 6 2 2 5 6 7 6 57 25 8 2 2 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 2 1 0 1 2 2 1 2 3 5 17 14 10 8 3 2 3 2 1 1 2 1 1 1 2 1 1 3 15 25 2 5 7 5 47 37 24 8 4 11 96 100 6 1 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 96 96 s 1H | 81 81 dd 1H J 14 71 | 77 77 dp 1H J 14 108 | 75 74 ddd 1H J 13 73 107 | 74 74 d 1H J 16 | 72 72 m 2H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(OC(=O)n1ccnc1)c1ccc(-c2ccccc2)nc1
ir: 3 3 1 3 2 2 2 6 1 1 1 1 0 1 1 1 2 2 1 0 1 1 1 1 0 0 1 1 1 2 5 11 11 9 4 2 3 4 19 9 26 13 100 26 25 2 27 12 5 2 4 3 3 32 7 1 3 10 2 7 2 0 6 11 3 3 4 1 11 4 9 2 1 1 12 4 4 3 5 5 13 3 6 28 6 3 2 2 11 7 4 6 7 24 7 69 24 14 7 2 14 18 19 6 2 1 1 1 1 3 5 2 7 10 2 11 12 10 5 7 4 7 4 6 7 5 4 2 2 1 8 5 3 3 12 20 14 3 2 2 1 10 18 22 5 4 1 2 2 1 2 5 6 5 3 1 1 1 1 1 0 0 0 2 11 4 1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 2 9 1 1 3 3 3 5 4 4 3 3 6 6 33 13 21 35 77 56 61 82 8 5 3 3 3 1 1 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 q 1H J 10 | 81 81 t 1H J 17 | 80 79 m 2H | 77 76 d 2H J 13 | 75 74 m 2H | 75 74 dd 1H J 17 40 | 74 74 m 1H | 71 70 dd 1H J 17 39 | 60 59 tq 1H J 11 38 | 22 21 m 1H | 20 18 m 1H | 10 10 td 3H J 15 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(CNC(=O)c2ccccn2)cc1
ir: 26 25 39 49 28 10 36 22 12 14 11 6 10 10 10 11 7 8 5 4 5 5 4 7 5 4 5 16 4 8 9 12 15 41 14 22 53 5 8 9 7 4 6 7 5 5 9 6 7 10 10 12 13 8 20 24 18 6 8 8 5 3 5 7 6 4 5 6 6 1 8 6 4 5 4 5 6 14 11 19 8 8 6 6 4 3 7 7 0 9 5 4 4 4 4 4 8 16 6 7 8 4 5 4 5 5 12 4 3 3 4 4 3 4 7 6 3 6 7 9 5 5 8 4 4 4 5 5 7 20 26 11 4 6 7 9 8 6 5 3 4 10 19 45 50 13 11 15 11 7 13 9 27 23 23 71 30 33 14 5 5 8 40 63 6 6 4 3 3 4 4 3 3 4 4 2 4 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 4 4 5 5 4 4 5 4 3 5 8 5 6 33 80 33 14 7 6 5 4 4 4 4 3 4 3 4 5 7 5 9 43 42 11 5 4 6 27 53 15 12 15 13 100 38 19 7 4 7 5 2 3 5 4 3 3 4 4 3 3 4 3 3 3 4 4 3 3 4 3 3 4 4 3 3 4 5 4 3 4 4 3 3 4 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 86 86 dd 1H J 17 42 | 81 81 t 1H J 60 | 81 80 dd 1H J 13 77 | 79 78 td 1H J 17 77 | 74 74 ddd 1H J 13 42 73 | 72 72 dq 2H J 9 73 | 66 66 m 2H | 46 45 dt 2H J 9 60 | 45 44 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCc4ccccc4C3)nc2c1
ir: 2 3 5 4 1 2 3 4 1 3 10 5 7 6 3 14 14 4 8 14 5 58 63 27 23 5 6 4 3 7 4 3 18 5 3 9 4 4 3 9 12 37 25 4 2 4 5 2 1 1 3 2 1 2 2 2 5 31 3 1 2 2 2 0 1 1 2 0 6 9 12 2 3 10 2 1 8 19 63 7 11 3 2 4 1 4 5 8 18 7 3 2 1 3 4 5 2 1 7 5 2 2 2 2 2 18 8 14 2 20 5 1 1 2 4 10 5 1 3 4 4 18 7 3 1 2 1 11 13 4 1 2 9 3 19 14 2 2 3 2 2 9 11 52 10 10 38 5 3 19 1 3 12 5 11 1 1 3 1 1 1 0 0 1 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 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 1 0 0 0 0 0 0 0 1 1 1 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 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 6 14 5 13 59 40 12 6 4 3 2 2 3 19 100 3 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 88 dd 1H J 20 88 | 85 84 d 1H J 23 | 82 81 d 1H J 88 | 80 80 dq 2H J 16 88 | 75 74 m 1H | 73 73 m 2H | 72 71 m 3H | 71 70 m 1H | 49 48 d 2H J 8 | 40 40 m 2H | 30 29 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(O)c(C(=O)c2ccc(O)cc2)c1
ir: 3 2 2 2 4 4 3 5 6 6 4 9 18 7 8 18 8 10 8 5 5 5 5 1 1 3 2 4 3 4 1 1 1 3 6 2 1 1 3 4 1 23 12 5 7 1 1 2 2 3 2 2 3 3 13 20 29 10 2 2 3 11 2 1 2 4 4 1 2 6 5 4 2 2 2 2 3 3 4 15 16 5 14 15 3 2 3 11 17 53 5 4 3 2 1 2 8 2 2 2 2 2 12 9 2 1 3 7 1 1 1 1 2 6 2 1 1 3 4 5 5 3 2 2 1 5 8 2 1 1 1 1 1 1 1 1 1 1 1 1 4 8 3 5 24 23 4 3 5 19 11 3 4 4 2 2 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 1 1 1 0 1 2 2 1 3 7 11 56 33 17 8 8 15 100 11 81 5 2 2 3 0 0 1 2 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 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: 90 89 s 1H | 77 77 m 2H | 72 71 m 1H | 70 69 m 2H | 69 68 m 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OCc1nn(-c2ncccc2F)cc1C(=O)OC(C)C
ir: 3 6 10 8 3 8 10 6 10 13 8 6 4 4 5 3 2 6 6 3 1 5 5 3 3 11 19 4 9 8 7 6 5 8 6 5 15 9 8 9 12 19 19 28 16 8 7 3 3 6 4 1 5 10 4 0 3 7 4 0 4 8 19 13 7 7 5 11 14 10 4 1 5 7 10 8 5 8 8 8 13 15 11 6 22 14 5 4 5 5 2 2 4 5 4 6 15 5 1 3 6 4 1 4 11 4 4 9 8 4 1 4 6 7 3 5 7 8 10 12 9 4 2 4 9 21 5 10 11 7 8 5 12 39 12 8 8 6 9 7 14 3 3 6 16 29 38 60 10 7 4 4 5 4 17 12 7 4 4 7 5 2 2 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 1 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 5 2 3 4 4 3 4 6 4 4 4 7 6 13 9 12 11 100 43 10 12 20 7 5 3 2 4 5 3 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 3 4 3 1 3 4; 1HNMR: 84 84 dd 1H J 22 32 | 80 80 s 1H | 78 77 ddd 1H J 21 70 103 | 75 75 ddd 1H J 32 49 71 | 50 49 hept 1H J 57 | 50 49 s 2H | 40 39 hept 1H J 53 | 14 13 d 6H J 59 | 13 12 d 6H J 54
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C2CO2)cc1
ir: 5 5 2 2 5 6 4 4 2 4 3 5 3 2 2 1 0 1 2 1 4 2 1 2 2 5 3 5 9 22 10 3 21 16 18 2 19 5 21 6 3 15 12 10 89 46 9 7 8 1 2 7 2 1 3 4 7 24 4 2 2 1 1 3 1 0 1 1 1 1 6 1 1 3 2 8 1 1 1 1 1 1 4 1 2 1 1 2 3 1 2 1 0 4 5 9 11 4 2 5 5 2 51 13 16 2 3 1 0 1 4 2 0 1 1 1 1 6 2 2 2 1 2 2 2 3 2 4 2 2 5 5 4 2 1 2 5 37 11 2 7 2 3 21 98 5 3 18 35 100 40 12 16 9 9 4 31 5 3 2 1 10 1 0 5 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 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 1 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 6 5 2 13 20 6 15 56 33 10 11 11 3 2 2 2 1 1 3 3 1 1 2 1 2 1 3 2 2 8 9 57 34 7 8 6 3 1 1 3 2 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 97 97 s 1H | 78 78 m 2H | 78 77 m 1H | 77 76 m 1H | 75 74 m 3H | 73 72 m 2H | 40 40 ddd 1H J 8 17 25 | 35 35 dd 1H J 24 81 | 32 32 dd 1H J 24 81 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OC(=O)N1CCC(COc2ccc(-c3ccc(CS(C)(=O)=O)cc3)nc2)CC1
ir: 4 4 4 5 8 17 16 6 4 6 9 7 3 4 3 6 3 2 1 1 1 2 2 2 1 1 1 1 1 2 2 2 1 2 5 5 10 8 1 1 2 1 1 1 1 3 1 1 1 2 2 0 1 24 21 5 5 5 5 5 2 1 1 2 1 1 2 17 16 17 8 2 1 2 2 4 2 3 2 2 1 4 4 6 3 5 10 16 18 6 6 3 1 1 2 1 1 4 3 1 7 1 2 14 12 10 7 13 5 8 10 3 5 12 4 4 5 5 7 11 4 10 11 11 7 9 8 5 1 3 3 1 1 3 2 5 100 10 3 2 2 1 1 1 1 2 3 14 14 2 26 92 1 6 3 0 1 2 1 2 3 1 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 4 4 3 2 2 2 2 8 19 25 11 25 23 19 23 5 3 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 81 81 d 1H J 20 | 80 79 m 2H | 79 78 d 1H J 83 | 75 74 dq 2H J 9 86 | 70 70 dd 1H J 19 83 | 51 50 hept 1H J 60 | 44 44 d 2H J 9 | 41 41 d 2H J 50 | 37 36 ddd 2H J 58 85 123 | 34 33 ddd 2H J 58 85 123 | 30 30 s 2H | 22 20 m 3H | 18 17 ddt 2H J 59 85 126 | 13 13 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC
ir: 11 6 8 5 4 3 13 4 9 11 7 6 10 1 4 3 3 2 1 2 2 3 2 3 2 2 4 14 26 70 25 24 7 4 10 1 1 26 2 1 2 2 2 2 2 2 1 1 1 1 2 2 1 2 1 1 1 2 2 2 1 5 3 1 3 5 8 2 9 4 7 7 14 3 3 2 2 2 1 5 2 1 1 1 2 1 1 0 1 2 3 1 2 1 1 1 1 3 4 4 3 1 1 1 1 1 3 3 14 18 5 6 10 10 14 18 10 3 26 12 7 25 10 12 1 2 9 4 4 7 6 9 6 5 4 3 3 10 24 4 7 5 44 20 21 12 21 11 5 72 13 4 2 2 0 1 1 1 2 2 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 3 4 2 3 2 0 1 2 2 4 13 10 7 20 25 4 5 7 2 1 9 2 3 3 6 4 2 1 1 1 1 1 1 1 1 1 1 1 2 4 4 14 100 12 4 2 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 0 1 1 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 0 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 58 56 m 1H | 53 53 d 1H J 77 | 51 50 ddt 1H J 13 23 161 | 50 49 ddt 1H J 15 22 108 | 42 42 dt 1H J 49 77 | 37 37 s 3H | 23 20 m 2H | 20 18 dtdd 1H J 9 49 88 137 | 18 16 dtdd 1H J 9 49 86 136 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cnc(N2CCC(Oc3cc[nH]c(=O)c3)CC2)nc1
ir: 2 4 4 1 1 2 1 1 1 3 2 1 1 2 1 2 1 1 1 2 2 1 1 3 2 1 3 3 8 1 3 2 2 3 5 7 26 42 10 4 3 5 8 63 8 5 5 2 1 1 1 0 1 1 2 3 2 3 5 1 1 1 1 2 7 7 7 33 9 6 4 1 3 2 1 1 2 5 2 1 2 1 3 6 4 1 1 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 1 2 2 1 1 2 2 3 1 7 8 3 4 2 4 4 2 2 1 1 4 4 3 9 7 4 11 3 3 2 1 1 2 3 9 7 20 12 25 5 10 14 100 7 12 10 3 3 2 7 6 5 6 1 2 3 23 1 1 4 23 29 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 1 1 1 1 1 1 4 8 3 1 4 10 19 20 10 3 2 1 0 1 1 1 0 1 1 1 1 1 1 0 1 3 8 26 22 27 6 6 5 3 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 d 2H J 9 | 78 78 dd 1H J 66 73 | 60 59 dd 1H J 13 71 | 55 54 d 1H J 12 | 47 47 p 1H J 38 | 41 40 ddd 2H J 67 94 154 | 38 37 ddd 2H J 68 94 152 | 31 30 qt 2H J 9 80 | 23 22 dddd 2H J 40 68 95 133 | 20 19 dddd 2H J 40 68 95 134 | 15 14 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(C)c1nc(Cl)nc2c1COCC2c1ccccc1
ir: 1 0 0 0 0 1 1 0 0 0 0 1 3 2 2 0 0 0 0 0 2 1 2 1 0 1 1 0 1 2 2 3 0 1 1 0 9 1 1 2 20 4 13 1 1 1 1 1 1 0 0 0 0 1 0 0 1 0 1 1 1 1 0 1 1 2 2 1 1 3 1 1 1 0 5 1 1 0 1 1 1 1 3 1 1 0 0 1 1 4 2 1 0 0 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 1 2 1 0 2 2 1 1 1 2 0 1 1 1 0 11 1 0 0 1 1 7 3 2 1 1 1 1 0 11 15 100 8 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 2 1 4 4 4 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 4H | 72 72 m 1H | 52 52 d 1H J 172 | 47 46 d 1H J 172 | 45 44 tt 1H J 8 46 | 42 42 dd 1H J 46 130 | 40 39 dd 1H J 46 130 | 36 35 q 2H J 81 | 32 31 s 2H | 13 13 t 3H J 81
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(N(CCCCCCCC(=O)O)C(=O)c2ccc(F)cc2)cc1
ir: 3 1 4 4 5 4 2 3 2 4 4 4 4 7 5 5 3 6 12 29 9 50 44 21 18 4 3 3 3 2 1 2 2 4 3 3 7 4 11 10 15 11 7 1 3 5 3 1 2 5 4 2 3 5 13 40 20 4 6 3 3 3 2 5 2 1 1 2 2 9 1 1 1 1 3 7 9 13 21 22 10 8 4 4 2 6 2 4 5 2 1 1 2 3 2 2 2 2 5 4 4 5 2 1 1 2 2 2 7 5 12 9 5 5 4 5 3 5 6 6 6 6 14 11 3 10 8 12 12 5 5 4 2 2 1 2 6 4 2 7 6 15 11 32 46 16 17 13 100 18 21 16 8 6 2 1 1 1 1 0 0 5 2 0 0 1 0 0 0 1 0 0 0 1 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 2 2 6 3 3 3 2 2 2 1 4 5 14 9 24 51 28 10 8 3 5 4 4 3 11 36 5 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 100 99 s 1H | 79 79 m 2H | 74 73 m 2H | 73 72 m 2H | 69 69 m 2H | 38 38 s 2H | 37 37 t 2H J 61 | 23 23 t 2H J 89 | 17 16 m 4H | 14 12 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC(O)CC(=O)OC(C)(C)C
ir: 3 5 5 1 2 2 2 3 2 4 4 3 1 2 3 1 2 2 3 1 1 2 2 2 2 3 4 7 8 9 5 1 1 2 2 1 1 2 7 1 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 1 1 3 2 1 2 4 4 5 2 2 3 2 5 5 10 12 4 4 3 2 2 3 2 2 5 3 5 4 10 41 49 29 11 7 8 3 3 3 1 2 3 2 2 1 3 2 1 1 3 3 2 2 3 4 3 5 2 2 1 1 3 3 3 3 9 3 3 2 3 3 1 5 7 16 11 16 6 5 2 3 8 15 5 6 3 2 3 15 13 11 2 3 2 0 0 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 3 4 3 3 4 5 4 4 3 3 3 2 3 4 7 8 13 18 4 4 3 6 6 2 9 4 15 100 74 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 60 59 dddt 1H J 9 75 110 165 | 54 53 dt 1H J 23 165 | 52 51 dt 1H J 22 110 | 47 46 m 1H | 32 32 d 1H J 59 | 27 26 ddd 1H J 9 66 165 | 25 24 ddd 1H J 9 68 165 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1[nH]c(C(=O)NC2CCN(c3nc(C(=O)O)cc4ccccc34)CC2)c(Cl)c1Cl
ir: 2 1 4 1 2 1 1 2 3 3 3 2 16 15 8 14 6 12 11 31 82 21 5 4 5 6 4 6 4 4 18 24 8 6 3 1 2 6 2 1 4 5 50 13 3 4 2 0 3 2 2 2 1 3 1 1 2 2 3 1 2 6 3 0 3 5 1 0 7 6 3 3 5 2 8 10 29 42 100 14 7 6 14 5 15 6 8 10 2 1 1 1 1 2 1 2 4 4 3 2 2 2 2 6 19 9 3 5 13 24 19 9 5 10 3 2 6 2 1 2 2 4 1 7 4 3 1 7 15 14 19 12 4 15 11 13 6 3 3 7 51 18 13 9 2 1 2 14 25 3 7 26 7 3 4 3 3 2 3 2 1 1 1 1 1 0 2 28 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 1 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 1 1 2 2 1 2 3 2 1 2 3 2 1 2 2 3 5 17 6 5 36 20 4 2 5 1 1 2 2 5 85 5 0 2 2 1 1 2 2 1 3 5 3 5 30 30 8 6 7 21 10 4 3 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H | 84 84 d 1H J 19 | 80 80 dd 1H J 12 88 | 79 78 m 1H | 76 75 m 2H | 67 66 d 1H J 77 | 39 38 m 3H | 36 36 ddd 2H J 62 90 143 | 24 24 s 2H | 20 19 dddd 2H J 43 63 89 130 | 19 18 dddd 2H J 43 62 90 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1C(=O)O
ir: 3 3 5 3 7 13 13 12 6 7 3 4 8 9 5 6 7 11 10 6 24 79 89 7 7 3 4 5 3 7 4 3 2 2 1 2 2 3 11 7 19 8 6 4 4 1 2 2 1 0 1 2 1 1 1 2 1 0 1 1 2 1 1 2 2 2 4 2 3 4 1 2 1 2 4 6 8 3 18 32 7 1 3 3 2 2 6 8 6 7 3 2 1 2 1 2 4 4 4 2 2 3 2 3 2 5 4 4 4 10 11 2 17 8 13 10 8 13 10 9 3 5 7 4 4 2 2 4 5 3 3 1 4 2 3 3 7 5 12 5 5 2 4 7 10 8 4 1 2 4 21 24 8 2 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 2 4 3 4 4 13 10 3 8 7 17 5 2 3 1 0 3 8 57 100 10 2 2 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0; 1HNMR: 74 73 m 5H | 52 51 s 2H | 39 39 dd 1H J 37 117 | 37 37 dd 1H J 65 116 | 36 35 ddd 1H J 60 86 121 | 35 34 ddd 1H J 60 88 122 | 27 27 td 1H J 37 65 | 21 20 qtd 1H J 36 64 75 | 20 19 dddd 1H J 35 59 86 123 | 18 17 ddt 1H J 62 88 125 | 10 10 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Cl)cc2)c1
ir: 3 8 6 5 4 10 7 19 2 5 9 2 8 3 4 3 3 4 2 17 5 9 4 6 7 4 6 9 9 7 5 3 6 9 7 13 3 1 1 3 2 1 3 3 6 0 9 44 80 74 13 29 18 44 43 78 22 23 7 5 3 6 4 3 4 2 1 6 12 12 11 2 7 11 2 12 3 2 10 3 2 1 2 2 3 2 2 5 2 2 2 1 1 5 14 6 12 3 2 2 2 2 7 12 100 10 2 1 3 1 4 7 20 20 20 27 18 8 4 13 5 7 13 6 5 14 40 31 24 10 8 11 6 7 25 5 2 1 3 35 8 17 25 10 11 10 70 19 23 17 15 27 27 96 10 3 4 4 5 2 6 22 41 19 5 2 2 2 1 1 1 2 1 1 1 0 1 1 1 1 0 1 1 0 0 0 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 0 0 0 1 0 1 0 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 0 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 0 1 0 1 1 0 1 1 1 0 1 0 1 2 2 3 2 1 1 1 2 2 2 1 3 5 6 21 24 32 36 50 51 24 19 11 6 4 2 4 1 2 1 4 4 3 1 3 4 4 3 8 3 21 30 70 33 16 1 3 4 4 3 3 1 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 0 1 0 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 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 90 89 s 1H | 88 88 s 1H | 81 81 t 1H J 22 | 80 79 ddd 1H J 15 22 71 | 78 77 m 2H | 75 74 m 2H | 72 71 m 2H | 64 64 s 1H | 44 44 q 2H J 63 | 14 14 t 3H J 64 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)c1ccnc(-c2cccc(F)c2)c1
ir: 3 4 9 7 10 7 4 4 1 5 8 5 4 5 7 1 2 2 2 3 3 5 5 4 4 7 6 6 6 6 2 2 5 28 13 2 5 8 8 100 16 5 7 7 6 7 19 23 15 21 6 7 9 2 13 22 16 10 14 12 6 8 11 9 12 2 22 3 8 14 11 5 6 6 13 5 8 6 6 5 8 5 4 1 5 10 16 3 1 1 1 1 3 8 3 1 2 2 1 1 2 3 7 18 36 6 4 2 2 4 5 3 5 7 5 2 1 2 3 3 2 3 2 9 12 20 4 4 12 6 7 8 7 3 3 9 20 26 43 28 30 27 16 52 12 5 33 2 2 3 3 3 2 1 1 4 1 1 9 28 5 2 1 0 1 2 2 1 1 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 1 1 1 1 0 1 1 1 0 1 2 2 2 6 5 9 29 31 10 4 2 1 1 1 1 1 1 1 0 1 1 1 1 2 10 19 12 6 4 7 9 16 16 36 27 5 8 90 18 5 3 0 1 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: 97 96 s 1H | 87 87 d 1H J 46 | 82 82 d 1H J 22 | 78 77 ddd 1H J 12 23 85 | 77 76 m 2H | 76 75 m 1H | 73 72 m 3H | 72 71 dddd 1H J 12 21 79 103 | 71 70 dd 1H J 11 82 | 69 68 s 1H | 66 65 dd 1H J 11 80 | 42 42 s 2H | 15 14 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc(-c2nccc(-c3ccc(C(=O)O)cc3)n2)cc1
ir: 0 2 2 3 6 2 1 3 3 2 1 3 2 2 3 3 16 3 7 6 8 12 20 10 8 1 1 2 7 2 1 2 1 3 7 3 2 1 0 1 1 1 1 1 1 1 2 1 4 6 62 100 3 0 2 2 57 2 8 2 1 1 2 1 1 1 2 6 0 17 2 10 7 9 4 5 11 20 32 12 15 3 2 1 2 1 2 2 4 3 2 2 2 1 1 1 1 1 1 1 0 2 5 1 0 3 2 1 1 1 1 1 1 1 5 19 8 5 4 3 2 3 7 5 5 6 8 7 2 2 1 1 1 1 4 23 10 0 1 2 5 13 13 17 14 10 4 40 28 10 23 6 4 7 3 6 9 32 2 1 1 2 1 1 5 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 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 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 4 4 11 39 84 23 22 4 3 1 1 1 1 53 41 2 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 87 86 d 1H J 44 | 80 80 m 2H | 79 78 m 2H | 78 78 m 2H | 76 76 d 1H J 46 | 73 73 m 2H | 29 29 tt 1H J 63 73 | 13 12 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ncc2cncn2c1Nc1ccc(I)cc1F
ir: 10 4 4 3 4 9 11 6 3 4 6 3 2 10 34 11 8 6 4 4 5 6 8 21 14 9 20 34 8 3 6 6 9 4 2 68 0 8 8 4 4 6 5 2 10 6 4 2 3 6 3 4 6 15 27 20 12 9 5 13 5 4 4 5 4 10 11 14 4 3 3 6 3 4 3 3 4 9 5 7 11 9 5 8 9 8 4 4 3 6 4 4 4 4 15 6 12 10 11 9 4 6 4 3 3 3 2 3 4 3 3 4 34 4 2 19 16 6 5 5 3 4 11 9 3 3 5 3 3 3 3 3 3 6 11 15 3 3 3 3 3 3 2 3 3 3 4 7 12 4 4 7 11 9 8 3 3 3 3 3 3 4 3 3 3 3 3 2 3 15 3 4 4 2 3 3 3 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 3 3 3 2 3 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 2 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 3 3 3 2 3 5 5 5 32 100 16 79 12 3 5 6 4 6 25 3 3 3 3 3 3 2 3 3 3 4 4 4 22 10 17 10 8 5 4 4 3 3 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 2 3 2 2 2 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; 1HNMR: 94 93 d 1H J 37 | 89 89 s 1H | 84 83 d 1H J 18 | 77 77 d 1H J 16 | 75 75 m 2H | 72 71 dd 1H J 47 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(Nc2nc(N)ncc2I)CC1
ir: 3 2 3 3 2 2 2 4 5 4 3 2 4 3 2 3 3 3 3 2 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 5 5 6 7 13 7 2 5 4 4 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 4 2 2 2 2 2 3 2 2 3 2 2 2 2 2 2 3 2 2 4 4 7 10 6 4 3 2 4 12 10 3 4 47 2 2 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 3 6 6 3 3 3 2 12 5 4 1 2 6 6 100 6 0 2 3 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 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; 1HNMR: 83 83 s 1H | 63 62 d 1H J 66 | 61 61 s 2H | 40 40 dp 1H J 49 66 | 20 19 dddd 2H J 49 68 86 135 | 17 16 m 2H | 16 14 m 4H | 9 9 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN[C@@H]1C[C@@H](c2c[nH]c3ccccc23)c2ccccc21
ir: 1 1 1 2 6 10 3 1 6 6 2 2 1 3 3 1 2 5 3 2 2 5 7 6 8 10 21 7 2 2 1 1 2 2 5 2 15 11 10 18 24 20 62 100 13 9 10 5 2 4 3 6 6 6 4 2 1 1 1 1 1 3 9 7 4 5 5 3 3 4 3 0 2 3 7 5 2 2 1 3 4 2 1 2 1 3 3 12 6 2 1 1 2 1 0 2 10 2 3 1 1 1 1 3 3 6 5 10 22 19 6 6 4 9 2 4 6 3 4 2 4 8 3 5 4 7 5 1 6 6 6 5 8 11 3 4 9 13 3 3 7 15 7 5 1 1 1 1 2 4 1 12 12 15 2 1 1 0 1 1 2 6 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 5 2 4 2 2 4 32 24 6 7 13 3 2 1 2 1 2 1 1 2 1 1 1 5 7 15 25 26 7 4 4 14 30 20 6 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 0 1 1 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; 1HNMR: 88 88 d 1H J 71 | 78 78 dd 1H J 14 76 | 74 74 m 1H | 73 72 m 5H | 72 71 m 2H | 44 43 m 1H | 41 41 m 1H | 37 36 dq 1H J 46 62 | 24 23 m 4H | 22 22 ddd 1H J 53 60 137
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccs4)cc23)CC1
ir: 10 4 9 3 8 9 10 6 4 6 6 13 5 5 12 17 4 3 2 9 6 4 2 11 3 2 4 4 2 2 5 54 4 5 3 5 4 2 3 4 40 13 47 8 1 5 2 0 1 2 2 1 3 3 1 0 2 2 2 3 2 2 1 1 2 7 11 9 5 5 3 7 8 8 2 1 5 2 7 2 25 15 4 4 4 4 4 41 12 7 4 4 7 4 2 2 6 2 2 2 11 7 3 1 5 10 9 9 8 2 3 2 2 2 2 3 3 3 5 11 5 2 0 3 2 2 0 4 4 3 4 14 3 2 2 5 3 3 2 1 1 1 2 60 2 43 11 2 1 1 1 1 4 4 5 2 2 7 22 18 3 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 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 1 1 1 1 0 1 1 0 1 1 1 1 1 2 2 3 1 2 2 1 1 2 3 5 9 3 4 6 8 9 28 5 3 1 1 1 1 1 1 1 1 1 1 0 5 12 4 2 1 1 2 2 7 32 10 3 4 10 100 6 0 1 1 3 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 1 1; 1HNMR: 84 84 d 1H J 22 | 81 80 s 2H | 80 80 d 1H J 22 | 76 76 dd 1H J 17 50 | 76 75 dd 1H J 17 61 | 72 72 dd 1H J 50 61 | 71 71 m 1H | 34 33 m 4H | 33 32 ddd 2H J 68 95 128 | 30 30 m 1H | 23 22 dddd 2H J 54 69 95 121 | 21 20 dddd 2H J 54 69 93 120 | 14 13 t 3H J 95
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccccc1CNCC(F)(F)F
ir: 2 4 3 4 2 4 4 3 4 3 3 2 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 11 9 5 4 10 9 17 14 52 10 15 12 11 7 6 15 20 11 6 3 0 6 6 10 4 14 15 8 11 5 4 5 7 5 7 4 8 10 4 4 3 2 3 2 2 2 2 2 3 4 3 2 2 3 7 22 15 8 4 3 4 3 3 4 3 8 40 16 14 13 12 20 14 3 10 19 50 37 20 6 13 21 8 4 9 18 3 6 8 7 14 9 4 3 3 2 3 4 7 27 31 14 20 4 7 4 4 7 5 5 3 3 3 7 67 6 4 3 2 2 3 2 1 2 8 5 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 3 2 2 2 2 2 3 2 3 2 3 2 3 3 5 5 7 6 21 58 20 10 5 6 4 4 2 2 3 3 2 2 3 3 3 3 7 14 34 100 19 11 7 4 3 3 2 3 3 2 2 2 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 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 1 1 1 2 1 1 1 2; 1HNMR: 72 72 m 2H | 69 69 td 1H J 11 79 | 69 68 dd 1H J 10 73 | 40 40 dd 2H J 8 47 | 38 37 qd 2H J 54 130 | 38 38 s 3H | 35 34 dddd 1H J 23 47 55 101
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nc(N)n(C)n1
ir: 17 22 17 11 20 21 32 25 27 31 58 46 10 15 6 22 23 19 6 9 9 6 10 10 7 10 8 15 18 9 6 15 18 12 5 16 11 6 6 11 10 5 4 10 6 4 5 13 7 6 11 16 14 10 10 10 10 12 6 24 10 6 7 9 9 5 8 11 4 10 14 11 14 32 16 19 12 5 10 7 11 7 7 14 14 21 82 45 22 11 10 14 8 14 14 9 13 6 5 6 5 4 8 5 2 3 7 5 2 4 7 5 16 21 10 9 19 29 22 10 9 9 17 19 6 7 7 9 4 6 6 5 3 7 6 4 4 9 9 72 82 12 12 21 9 44 65 100 86 33 31 8 11 12 9 2 40 40 10 3 5 6 5 2 4 5 4 1 3 5 3 0 4 6 3 1 3 6 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 1 1 4 4 2 1 4 4 1 2 4 4 1 2 5 4 1 2 5 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 3 5 2 1 4 4 2 1 4 4 2 2 4 4 2 2 5 4 2 2 4 4 2 2 4 5 1 3 5 4 1 3 5 4 2 3 5 4 5 6 8 8 3 6 6 9 5 5 7 4 2 5 8 3 5 4 5 3 2 5 11 16 37 38 44 7 10 7 12 6 3 12 28 30 41 27 15 15 7 7 8 5 4 6 7 4 5 10 8 3 3 7 3 2 4 6 3 2 3 5 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 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; 1HNMR: 64 64 s 2H | 40 40 s 3H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1ccc(C(=O)NN)c2ccccc12
ir: 1 6 6 3 0 3 8 6 1 3 5 3 1 3 4 2 1 3 6 7 1 5 7 4 1 4 6 4 7 8 16 16 3 5 6 1 5 8 14 21 14 20 9 62 34 37 10 10 3 6 5 2 11 10 13 7 3 6 6 8 11 18 34 69 51 35 12 9 5 15 7 5 4 7 3 2 6 5 3 3 6 5 2 9 15 9 14 3 5 6 3 25 26 5 4 4 5 5 1 2 5 3 2 3 5 3 1 4 5 3 1 3 5 3 4 5 9 3 1 3 5 2 2 3 5 2 2 8 8 10 4 15 21 59 37 24 11 1 1 4 4 1 2 5 5 3 9 40 22 17 15 49 9 5 4 4 3 3 4 4 3 0 12 15 3 1 3 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 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 3 1 1 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 4 2 6 9 31 12 26 26 6 3 3 4 3 2 3 4 3 2 6 13 36 12 10 8 4 4 13 100 34 61 31 20 6 5 4 4 2 2 3 3 1 2 3 3 2 2 3 3 2 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 88 88 t 1H J 41 | 85 85 dd 1H J 13 76 | 81 81 m 1H | 80 80 d 1H J 79 | 76 76 td 1H J 14 78 | 76 75 td 1H J 14 78 | 71 71 d 1H J 79 | 44 43 d 2H J 40 | 28 28 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)C(C)N(C(=O)OC(C)(C)C)[C@H]3C(C)C)cc1
ir: 4 8 10 15 2 7 7 4 2 5 11 14 6 2 5 10 16 3 10 8 2 6 5 5 2 3 2 4 2 4 1 2 1 1 4 6 10 10 27 100 24 23 10 1 2 1 2 2 3 3 2 1 1 7 20 5 8 5 1 4 1 3 2 7 8 7 4 4 1 5 1 1 0 1 0 2 1 1 2 8 3 10 9 79 10 1 2 5 5 8 18 3 8 27 7 4 2 3 2 4 1 2 5 2 1 3 10 11 3 4 6 4 1 7 4 3 12 5 15 22 6 15 6 10 15 16 6 6 9 11 11 6 2 6 7 9 2 1 1 1 2 3 7 16 26 7 19 42 4 5 6 69 2 2 2 13 23 1 0 1 1 5 7 2 1 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 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 2 2 1 0 2 2 2 1 2 3 4 7 7 17 14 7 14 22 17 5 4 2 1 3 1 1 0 1 1 1 2 1 2 2 1 1 2 1 2 5 5 22 46 19 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 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 d 1H J 16 | 84 84 m 1H | 82 81 t 1H J 57 | 78 77 m 2H | 75 74 dt 2H J 9 96 | 51 51 m 1H | 49 48 ddt 1H J 15 31 71 | 45 44 dt 2H J 9 58 | 34 33 q 2H J 92 | 24 22 dp 1H J 73 147 | 15 15 d 3H J 62 | 15 14 s 7H | 13 12 t 3H J 92 | 10 10 ddd 6H J 15 73 216
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)C(=O)Nc1ccc2oc3c(c2c1)CCCC3
ir: 2 1 2 8 1 2 2 2 1 2 1 2 2 2 2 3 4 5 11 7 11 6 4 6 3 6 9 3 6 8 5 5 6 10 6 15 15 29 57 26 22 9 7 1 6 7 4 8 8 18 7 7 9 16 33 25 44 6 3 2 3 5 4 3 4 6 4 38 11 6 7 2 2 4 4 15 7 11 5 1 1 1 1 1 2 2 2 2 2 6 2 8 4 4 3 3 1 2 3 2 1 2 5 16 83 11 4 9 7 8 3 4 16 10 15 7 6 5 7 9 10 5 7 3 7 8 5 4 3 2 3 1 1 2 2 2 2 3 2 0 1 72 5 13 21 45 56 23 30 3 7 77 13 2 18 12 4 1 1 1 1 1 5 26 3 0 1 3 1 0 1 2 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 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 4 4 4 6 3 2 4 3 16 32 41 12 29 100 43 14 5 4 3 5 3 2 3 2 1 1 1 2 2 1 5 4 1 7 9 23 50 28 25 21 6 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 95 s 1H | 77 77 d 1H J 21 | 75 74 dd 1H J 22 84 | 73 72 d 1H J 84 | 30 29 m 2H | 28 27 m 2H | 27 26 hept 1H J 66 | 19 18 m 2H | 17 16 m 2H | 12 11 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)C(C)(C)c1c(c3ccc(C#N)cc3n1C)C2=O
ir: 20 10 0 11 21 10 2 13 19 8 2 11 17 11 2 13 17 7 5 13 16 9 17 18 17 6 5 15 15 11 21 16 16 5 7 17 14 4 14 16 12 2 7 16 12 2 21 36 12 1 9 18 10 0 9 100 15 8 11 21 11 5 12 20 12 4 15 50 11 12 19 20 9 9 14 16 10 5 13 16 7 5 14 14 5 5 14 14 5 5 15 13 5 7 15 16 9 24 18 12 3 8 16 16 8 9 19 20 6 15 35 12 2 9 18 10 3 13 24 14 7 14 19 14 4 11 18 7 3 16 20 8 5 14 21 15 24 19 15 7 5 14 14 5 5 15 17 9 7 33 20 8 10 15 23 23 8 15 21 4 8 19 16 4 18 18 11 2 9 17 9 1 9 17 9 2 10 17 8 2 11 17 27 4 11 15 7 4 11 14 7 4 12 14 6 5 13 13 6 5 13 13 5 6 14 12 4 6 14 12 4 7 15 11 3 7 15 11 3 8 16 10 2 8 16 10 2 9 17 9 2 10 16 9 2 10 16 8 3 11 15 7 4 11 14 7 4 12 14 6 5 12 13 6 5 13 13 5 6 13 12 5 6 14 12 5 7 14 11 4 8 17 12 4 9 16 10 4 9 17 11 4 12 24 19 7 39 93 42 18 11 16 10 5 10 15 8 5 11 14 8 5 11 14 7 5 11 13 7 6 12 12 6 6 12 12 6 6 13 11 5 7 13 11 5 7 13 11 5 8 14 10 4 8 14 10 4 9 15 9 3 9 15 9 3 9 15 9 4 10 14 8 4 10 14 8 5 11 13 7 5 11 13 7 6 11 12 7 6 12 12 6 6 12 12 6 7 13 11 5 7 13 11 5 8 13 10 5 8 14 10 4 8 14 10 4 9 14 9 4; 1HNMR: 82 82 m 1H | 79 79 d 1H J 82 | 77 77 m 2H | 70 70 d 1H J 22 | 70 70 dd 1H J 21 81 | 38 38 s 3H | 36 36 s 3H | 17 17 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCC=CCC(=O)O
ir: 2 3 3 2 2 2 3 2 5 8 10 10 7 11 17 4 0 13 25 20 100 56 39 24 12 4 3 5 3 2 1 2 2 1 1 1 1 1 1 1 2 2 2 3 2 0 2 2 2 2 2 6 6 5 6 11 12 25 22 15 12 32 36 14 7 7 22 29 21 35 14 12 17 2 21 27 15 32 49 51 24 12 16 1 10 11 7 1 3 3 3 1 2 4 2 3 3 5 6 3 4 6 5 3 2 1 1 2 2 1 1 2 2 2 6 3 6 4 8 6 12 8 13 10 11 14 9 16 17 23 32 18 17 11 16 9 12 4 4 2 5 3 15 19 12 12 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 2 2 3 4 3 5 10 9 13 4 3 2 2 0 2 3 2 3 18 45 14 12 12 12 38 16 8 7 11 6 6 6 6 4 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 58 57 dtt 1H J 14 71 157 | 56 55 dddd 1H J 13 32 46 152 | 34 34 tdq 2H J 11 33 65 | 31 30 dq 2H J 11 71 | 17 16 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](Cl)C[C@@]21C
ir: 3 2 2 1 3 2 5 2 2 1 1 1 1 1 1 2 3 12 2 4 2 1 7 2 2 2 0 3 7 2 4 1 0 0 1 4 1 1 1 6 7 1 2 1 3 1 2 0 5 1 10 11 1 1 3 0 1 2 5 1 1 1 0 3 2 3 5 2 2 2 2 2 2 2 1 1 3 1 9 6 1 1 2 0 0 0 0 3 2 2 1 2 2 4 4 5 1 3 2 2 2 2 3 4 3 2 1 4 7 2 2 3 2 3 1 3 5 8 2 3 5 7 12 10 14 4 4 4 1 2 3 3 2 4 6 2 3 2 1 2 2 4 7 6 100 10 2 2 1 1 1 1 1 5 0 0 1 0 0 0 0 1 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 1 1 2 2 2 3 5 2 3 7 3 12 6 15 19 11 39 17 2 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 69 68 ddq 1H J 10 20 104 | 64 64 dd 1H J 13 103 | 62 61 q 1H J 10 | 51 50 d 1H J 150 | 49 49 d 1H J 150 | 44 43 dq 1H J 35 70 | 26 26 dddd 1H J 8 49 77 141 | 25 24 dddd 1H J 9 50 77 141 | 24 23 q 2H J 81 | 23 22 m 1H | 22 21 dd 1H J 35 128 | 21 21 s 2H | 20 19 ddq 1H J 15 31 62 | 19 18 m 4H | 17 16 m 1H | 15 14 m 2H | 14 13 m 6H | 12 11 t 3H J 80 | 11 10 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC1=Cc2ccc(CCCC(=O)Nc3ccccc3N)cc2Cc2ccccc21
ir: 0 10 16 15 27 29 5 11 10 10 9 15 7 8 24 17 8 6 12 6 12 16 9 9 6 10 16 9 10 14 14 37 17 15 9 14 16 23 8 9 12 12 50 15 22 7 10 5 12 13 9 7 10 10 3 16 10 3 6 4 5 2 3 16 3 6 13 7 6 3 9 5 4 6 13 14 17 22 10 4 2 2 4 7 3 3 9 12 5 5 3 6 8 6 4 7 7 3 6 2 6 10 3 6 5 14 12 9 2 2 5 2 6 4 5 3 4 4 10 8 8 11 7 4 2 2 4 3 7 4 4 1 3 4 4 6 7 11 17 9 4 4 17 18 27 48 17 48 26 36 44 52 33 13 10 11 22 71 22 8 4 12 1 0 1 1 1 0 1 2 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 1 1 2 2 3 3 2 3 5 2 3 3 3 4 5 12 13 9 59 74 100 19 6 4 2 1 2 2 2 1 1 1 1 1 1 3 3 10 48 16 8 18 13 44 29 16 7 7 14 61 55 13 3 3 1 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 0 0 1 0 0 0 0 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 89 89 s 1H | 76 75 m 2H | 75 74 m 2H | 73 72 m 2H | 72 72 dh 1H J 9 17 | 72 71 m 2H | 71 70 t 1H J 13 | 70 70 m 1H | 69 68 dd 1H J 14 81 | 42 42 s 2H | 42 41 q 2H J 66 | 39 38 d 2H J 13 | 37 37 d 2H J 9 | 27 26 tt 2H J 9 83 | 24 23 t 2H J 85 | 19 18 p 2H J 83 | 13 12 t 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2ccc(CCl)c(Cl)c2)cc1
ir: 3 2 1 4 4 3 4 3 3 2 0 2 3 2 9 5 9 1 2 4 3 2 0 2 2 1 3 4 3 1 1 2 2 1 2 3 2 1 1 2 3 2 5 15 8 7 2 3 2 1 2 5 5 36 22 25 11 49 4 3 2 0 2 2 1 2 2 27 19 33 3 2 1 1 2 3 4 4 2 2 1 1 3 2 1 2 14 4 2 4 11 31 5 4 7 3 1 1 2 2 1 6 3 2 1 3 4 2 1 2 4 2 1 2 4 3 7 3 1 18 2 4 3 2 1 3 3 2 1 2 2 1 1 2 2 1 1 2 2 4 16 16 1 5 4 33 43 0 4 5 12 5 9 10 4 1 1 3 2 1 1 3 2 0 6 3 2 0 1 3 1 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 4 5 3 1 2 3 3 2 4 3 8 6 53 100 54 17 3 4 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 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 75 75 dd 1H J 22 81 | 75 74 m 3H | 74 73 dt 1H J 9 82 | 72 71 m 2H | 47 46 d 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC#Cc1cc(=O)n2nc(SCCCCCC)sc2n1
ir: 3 3 4 11 30 6 5 3 8 6 4 3 2 3 3 3 2 3 3 2 2 5 16 4 3 3 3 3 2 3 3 2 2 3 3 3 3 9 10 9 6 7 6 5 4 4 3 2 3 3 3 6 5 4 3 2 3 3 3 2 3 5 11 4 3 6 8 74 30 23 16 17 6 4 4 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 4 33 5 3 5 7 5 14 10 6 4 4 4 5 16 9 3 5 7 5 9 15 10 6 8 8 6 6 11 4 4 3 11 3 4 3 12 14 3 3 2 3 3 3 5 3 3 2 2 4 12 2 2 4 3 1 2 4 3 0 2 11 6 100 13 0 3 5 3 1 3 3 3 2 3 3 2 2 3 3 3 3 3 3 3 2 3 3 3 3 3 10 3 3 3 3 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 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 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 3 3 5 4 4 5 6 5 5 4 4 5 5 7 5 8 12 19 9 5 5 12 38 5 6 18 4 3 2 3 3 3 3 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 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3; 1HNMR: 62 62 s 1H | 30 30 t 2H J 54 | 19 19 s 2H | 17 16 tt 2H J 54 64 | 14 12 m 7H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCC(=O)Nc1nc2ccc(-c3cnc(Cl)c(N(C)C)c3)cc2s1
ir: 2 2 3 3 4 4 4 3 3 7 6 25 24 4 6 9 7 19 9 8 6 4 7 11 8 5 3 2 3 5 7 4 4 8 4 4 15 19 27 13 4 2 2 2 3 4 5 5 22 2 32 36 6 7 43 20 31 100 21 7 4 2 3 4 3 5 11 48 28 8 4 3 11 7 5 4 4 3 12 15 7 4 38 4 1 4 3 2 13 5 16 10 7 13 5 10 14 4 4 2 2 2 2 3 2 2 2 2 2 4 8 7 7 8 9 7 10 22 25 10 1 6 5 8 7 13 21 19 11 7 3 6 3 3 2 2 1 3 3 2 2 4 4 12 13 13 7 81 70 4 57 49 32 0 17 19 11 4 3 6 2 1 2 2 3 3 2 2 2 2 1 2 1 1 2 2 2 2 2 2 1 1 2 2 2 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 1 2 2 1 2 1 1 1 1 1 1 1 2 1 2 2 2 1 1 2 2 2 1 2 2 1 2 1 2 2 2 3 3 2 2 3 3 1 3 4 5 6 9 15 36 28 24 9 6 3 3 2 3 2 2 2 2 1 2 2 2 2 3 6 4 3 6 7 9 7 48 24 11 6 1 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 1 1 1 2 1 1 1 2 1 1; 1HNMR: 86 85 d 1H J 18 | 82 81 d 1H J 21 | 79 78 d 1H J 74 | 78 77 dd 1H J 21 74 | 75 74 d 1H J 18 | 42 41 s 2H | 34 34 s 3H | 31 30 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC(O)c1cc(Oc2ccccc2)ccc1F
ir: 4 3 4 4 2 4 8 11 4 7 3 4 3 3 3 2 3 3 1 3 2 3 2 4 5 2 2 2 3 5 6 4 3 5 5 5 6 5 3 6 8 7 33 1 6 5 4 2 2 2 3 3 7 21 26 9 6 6 5 5 3 3 4 2 7 6 4 7 40 11 6 7 5 4 3 5 4 5 8 4 6 5 4 5 10 11 51 23 21 31 10 12 6 3 3 3 3 5 8 6 4 4 2 2 2 2 3 3 2 3 6 11 7 3 4 2 3 3 4 4 5 7 3 3 3 3 5 3 2 2 2 2 2 2 5 13 4 2 1 2 3 4 26 22 4 4 5 2 3 87 8 11 5 14 3 2 2 2 3 6 2 2 5 1 2 2 2 1 2 2 2 1 2 2 2 1 2 3 1 26 2 0 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 1 1 2 2 1 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 3 3 2 3 5 6 3 5 7 10 1 28 100 61 15 9 3 8 6 13 6 15 6 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 74 73 m 2H | 72 72 dd 1H J 88 101 | 71 71 m 2H | 70 70 m 2H | 70 69 ddd 1H J 20 35 88 | 59 59 ddd 1H J 7 36 42 | 36 36 d 1H J 44
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=Cc1c(F)cncc1N1CCCCC1
ir: 2 4 11 7 3 3 3 2 0 2 4 3 4 5 21 54 8 15 8 13 34 12 3 3 3 4 2 9 22 5 4 12 7 8 5 3 3 7 11 5 2 2 2 2 3 2 2 9 2 5 6 10 6 3 2 1 1 5 5 15 10 7 2 2 3 2 7 2 4 1 1 1 2 3 2 5 6 3 9 2 1 1 1 1 1 3 3 2 9 35 16 16 42 14 18 7 16 28 6 2 5 3 2 3 4 7 12 10 21 27 28 82 100 8 7 18 6 8 4 4 2 2 1 2 1 1 2 3 2 3 1 9 2 30 8 4 2 1 1 1 1 1 1 1 1 12 49 4 4 1 0 3 8 63 26 0 3 3 3 2 1 6 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 0 1 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 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 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 0 1 1 1 6 2 2 3 5 6 5 5 2 0 1 3 3 44 13 1 2 2 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 84 83 dd 1H J 16 141 | 83 83 d 1H J 18 | 35 34 t 4H J 47 | 18 17 m 5H | 17 15 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(Cl)Cl)c1cc(OC)c(F)cc1F
ir: 2 2 4 6 47 21 6 10 8 2 2 2 1 1 1 1 2 1 1 1 1 2 6 4 3 2 1 1 1 3 2 2 2 3 2 2 2 3 6 4 5 5 4 2 2 2 1 1 1 2 4 3 4 4 2 2 2 2 3 8 4 5 10 4 11 14 9 10 46 2 2 4 5 4 4 16 3 1 1 2 2 7 3 1 1 1 1 1 2 1 1 16 1 2 2 2 7 26 84 7 0 2 2 1 1 1 2 1 1 1 2 5 3 7 3 2 6 4 2 12 4 3 2 2 3 2 4 3 0 2 3 15 5 4 9 100 12 2 0 2 7 1 1 2 2 1 1 5 3 2 3 4 4 6 81 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 1 1 1 2 1 1 2 2 4 4 19 8 15 66 14 4 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 70 m 2H | 43 42 q 2H J 71 | 39 39 s 3H | 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.
CC1(C)[C@H]2CC[C@]1(C)c1c2c(=O)n(-c2ccc(F)cc2F)n1Cc1cccnc1O
ir: 3 4 6 9 3 2 2 2 4 3 5 5 7 9 12 28 10 16 2 4 2 4 2 5 1 2 2 1 5 5 2 3 6 19 48 46 18 11 11 33 20 6 9 4 4 2 8 5 3 0 1 2 1 1 6 5 6 14 4 11 17 5 5 14 17 47 90 22 5 5 9 7 2 1 5 16 9 4 4 3 4 3 2 1 2 3 3 3 1 1 1 4 2 2 2 3 14 8 4 5 2 1 1 1 3 3 3 3 6 3 0 2 4 8 2 3 1 2 5 3 4 1 2 2 2 2 4 10 12 12 62 100 8 6 1 3 3 1 7 15 21 5 3 3 15 3 3 5 15 22 1 4 11 8 41 58 42 8 2 2 1 5 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 1 0 1 1 1 0 1 0 1 0 0 0 0 0 1 0 2 1 1 1 0 0 0 1 1 1 0 1 0 0 1 1 1 1 1 2 1 1 1 2 3 2 2 2 1 2 2 5 3 19 8 12 44 17 5 5 2 1 2 2 2 2 71 50 2 2 2 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 0 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 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; 1HNMR: 79 78 dt 1H J 48 84 | 76 76 ddt 1H J 9 20 84 | 74 74 dd 1H J 22 46 | 70 69 m 3H | 53 52 m 2H | 30 29 m 1H | 19 18 m 2H | 17 16 m 2H | 11 11 s 3H | 10 9 d 5H J 148
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cc(CCNc2nc(Cl)cc(N3CCOCC3)n2)ccn1
ir: 3 4 1 2 6 2 5 3 4 1 6 6 4 6 6 10 2 2 2 1 2 1 2 5 1 2 2 1 1 1 3 2 3 3 1 1 1 0 1 0 0 1 1 1 1 2 2 1 2 3 4 10 24 10 2 8 3 0 3 2 2 2 3 5 14 11 9 6 8 2 2 2 6 4 6 2 8 0 1 1 1 0 1 0 1 1 2 1 7 18 1 1 1 0 1 1 0 1 2 2 1 1 2 1 0 1 1 2 4 5 11 3 3 2 0 0 0 1 1 1 2 3 3 3 5 1 1 2 1 1 0 1 1 1 2 3 5 2 2 1 1 0 0 22 100 6 7 9 23 9 3 3 1 2 1 1 2 6 17 9 5 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 2 1 1 0 0 0 0 1 2 3 4 2 5 9 4 2 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 0 1 1 7 24 4 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; 1HNMR: 83 82 dd 1H J 48 55 | 71 70 ddt 1H J 9 20 55 | 70 69 ddt 1H J 9 18 121 | 59 59 s 1H | 54 53 t 1H J 45 | 38 38 dd 4H J 49 56 | 37 36 td 2H J 46 69 | 36 35 m 4H | 31 31 tt 2H J 9 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1
ir: 2 2 3 2 1 2 5 4 4 5 8 5 11 4 4 1 1 2 2 1 1 3 4 3 4 7 6 1 1 2 2 0 1 4 2 1 1 2 4 5 3 2 2 3 4 4 6 5 4 5 33 31 2 5 10 18 15 5 2 4 7 6 5 3 7 3 2 2 4 5 5 4 7 9 100 19 9 14 3 2 3 2 0 0 3 7 4 1 2 4 3 1 3 2 1 1 9 6 2 35 4 2 1 1 2 5 1 1 2 1 0 2 3 2 1 1 2 2 3 12 9 8 3 2 3 2 3 16 7 10 9 4 4 3 8 29 6 2 2 5 9 32 12 7 7 4 1 2 2 1 1 2 1 2 8 3 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 2 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 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 1 1 1 1 0 1 1 1 0 1 2 3 1 1 2 2 1 2 3 3 1 3 7 11 25 35 9 17 57 30 8 36 12 3 10 7 13 10 18 6 3 2 4 3 2 4 2 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 82 d 1H J 16 | 79 79 d 1H J 20 | 78 78 m 3H | 76 75 d 1H J 84 | 67 67 s 1H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C(c1ccc2nc(NCC(C)(C)C(=O)O)sc2c1)n1ccnc1)N(C)C
ir: 12 11 2 3 13 20 20 14 5 3 2 5 3 4 3 4 5 2 1 1 2 5 4 2 2 5 1 1 2 2 2 1 1 2 5 15 6 1 3 2 2 5 4 1 1 1 1 2 2 3 5 5 3 5 12 2 3 2 4 3 3 2 4 10 6 7 4 4 11 3 2 3 1 5 1 1 1 2 1 2 3 10 5 22 5 16 3 3 7 0 4 3 2 6 17 9 3 3 6 3 0 2 6 19 8 4 2 2 2 1 2 5 2 4 9 6 6 11 11 11 9 14 20 9 10 5 2 3 9 44 6 15 13 4 6 2 1 1 1 0 1 1 2 1 14 4 1 2 1 1 1 1 1 2 10 1 1 0 0 1 0 0 1 1 1 0 0 0 0 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 1 0 1 0 1 1 1 1 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 2 3 7 4 3 2 7 3 3 1 3 4 2 11 21 42 28 20 49 17 100 8 3 7 1 2 6 2 1 1 1 1 1 0 1 0 1 1 1 2 3 12 12 13 7 3 2 1 1 1 1 1 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dt 1H J 10 20 | 76 76 d 1H J 70 | 75 75 m 1H | 73 72 m 2H | 71 70 dd 1H J 16 42 | 68 67 t 1H J 47 | 54 53 m 1H | 40 39 d 2H J 48 | 31 31 m 1H | 23 23 d 6H J 14 | 17 16 dp 1H J 65 112 | 14 13 dp 1H J 65 112 | 13 12 s 5H | 9 9 td 3H J 15 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCc1ccc(C=CC(=O)Nc2cccc(O)c2O)cc1
ir: 0 1 1 0 2 2 4 3 3 6 6 7 5 4 20 12 6 7 2 3 1 2 1 2 1 1 1 2 2 1 3 1 1 2 2 5 14 4 4 1 8 19 1 2 2 3 2 6 9 9 4 2 2 5 8 5 3 5 5 2 1 1 1 3 2 7 2 1 1 3 1 4 2 3 3 11 4 2 1 2 9 5 18 41 12 33 6 1 2 1 1 0 1 1 3 1 2 1 1 3 4 17 3 3 1 1 1 1 1 4 7 2 1 1 0 3 0 2 2 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 2 3 10 1 1 1 1 2 11 25 2 4 13 3 2 2 4 5 3 1 1 1 1 4 4 11 1 1 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 0 3 4 5 3 7 28 23 3 3 2 2 1 9 100 72 17 2 1 2 1 1 0 1 1 1 0 1 1 2 28 10 3 3 1 1 1 0 0 0 0 0 0 1 1 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; 1HNMR: 90 90 s 1H | 89 89 s 1H | 77 76 dd 1H J 12 81 | 75 75 m 1H | 75 74 m 3H | 72 72 m 2H | 70 69 m 1H | 67 66 m 2H | 27 26 tt 2H J 9 75 | 15 14 m 2H | 14 13 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.
CCC1(Cn2cnc3ccc(C#N)cc32)CCCC2(CN(CC(C)(C)C)C(=O)O2)C1
ir: 7 8 11 10 33 13 18 5 11 6 2 3 17 5 4 3 6 4 1 2 5 7 3 3 2 1 1 1 2 1 2 10 4 2 4 3 3 19 10 6 2 0 2 8 3 4 4 4 5 3 2 2 3 23 63 12 9 4 5 3 4 4 10 3 2 2 2 3 7 6 2 4 2 1 5 8 5 2 1 1 1 1 4 14 11 2 1 3 1 1 1 1 1 1 1 5 3 3 8 14 10 16 7 2 1 4 6 5 6 3 4 4 1 6 7 3 3 5 5 18 38 26 22 19 11 2 4 13 4 4 8 4 5 6 2 6 11 5 5 6 2 2 2 1 4 12 9 2 0 12 100 21 4 4 9 1 1 1 1 0 1 1 2 1 0 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 0 0 14 0 1 1 0 0 1 1 1 0 1 0 1 1 1 1 0 1 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 0 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 1 0 0 0 1 0 1 0 1 1 0 1 0 0 1 1 1 1 0 0 1 0 1 1 0 1 1 1 1 1 1 1 1 2 2 5 1 1 7 6 5 1 4 4 4 0 4 23 35 13 11 22 26 11 5 2 2 1 1 1 1 1 0 1 0 1 1 1 0 0 0 1 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 d 1H J 9 | 80 80 d 1H J 21 | 78 78 d 1H J 63 | 78 77 dd 1H J 21 63 | 41 40 dd 1H J 9 143 | 38 38 dd 1H J 9 143 | 36 35 d 1H J 124 | 33 33 d 1H J 125 | 32 32 m 2H | 23 23 d 1H J 135 | 21 20 d 1H J 135 | 20 19 m 1H | 18 15 m 6H | 15 13 m 2H | 10 9 s 8H | 9 8 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.