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COC(=O)c1cccc(OC)c1F
ir: 20 25 31 9 10 4 3 3 14 4 4 5 9 2 0 3 6 3 5 10 10 6 3 4 5 5 2 4 4 1 1 4 4 5 2 6 11 5 9 5 4 0 2 7 8 4 11 25 37 3 5 6 4 1 3 5 2 1 3 4 18 11 3 5 2 3 8 29 12 6 5 5 3 1 6 9 6 6 5 4 2 3 4 4 1 1 3 3 1 1 4 3 1 1 4 5 9 9 7 6 1 2 5 4 0 2 4 3 0 2 5 4 2 3 6 3 5 70 57 8 10 6 6 2 0 3 5 4 1 3 4 2 1 5 30 13 2 5 10 2 25 17 7 3 17 66 54 100 98 6 4 2 2 3 3 1 3 8 6 3 4 3 2 1 2 3 2 1 2 4 2 0 2 4 2 0 2 4 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 4 2 0 2 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 4 3 1 2 4 3 1 2 4 3 0 3 6 4 4 5 9 10 7 34 56 69 11 9 6 4 2 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 77 76 ddd 1H J 17 40 90 | 72 71 t 1H J 91 | 70 70 ddd 1H J 17 37 93 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cnc2c(c1)NC(=O)C1COCCN21
ir: 3 11 9 7 25 5 13 7 6 14 6 2 4 2 2 1 1 2 8 13 9 9 4 3 11 5 5 9 36 32 12 6 19 87 33 15 100 33 30 61 9 1 2 5 5 0 1 3 7 1 1 1 2 4 7 9 3 3 4 18 10 6 3 2 10 1 3 14 9 4 2 2 14 16 25 8 1 1 1 3 0 0 12 2 8 4 1 2 1 1 1 3 8 4 17 9 2 9 7 9 35 22 5 11 27 4 23 17 5 2 1 4 12 13 10 4 32 16 16 5 3 5 4 5 6 8 4 7 6 3 17 39 40 17 6 6 2 7 5 32 54 11 5 2 1 14 3 2 2 2 31 11 11 90 50 5 8 33 11 5 2 3 2 2 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 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 4 4 2 3 3 4 2 4 2 10 6 8 19 5 3 4 2 1 0 1 1 1 1 1 1 1 1 1 4 6 3 3 3 5 14 7 25 88 35 6 6 4 3 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 92 92 s 1H | 86 86 d 1H J 16 | 84 84 d 1H J 18 | 49 48 t 1H J 43 | 43 42 dd 1H J 42 112 | 42 41 ddd 1H J 42 64 143 | 41 40 m 2H | 39 38 m 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1ncc2ccc(-c3cc(=O)n4ncc(-c5ncc(C)o5)c4[nH]3)cc21
ir: 2 5 6 3 0 5 8 3 4 10 5 27 7 15 8 9 12 38 16 9 1 12 17 6 2 4 5 1 1 6 7 2 4 14 6 2 5 5 5 4 2 6 4 6 2 5 4 2 6 6 3 2 5 31 39 51 41 13 5 4 5 8 3 1 10 23 25 42 50 35 8 22 5 8 16 23 28 26 10 1 4 4 2 1 4 4 1 3 5 21 2 7 11 5 4 25 31 12 4 2 5 4 3 5 11 23 17 14 12 40 8 5 7 7 0 7 7 11 17 18 9 11 10 9 12 6 4 11 13 5 3 9 6 21 11 8 13 7 11 17 7 19 4 18 10 2 4 4 4 1 3 6 12 31 20 22 17 61 6 4 6 42 3 5 4 6 30 6 3 0 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 2 0 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 4 3 3 5 6 4 2 2 5 3 2 4 4 3 4 8 10 4 7 26 17 24 51 66 72 38 13 7 9 3 2 4 5 2 1 4 4 2 3 4 4 5 3 7 8 7 11 20 38 100 33 8 10 4 4 6 4 2 3 4 4 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4; 1HNMR: 99 98 s 1H | 82 82 s 1H | 81 80 m 1H | 80 80 d 1H J 22 | 78 78 m 2H | 74 74 s 1H | 59 59 s 1H | 42 41 q 2H J 51 | 25 25 s 3H | 15 15 t 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C[C@H](NO)C(=O)OCC
ir: 12 29 34 30 14 11 17 9 11 7 3 3 4 2 3 4 3 3 3 1 3 2 4 4 11 12 3 2 1 2 2 5 5 7 2 1 1 3 1 2 2 2 3 3 6 11 6 13 10 17 8 7 5 4 2 2 2 4 11 6 18 11 29 53 12 8 10 4 5 5 8 16 39 26 28 8 7 13 26 6 2 2 2 1 2 2 1 2 2 3 5 5 13 14 46 50 89 37 67 25 8 8 7 6 8 11 24 41 21 12 5 5 2 7 8 5 7 16 22 17 10 24 16 7 14 11 12 9 17 8 7 4 5 3 7 4 4 4 3 2 3 7 15 17 12 39 5 6 2 1 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 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 0 0 0 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 3 3 2 4 3 3 5 1 5 3 3 4 8 8 13 17 9 5 1 3 3 2 2 4 5 15 49 100 17 7 4 3 2 3 2 2 5 7 64 9 3 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 1 1 1 1 1 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 d 1H J 35 | 53 52 dd 1H J 35 70 | 42 41 m 3H | 41 41 d 1H J 66 | 41 40 q 1H J 75 | 29 29 dd 1H J 77 170 | 27 26 dd 1H J 77 170 | 13 12 dt 6H J 64 161
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cncc(C#Cc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1
ir: 8 7 13 18 12 6 3 4 3 3 4 5 3 5 4 4 4 5 14 12 5 3 5 4 9 4 4 4 4 6 8 7 11 43 18 4 7 6 9 92 100 45 14 6 8 7 7 9 20 17 14 4 3 4 7 5 3 3 2 2 2 3 3 7 9 8 10 13 27 9 5 4 3 3 3 19 7 8 4 4 7 11 8 3 3 8 3 2 5 12 3 2 3 3 2 2 7 11 5 22 18 2 9 18 8 4 3 3 3 5 7 23 14 19 13 12 10 14 10 4 4 4 4 12 6 9 35 21 20 7 5 2 3 3 3 2 3 4 6 4 17 11 4 5 12 68 23 40 41 5 4 6 8 5 18 21 14 25 23 6 6 5 6 14 3 3 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 4 5 1 5 8 8 4 12 86 28 21 6 0 4 8 4 2 5 4 2 2 3 4 2 2 3 4 2 3 4 5 14 25 10 11 3 2 3 3 3 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3; 1HNMR: 90 90 t 1H J 16 | 89 89 t 1H J 17 | 83 83 s 1H | 83 82 q 2H J 13 | 82 81 ddd 1H J 22 33 58 | 78 78 t 1H J 22 | 77 77 m 2H | 76 76 ddd 1H J 13 22 71 | 73 73 t 1H J 68 | 72 72 ddd 1H J 12 21 66 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Oc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12
ir: 1 2 1 2 1 3 2 3 1 3 2 1 12 5 1 2 1 28 9 6 16 9 26 8 11 2 10 2 4 15 16 7 5 3 2 1 0 2 2 1 1 1 1 2 8 3 5 72 0 1 1 4 4 16 27 7 11 5 7 1 3 3 1 1 3 3 8 31 3 8 10 8 2 3 3 13 4 5 2 2 1 3 6 3 1 3 1 1 4 13 7 8 2 1 7 9 1 1 0 1 1 4 16 1 1 1 3 3 12 2 1 18 4 1 1 1 1 4 17 14 2 2 1 6 2 1 1 4 2 4 4 2 3 3 7 2 5 19 7 6 2 13 1 1 5 1 0 1 1 2 17 6 4 1 2 3 1 11 3 9 2 1 0 1 28 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 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 2 1 1 2 1 1 3 1 1 2 2 3 2 8 14 3 6 100 29 48 6 3 2 3 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 5 12 36 53 16 2 3 3 1 1 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 s 1H | 77 77 dd 1H J 14 80 | 77 76 dd 1H J 70 80 | 75 74 m 3H | 71 71 dd 1H J 20 88 | 68 68 d 1H J 88 | 66 66 d 1H J 22 | 65 65 dd 1H J 14 70 | 51 50 hept 1H J 51 | 43 42 m 4H | 13 12 d 6H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)C(=O)CC1(C)OCCc2c1[nH]c1ccccc21
ir: 5 6 10 4 15 5 2 3 2 6 3 3 6 12 3 6 5 4 10 22 28 19 4 7 3 4 4 7 3 3 4 10 16 6 3 9 14 27 6 7 4 13 100 5 9 10 7 6 9 7 13 0 4 3 4 0 2 4 2 0 3 4 4 1 4 3 3 2 12 4 6 0 3 6 17 2 3 3 1 1 2 3 2 3 3 2 2 2 4 3 2 4 7 3 2 3 11 4 3 4 3 2 1 2 3 5 3 7 5 6 4 8 17 6 9 7 9 7 6 7 11 12 2 9 8 3 4 5 10 28 22 20 8 4 14 6 52 20 16 10 3 2 3 12 6 16 34 93 12 2 2 3 2 7 15 56 5 1 2 2 3 8 2 3 1 0 1 2 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 3 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 2 2 1 1 3 3 2 3 3 4 2 5 5 3 2 4 7 10 11 14 10 7 45 29 9 3 1 2 3 3 2 3 3 2 1 2 3 3 1 3 3 3 1 3 5 4 9 19 15 22 49 10 8 4 3 2 3 2 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 89 89 s 1H | 75 75 m 1H | 73 72 m 1H | 72 71 m 2H | 41 40 ddd 1H J 38 57 110 | 39 38 ddd 1H J 37 57 110 | 34 33 d 1H J 159 | 31 30 d 1H J 159 | 29 28 m 2H | 25 24 s 5H | 17 17 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(/C(C#N)=C/c2ccc(N3CCOCC3)o2)cc1OC
ir: 4 7 3 2 5 3 3 3 2 5 5 7 15 21 9 10 7 6 25 26 14 6 5 6 6 6 5 3 6 5 6 5 13 9 7 3 4 2 6 9 6 3 6 6 7 4 4 2 7 4 3 2 8 26 91 19 24 36 70 35 12 15 7 15 18 22 16 51 60 18 17 11 35 28 18 17 18 20 8 3 3 2 2 4 3 4 8 5 6 6 12 14 10 4 5 3 4 3 7 5 6 4 3 5 37 23 6 4 2 4 4 13 17 19 38 6 15 21 16 5 5 10 12 12 10 44 12 13 12 6 4 6 13 30 23 4 2 2 3 2 3 3 4 23 11 3 3 2 15 9 11 8 23 14 33 25 62 31 6 8 18 4 3 3 12 4 3 2 3 3 2 1 2 3 2 0 3 4 1 0 3 12 94 8 2 1 3 4 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 2 6 5 5 6 4 3 5 5 7 8 18 44 6 66 72 97 100 67 18 13 4 3 4 2 2 3 3 3 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2; 1HNMR: 74 74 s 1H | 73 73 dd 1H J 20 75 | 72 71 d 1H J 21 | 70 70 d 1H J 74 | 68 67 d 1H J 55 | 60 60 d 1H J 55 | 39 38 d 6H J 88 | 38 37 m 4H | 36 35 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(-c2ccc(O)c(F)c2F)cc1F
ir: 5 20 8 1 2 2 0 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 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 4 13 25 4 0 2 1 1 1 1 1 1 1 1 10 8 1 1 1 1 1 2 2 3 10 3 1 1 1 1 1 3 9 26 4 2 3 1 1 1 1 1 1 1 1 1 5 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 2 1 7 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 54 2 1 1 1 1 7 1 3 5 1 2 1 4 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 5 3 3 11 18 12 3 1 2 2 2 2 100 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 75 74 dd 1H J 53 97 | 73 72 m 2H | 71 70 dd 1H J 46 96 | 69 68 dd 1H J 48 97 | 56 55 d 1H J 46 | 40 40 t 2H J 64 | 18 17 p 2H J 66 | 15 14 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.
CCOC(=O)C1C(C)C(O)CN1C(=O)OCc1ccccc1
ir: 11 10 6 11 12 19 100 32 36 39 26 14 13 5 45 21 17 31 44 5 11 9 12 4 3 2 2 4 7 23 5 10 10 6 3 3 1 0 8 19 11 5 2 6 6 3 1 2 5 3 6 5 4 1 7 3 6 4 2 1 1 5 1 7 7 10 6 21 14 10 4 2 9 5 9 11 11 7 5 3 3 3 3 10 4 5 17 36 48 50 22 63 27 62 53 33 11 15 15 6 2 6 18 13 14 7 13 6 2 6 18 3 20 6 13 5 2 6 14 5 5 3 18 10 21 8 12 7 12 12 10 9 43 24 13 27 5 3 1 2 0 4 11 10 30 7 5 3 1 0 32 39 4 1 1 1 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 2 1 0 2 1 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 1 0 0 1 0 1 1 1 3 2 2 1 2 3 3 3 4 2 9 5 5 9 25 3 20 20 40 7 2 4 30 37 14 12 3 5 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 5H | 52 51 s 2H | 42 41 m 4H | 38 37 dd 1H J 37 119 | 36 36 d 1H J 49 | 35 35 dd 1H J 37 117 | 25 24 dp 1H J 63 86 | 13 12 t 3H J 64 | 10 10 dt 3H J 15 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN(CC)CCNC(=O)c1ccc(F)cc1
ir: 2 3 4 3 8 6 1 6 16 7 8 5 5 10 8 4 8 17 10 17 11 27 9 4 3 3 3 3 21 39 8 2 2 1 1 2 3 6 19 100 97 47 18 5 9 10 3 6 10 6 5 3 4 3 5 9 40 19 7 3 3 3 4 4 2 1 3 4 6 37 9 4 3 4 2 1 2 7 19 4 4 6 20 17 4 1 12 26 26 7 6 9 7 6 3 2 4 8 4 3 2 13 20 7 4 2 2 2 1 2 2 3 6 9 6 3 5 13 8 2 3 6 6 8 11 12 9 7 3 6 8 12 5 13 30 34 14 5 9 12 14 20 34 84 65 44 41 2 4 26 30 14 4 2 4 2 3 1 0 1 1 2 8 2 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 0 0 1 1 1 0 1 2 1 1 1 2 1 2 2 3 1 3 3 3 8 10 24 27 36 55 32 10 5 2 2 2 2 2 1 2 1 3 2 3 4 3 2 4 13 4 6 10 9 42 39 14 7 3 3 1 1 2 1 1 1 1 0 0 1 0 0 1 0 1 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 76 76 t 1H J 47 | 74 73 m 2H | 35 35 q 2H J 46 | 29 28 t 2H J 46 | 25 25 q 4H J 69 | 11 11 t 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2nc3cc(F)cc(F)c3c(Nc3cncc(N4CCOCC4)c3)c2C)nc1
ir: 7 6 1 3 4 8 28 8 5 19 14 16 5 9 5 6 21 11 9 6 12 17 6 3 4 5 9 21 8 12 14 14 8 29 22 12 7 10 4 5 5 1 2 5 8 3 2 4 3 2 5 18 19 13 10 8 3 3 4 11 3 2 3 5 4 11 12 50 18 35 14 2 9 18 7 3 4 4 4 10 6 2 2 2 3 4 9 3 5 10 5 2 3 2 5 5 3 3 7 7 4 2 3 10 8 15 8 6 4 3 3 10 17 17 8 4 29 16 5 5 6 6 11 6 4 22 27 5 2 3 4 37 4 6 5 11 5 2 3 15 9 2 2 42 20 4 3 3 4 24 7 8 17 7 7 2 1 4 25 15 39 18 4 8 34 100 4 0 2 3 2 0 1 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 2 1 1 2 2 2 3 3 2 2 2 3 2 2 2 2 2 2 3 5 12 5 26 21 48 3 3 7 3 2 2 3 2 1 2 2 2 1 2 2 2 1 2 3 3 7 14 14 77 12 25 7 2 2 3 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 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 85 84 m 2H | 81 80 t 1H J 17 | 79 79 d 1H J 85 | 79 78 t 1H J 17 | 75 75 dd 1H J 21 122 | 74 73 m 1H | 70 70 td 1H J 22 121 | 67 66 t 1H J 17 | 38 37 m 4H | 34 34 m 4H | 25 24 s 2H | 24 23 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1cn(-c2nc(NC(=O)c3cccnc3)cs2)c2cc(Cl)ccc12
ir: 3 6 5 6 5 5 10 3 5 3 3 4 2 4 8 13 2 3 3 3 5 16 11 14 7 3 4 10 10 5 3 6 12 1 58 9 6 22 96 10 6 2 4 9 22 17 14 8 18 6 4 4 2 2 15 14 34 19 4 8 6 4 2 7 5 8 24 61 18 5 22 1 11 4 5 10 7 3 4 6 10 7 3 12 19 8 7 5 4 3 2 2 5 3 1 1 9 4 0 2 3 9 3 3 5 15 21 12 6 8 7 6 2 34 10 7 12 4 15 8 4 4 4 7 4 5 1 6 7 4 8 9 3 5 8 13 10 50 65 7 6 2 1 4 14 15 23 49 55 16 4 25 11 7 8 63 12 5 5 2 35 46 14 5 2 0 2 2 1 0 1 3 1 0 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 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 1 1 1 2 5 1 1 3 2 2 3 2 5 4 4 7 7 5 15 19 43 100 90 36 45 25 9 6 2 0 3 3 1 0 3 3 1 1 7 11 4 3 4 5 10 63 53 23 7 5 4 3 2 2 2 2 1 1 2 2 1 1 2 1 1 1 2 2 0 1 2 1 1 2 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 99 99 s 1H | 92 91 t 1H J 17 | 87 87 ddd 1H J 16 26 45 | 83 82 m 1H | 78 77 d 1H J 22 | 77 77 d 1H J 80 | 75 75 s 1H | 75 74 dd 1H J 48 79 | 74 73 s 1H | 73 72 dd 1H J 22 81 | 27 26 dd 2H J 9 64 | 20 18 m 1H | 9 9 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C(=O)Oc1ccc(NC(=O)c2ccc(CCl)cc2)cn1)c1ccccc1
ir: 9 4 5 7 6 5 4 1 3 3 3 4 10 18 2 3 5 2 4 3 2 1 0 3 3 2 1 2 8 3 10 38 24 19 19 2 5 8 32 32 100 44 48 18 7 3 7 9 5 7 4 11 6 13 74 12 26 13 6 2 2 1 1 2 1 1 1 5 7 5 7 2 1 2 4 2 6 4 4 3 2 1 1 1 0 0 1 2 9 3 6 11 2 4 2 1 1 2 3 4 2 1 2 3 10 13 2 2 4 4 5 14 4 3 2 1 1 3 2 2 5 2 5 6 13 12 8 3 2 1 3 5 5 3 9 9 11 12 3 3 4 4 54 30 34 34 5 3 5 34 31 42 20 7 14 5 3 0 1 2 12 2 2 5 1 1 1 1 1 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 1 1 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 2 1 1 3 2 7 10 19 57 98 50 18 14 5 5 3 2 1 1 2 1 1 2 1 1 1 1 1 1 2 5 4 31 53 47 10 2 2 1 0 1 1 0 0 1 1 0 0 0 0 0 1 1 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 d 1H J 19 | 80 79 dd 1H J 19 87 | 78 78 m 2H | 75 74 m 5H | 74 73 m 2H | 71 71 m 1H | 71 70 d 1H J 88 | 46 46 t 2H J 9 | 33 33 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Oc2ccccc2Cl)cc1C=O
ir: 1 2 3 2 3 6 6 3 1 2 4 3 2 3 3 1 1 2 3 2 2 3 4 3 4 3 3 2 5 4 6 1 2 3 4 3 3 4 5 7 4 4 35 100 17 8 5 0 3 4 2 0 3 25 46 19 3 6 3 1 14 62 17 7 8 4 5 3 7 7 7 2 2 3 6 7 3 2 2 2 3 5 3 2 2 7 5 7 4 6 2 2 3 2 2 2 3 2 1 2 4 3 8 20 6 3 1 5 10 30 2 2 3 2 1 4 4 2 2 3 8 3 1 2 3 2 9 4 3 2 1 2 3 2 1 6 20 16 15 20 17 1 1 4 4 1 3 37 39 27 6 4 5 14 5 4 3 11 16 3 2 2 3 4 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 3 1 2 2 2 1 2 3 2 2 2 3 3 3 8 9 30 98 62 14 4 1 3 3 2 1 2 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 74 74 dd 1H J 14 79 | 73 73 m 2H | 71 70 dd 1H J 13 78 | 70 70 m 4H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
ir: 13 3 0 5 7 4 2 6 7 13 5 5 4 3 1 6 8 8 3 3 3 2 2 3 5 3 2 17 18 7 5 4 3 2 2 3 3 2 3 3 2 3 3 4 11 5 9 35 5 6 18 10 4 2 39 3 3 1 2 4 6 2 5 5 4 1 3 11 13 20 28 8 2 6 5 4 2 4 13 6 2 7 15 4 1 7 3 2 2 1 3 4 9 5 4 3 3 11 8 16 6 9 9 4 1 3 9 4 1 2 5 8 3 3 4 4 18 6 8 10 5 6 5 10 4 5 6 10 2 5 4 2 6 3 2 2 1 3 2 3 8 27 5 12 44 5 4 2 3 16 8 4 30 21 17 7 2 3 38 24 2 3 3 3 2 3 2 1 2 7 2 1 2 6 1 1 2 3 2 5 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 3 2 1 2 3 4 5 3 3 2 2 3 7 3 5 5 5 2 4 14 17 10 31 100 65 17 8 8 2 1 2 3 3 1 2 3 1 2 2 3 3 3 3 3 3 3 5 37 30 7 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 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 92 91 dd 1H J 13 68 | 88 87 dd 1H J 13 69 | 85 85 s 1H | 76 76 d 1H J 24 | 74 73 dd 1H J 26 84 | 73 72 t 1H J 70 | 70 69 d 1H J 84 | 39 39 s 3H | 27 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C2CC(C)(C)Oc3ccc(C#N)cc32)nc1
ir: 7 14 5 11 26 11 3 2 7 4 2 5 7 3 1 7 2 1 1 4 5 1 1 3 3 17 5 5 12 2 2 3 2 9 3 14 38 20 50 5 9 2 2 5 9 2 2 1 2 1 1 1 3 5 47 100 28 7 6 4 3 2 2 2 2 1 1 2 6 11 25 2 2 4 1 5 2 3 1 11 3 1 1 1 1 5 2 5 4 3 6 12 11 7 8 3 7 3 1 1 2 4 2 2 5 2 15 2 2 2 3 4 3 1 0 35 15 7 13 9 7 17 4 3 5 8 4 1 3 5 13 4 14 4 2 2 2 6 42 6 4 6 7 76 10 0 2 3 4 65 11 7 40 38 30 3 2 2 1 1 5 49 7 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 2 11 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 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 1 2 2 1 1 2 4 4 3 3 3 6 1 5 12 16 7 39 73 31 18 14 3 3 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 90 d 1H J 19 | 81 81 dd 1H J 20 81 | 77 76 m 1H | 76 75 dd 1H J 21 78 | 75 75 m 1H | 71 70 d 1H J 79 | 45 44 tt 1H J 8 62 | 39 39 s 3H | 24 23 dd 1H J 62 154 | 22 21 dd 1H J 62 154 | 14 13 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(CC(C)C)n2ncc(Br)c2n1
ir: 4 2 0 3 5 5 5 5 4 4 8 36 32 12 4 3 7 29 13 4 4 2 3 5 14 3 1 5 10 11 8 9 13 16 2 3 3 1 1 3 3 2 2 5 3 1 2 3 2 1 2 3 2 1 3 6 7 5 3 14 4 1 3 5 2 1 2 4 3 2 4 6 2 15 30 45 14 5 6 6 4 4 3 3 2 1 3 3 2 1 3 5 11 16 5 9 7 3 9 4 2 3 9 14 21 21 32 22 8 15 28 31 12 18 43 5 8 13 6 5 3 6 6 5 3 5 8 7 5 14 14 8 1 4 6 2 3 69 53 7 8 3 3 3 2 2 2 5 46 25 6 15 10 4 3 1 2 3 3 100 67 10 2 0 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 3 5 6 5 4 5 4 5 5 2 3 6 7 4 12 21 14 7 5 12 19 34 10 4 2 1 2 3 2 1 2 3 2 2 3 2 1 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1; 1HNMR: 78 78 s 1H | 67 67 h 1H J 10 | 29 28 dd 2H J 13 62 | 27 26 d 3H J 10 | 23 22 dp 1H J 63 126 | 10 9 d 6H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc(C(=O)O)c1Oc1ccccc1
ir: 8 4 1 4 6 3 1 6 7 10 5 7 17 8 5 15 18 10 0 22 31 57 24 5 4 4 7 31 24 10 8 8 6 15 5 10 9 13 9 13 10 48 19 10 8 9 5 5 5 4 4 5 4 3 4 4 4 3 4 4 4 3 4 5 5 3 6 6 14 9 5 6 4 5 4 13 30 100 34 11 4 4 6 9 6 3 5 5 3 5 13 5 3 5 6 4 4 17 6 4 2 3 5 4 2 3 6 4 2 3 5 4 2 4 8 5 2 4 5 4 3 7 13 26 5 5 5 4 3 6 5 3 3 4 5 22 8 16 7 39 9 9 9 17 10 7 5 3 4 5 6 7 16 16 6 6 10 20 5 5 4 5 4 2 3 5 4 2 3 5 3 2 3 5 3 3 5 5 3 2 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 4 6 4 4 3 3 4 4 3 3 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 5 3 2 4 5 4 3 4 4 3 2 4 4 3 2 4 4 3 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 3 5 4 3 4 5 4 3 5 7 6 7 21 43 14 8 9 6 4 3 5 7 99 93 37 5 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 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 2 3 4 3 2; 1HNMR: 79 79 s 1H | 74 74 m 2H | 71 71 m 2H | 70 70 tt 1H J 14 74 | 37 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(C)Cc1cnc(CCc2ccc(Br)cc2)n1C(=O)OC(C)(C)C
ir: 3 4 2 4 6 5 12 8 8 10 10 6 36 29 15 33 28 7 1 3 4 9 11 18 2 5 1 9 1 1 1 1 1 2 5 3 2 1 4 5 3 5 5 8 5 8 4 2 4 3 3 11 13 40 53 14 14 8 8 2 5 8 5 3 12 4 6 4 6 9 5 2 4 1 2 7 1 0 1 1 1 1 1 0 1 3 2 0 1 2 2 13 18 6 2 9 2 4 4 10 4 3 6 13 6 14 8 9 8 4 4 4 22 36 8 21 31 11 6 20 16 18 3 20 7 10 7 9 9 14 26 100 45 14 8 11 18 3 4 2 3 3 9 5 5 7 38 14 7 4 6 53 23 3 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 1 2 3 6 8 5 4 8 4 10 4 5 8 6 3 12 34 76 20 41 97 25 12 10 14 2 3 3 2 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 2H | 72 72 dt 2H J 9 83 | 65 65 d 1H J 9 | 31 30 td 2H J 7 64 | 30 29 tq 2H J 8 65 | 27 27 d 2H J 7 | 16 16 s 8H | 14 13 q 2H J 79 | 9 9 s 5H | 9 8 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)O)cc(C(C)(C)C)c1O
ir: 2 1 0 1 1 1 1 1 1 1 1 5 5 2 2 4 2 3 4 6 5 16 100 7 1 2 3 1 5 2 1 0 0 2 2 1 0 1 2 2 2 1 1 0 0 1 1 1 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 3 4 8 2 3 2 1 1 4 2 2 0 1 2 29 5 4 8 16 2 9 7 1 0 1 3 1 1 7 5 3 0 1 1 1 0 0 2 5 4 1 1 1 2 1 1 0 0 0 1 0 0 1 2 2 1 4 5 1 2 1 1 1 1 1 2 2 2 2 2 2 0 1 0 1 1 2 1 8 1 1 1 1 11 5 1 6 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 1 0 0 0 1 0 0 0 1 1 3 4 2 1 15 16 1 1 0 1 1 3 3 28 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 20 | 77 76 d 1H J 22 | 49 48 s 1H | 23 22 s 3H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)N1C(=O)C(NCCCOc2ccc(Cl)cc2)=C(c2ccccc2)S1(=O)=O
ir: 24 9 8 5 5 4 3 6 9 10 25 37 25 24 8 10 47 40 17 31 13 66 50 35 16 33 17 12 24 16 27 33 51 40 14 26 7 20 6 31 29 10 12 14 4 4 2 6 3 5 13 10 17 33 31 27 17 14 6 5 6 16 29 7 20 13 8 13 16 16 7 10 5 9 5 20 5 16 23 21 10 8 8 18 50 24 37 2 5 4 1 1 3 3 2 4 3 4 2 2 2 1 1 1 4 20 31 5 5 12 4 8 2 3 5 9 13 6 17 15 24 45 51 26 30 31 39 18 11 22 20 30 5 17 23 81 13 5 1 29 7 7 10 73 76 42 58 50 77 54 3 50 14 7 3 6 34 1 1 2 3 25 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 2 0 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 4 3 5 2 4 2 2 3 5 2 6 12 7 55 22 36 100 51 50 15 13 4 4 3 2 4 3 2 0 2 3 2 1 4 5 8 5 10 16 49 96 46 46 32 27 9 8 6 4 2 2 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 t 1H J 49 | 77 76 m 2H | 76 75 m 2H | 75 74 m 1H | 73 73 m 2H | 69 69 m 2H | 41 40 t 2H J 59 | 33 33 td 2H J 50 61 | 21 20 p 2H J 60 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCN1CCC(Oc2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1
ir: 7 3 1 2 2 3 6 3 4 12 3 17 3 3 7 13 2 3 4 2 2 1 1 3 18 8 3 2 2 3 9 5 1 1 1 1 17 2 1 3 1 4 1 3 9 49 10 2 1 6 3 0 1 7 11 2 1 1 1 1 1 2 3 7 7 4 2 3 11 5 7 5 9 19 8 2 3 3 2 2 7 9 4 13 27 30 13 5 4 2 2 1 4 6 7 2 11 3 3 2 2 1 3 2 3 7 8 24 28 7 4 3 4 2 2 1 2 2 2 2 4 2 1 3 2 2 1 2 4 1 2 2 2 3 4 5 4 3 3 2 1 1 0 2 3 2 3 6 6 2 2 6 17 1 2 8 9 7 5 1 1 0 1 2 1 1 1 1 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 1 1 1 1 1 2 2 2 1 1 1 1 1 0 2 7 10 1 14 27 100 17 4 1 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 2 5 37 3 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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: 86 85 m 1H | 81 81 dd 1H J 15 84 | 80 79 ddt 2H J 15 76 203 | 77 77 dd 1H J 76 83 | 77 76 d 1H J 82 | 76 75 m 3H | 69 69 dd 1H J 27 81 | 44 44 p 1H J 46 | 29 28 ddd 2H J 56 82 121 | 27 26 ddd 2H J 56 83 121 | 25 24 t 2H J 65 | 21 20 dddd 2H J 45 56 84 129 | 19 18 dddd 2H J 44 57 84 128 | 15 15 p 2H J 67 | 14 13 m 2H | 10 9 t 3H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(NC(=S)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1Cl
ir: 4 5 7 11 9 5 5 5 4 5 5 6 5 9 5 9 5 5 6 6 6 5 5 6 7 8 9 26 12 11 11 18 41 32 21 11 19 13 20 19 8 6 5 4 4 5 5 5 6 10 19 18 16 100 20 16 7 5 5 7 6 7 8 8 6 12 8 23 11 16 7 8 6 5 5 4 5 5 5 5 18 6 5 6 5 5 6 5 5 5 8 6 9 7 5 5 5 8 5 7 8 9 9 5 6 16 10 6 10 5 6 6 8 5 5 6 7 8 6 10 8 17 16 16 10 10 10 7 22 5 5 5 5 5 10 9 5 7 31 4 4 11 100 8 19 18 13 10 8 31 38 14 12 8 25 11 7 0 29 39 7 12 13 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 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 5 5 5 5 5 5 9 5 5 6 5 7 6 5 9 12 16 21 45 25 9 7 6 6 5 5 4 5 5 6 4 5 5 4 4 5 5 5 5 9 9 13 43 49 12 9 5 5 5 6 5 5 4 4 4 4 4 5 4 6 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 91 90 s 1H | 81 80 t 1H J 49 | 78 78 d 1H J 89 | 76 75 d 1H J 21 | 75 75 dd 1H J 21 78 | 73 73 ddt 1H J 9 20 90 | 72 72 dp 1H J 9 18 | 72 71 dq 1H J 10 77 | 48 47 dt 2H J 9 51 | 46 45 m 2H | 45 45 dd 1H J 10 135 | 27 26 ddd 1H J 53 81 154 | 25 25 ddd 1H J 53 81 152 | 23 22 ddt 1H J 56 81 136 | 22 22 d 3H J 11 | 17 16 ddt 1H J 56 81 136
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(N(Cc2ccccc2)c2cncnc2)cc1
ir: 3 4 4 4 3 5 6 4 4 4 4 3 3 4 4 4 7 3 3 4 3 5 4 14 5 9 37 8 7 6 9 8 7 32 23 25 83 15 18 13 54 11 4 7 5 6 4 4 4 4 4 3 3 4 4 6 18 12 5 4 4 4 4 3 4 4 4 4 6 11 5 4 4 4 4 4 5 5 7 5 5 7 5 6 4 4 5 7 9 23 8 5 3 3 4 4 4 5 4 4 5 4 4 4 4 5 5 10 26 12 7 7 9 17 15 9 6 4 4 5 5 5 9 5 5 4 5 5 5 5 4 4 6 8 9 6 17 5 4 4 4 5 11 15 11 10 8 62 47 4 4 14 15 4 4 21 9 5 4 4 7 5 5 7 3 4 3 3 3 3 3 4 3 3 3 4 3 3 3 4 3 1 36 0 4 4 3 3 4 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 3 4 3 4 3 4 5 8 12 12 100 29 9 5 6 5 5 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 89 88 t 1H J 17 | 86 86 d 2H J 18 | 76 75 m 2H | 73 72 m 5H | 72 71 m 2H | 48 47 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=Cc1ccc2c(c1)CCc1c-2noc1-c1ccc(OC(F)(F)F)cc1
ir: 3 5 4 1 3 4 4 2 4 3 1 3 1 5 15 7 15 23 29 20 8 7 5 2 2 8 6 4 4 4 3 5 3 3 2 1 2 1 1 1 1 0 0 2 1 0 1 1 1 0 2 3 2 0 61 29 42 25 9 1 2 4 1 3 3 0 14 7 14 43 8 9 7 2 1 1 1 1 1 1 2 2 3 1 2 4 1 1 1 7 3 3 12 15 25 56 10 6 46 33 19 63 15 9 7 3 1 3 8 11 1 5 4 5 4 2 4 9 5 2 10 5 17 8 6 11 4 11 8 7 12 4 1 1 1 1 5 9 18 10 6 6 9 38 16 4 3 3 3 4 10 23 22 13 17 12 7 2 3 0 1 1 2 8 9 6 1 0 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 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 1 0 0 0 1 0 1 1 1 1 1 2 2 3 1 3 2 2 2 8 7 5 4 9 40 55 100 72 35 13 9 5 2 4 4 2 1 1 1 0 1 2 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 s 1H | 76 76 m 2H | 75 74 dd 1H J 19 75 | 74 74 m 1H | 73 72 m 2H | 68 67 dd 1H J 108 163 | 57 57 dd 1H J 26 108 | 54 54 dd 1H J 27 162 | 32 31 dd 2H J 67 76 | 29 29 ddd 2H J 9 67 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nc(SC)nc(N)c1Cl
ir: 7 4 6 5 5 4 3 2 2 3 5 3 2 2 1 1 2 2 1 3 16 13 5 1 1 5 1 1 2 1 2 1 3 4 1 1 1 2 3 3 31 25 6 1 2 3 2 2 1 1 1 3 1 1 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 3 4 2 1 1 1 0 1 1 0 0 1 1 3 1 1 1 1 0 1 3 2 1 1 1 0 0 1 1 0 1 1 1 1 3 2 2 1 2 1 1 2 2 2 10 1 1 1 1 1 8 2 2 1 2 1 1 1 1 1 1 1 1 1 1 20 4 2 3 3 3 12 3 3 12 8 10 10 15 23 54 14 3 7 3 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 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 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 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 1 0 1 19 9 1 1 1 1 1 0 1 2 2 1 3 100 1 3 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 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 63 63 s 2H | 39 39 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C#Cc1ccc(OCCCN2CC3CCC2CC3)cc1
ir: 11 20 25 17 12 16 14 14 10 8 7 6 2 5 4 2 3 11 8 4 4 4 2 1 1 3 5 3 1 2 2 2 1 3 2 0 1 3 3 3 13 22 16 11 17 10 7 2 6 4 3 6 4 23 14 36 34 9 14 8 5 2 3 11 4 3 6 15 6 15 10 7 9 13 9 13 6 5 1 5 14 82 14 4 3 5 6 20 21 9 16 6 4 18 9 11 8 18 13 12 4 14 7 4 4 3 4 13 14 12 4 6 8 25 34 14 10 8 3 4 9 6 10 6 6 11 6 6 4 4 0 3 3 2 2 5 9 5 4 4 21 87 45 10 5 4 11 74 40 8 5 7 8 2 2 3 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 0 40 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 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 2 1 2 2 2 1 3 5 6 6 9 6 3 1 6 5 10 13 41 35 48 100 62 11 7 4 3 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 75 74 m 2H | 69 69 m 2H | 43 42 q 2H J 55 | 41 40 t 2H J 63 | 28 28 p 1H J 49 | 28 27 m 2H | 27 27 t 2H J 69 | 20 19 m 2H | 18 17 m 6H | 15 14 m 4H | 13 12 t 3H J 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=NC(=O)C(C)(C)C)N1Cc2ccccc2-c2ccccc2C1
ir: 3 2 4 4 4 9 11 1 3 7 2 3 2 5 3 3 3 1 2 1 2 1 2 8 3 2 1 2 7 2 2 10 5 1 1 3 1 1 2 1 2 10 88 17 3 0 1 1 5 1 1 2 1 0 2 3 8 1 2 1 1 2 3 3 1 0 1 1 1 1 1 2 5 7 5 25 4 1 1 0 1 1 1 5 1 1 2 2 3 6 2 22 7 3 4 3 1 1 2 2 2 2 3 2 1 1 1 1 0 1 1 2 4 8 6 2 6 2 3 3 5 12 26 12 3 5 1 3 11 6 3 1 6 6 24 12 15 8 14 3 7 13 37 10 1 1 2 27 55 10 2 2 1 1 1 1 0 1 1 1 2 2 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 3 4 10 3 20 100 34 5 2 2 1 1 1 1 1 1 1 0 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 78 dd 2H J 11 71 | 74 73 m 3H | 74 73 m 3H | 74 73 dd 1H J 11 80 | 48 48 d 4H J 6 | 42 42 q 2H J 61 | 14 13 t 3H J 62 | 13 12 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc2c3c(c1)c1c(n3CC2)CCCCCC1
ir: 10 7 8 7 11 4 3 7 1 4 2 3 2 2 2 1 2 2 2 1 3 3 2 1 2 1 1 1 1 2 1 2 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 4 3 7 6 1 4 2 1 1 1 0 1 1 1 1 1 2 6 17 1 1 1 1 1 1 1 1 1 1 2 1 3 3 4 1 1 1 1 4 1 1 1 2 1 1 1 1 1 3 5 2 2 3 3 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 3 5 18 55 8 4 1 1 1 0 2 82 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 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 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 4 7 9 3 3 23 6 2 1 1 1 1 1 0 1 1 0 0 1 1 0 0 3 30 66 2 1 1 1 1 1 1 0 1 4 84 100 5 0 1 1 1 0 1 1 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 3 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 70 70 d 1H J 22 | 65 65 dt 1H J 9 20 | 45 44 s 2H | 42 42 m 2H | 30 30 ddd 2H J 9 35 40 | 29 29 t 2H J 74 | 26 26 m 2H | 17 15 m 6H | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(P(C)(C)=O)cnc1Nc1nc(Cl)ncc1Cl
ir: 4 6 8 8 4 4 6 5 5 5 5 7 15 16 5 12 18 6 3 6 11 7 6 6 6 8 7 9 8 6 5 4 6 10 26 43 11 15 10 11 13 17 12 9 8 4 4 6 5 3 4 5 4 3 4 6 5 4 5 5 4 4 4 6 5 7 8 9 11 19 8 7 6 5 5 5 4 8 16 16 21 7 5 6 4 4 4 4 4 4 5 4 5 6 8 5 3 4 6 7 8 4 4 5 5 12 6 5 0 28 2 4 4 6 13 11 6 9 8 10 24 18 14 10 6 5 5 6 4 4 7 5 4 3 3 5 20 9 3 7 8 100 19 4 11 7 28 19 4 6 5 5 8 6 6 5 10 7 33 10 7 5 4 3 3 4 3 3 3 4 4 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 5 6 5 5 4 4 3 4 4 5 4 6 5 7 10 8 7 8 5 8 7 5 4 4 5 4 4 4 4 4 3 4 4 4 3 4 4 4 4 4 5 4 5 9 7 15 19 16 6 5 5 5 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3; 1HNMR: 85 85 d 2H J 55 | 79 79 s 1H | 41 41 s 3H | 21 20 d 6H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCC=O
ir: 9 9 2 4 9 8 9 4 8 4 2 3 4 2 2 6 5 2 2 6 10 5 3 15 16 11 6 3 4 2 1 3 3 2 2 3 3 4 5 7 5 6 7 4 4 8 4 5 4 4 4 7 6 4 5 5 7 3 9 8 5 0 9 7 7 7 6 21 12 17 7 4 5 4 5 3 3 1 2 3 1 1 2 3 1 1 3 2 1 1 4 5 2 2 6 3 5 6 9 10 13 17 17 8 4 8 9 6 7 18 20 32 11 5 10 6 0 19 17 11 30 17 13 12 18 24 18 10 9 9 8 8 6 13 7 5 2 6 4 2 6 8 15 77 23 49 23 45 100 34 8 6 7 4 3 3 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 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 2 4 4 3 5 7 8 9 13 17 6 6 5 4 4 4 2 31 20 11 26 4 4 2 2 2 3 2 2 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 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1; 1HNMR: 98 97 tt 1H J 9 55 | 37 36 s 2H | 25 24 m 4H | 20 19 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCOc1ccc(N=C=O)cc1
ir: 11 8 7 9 8 7 10 9 16 12 12 10 9 8 7 8 9 9 6 8 6 8 7 7 7 6 7 8 8 7 8 7 8 7 6 8 8 8 11 12 9 9 9 8 9 8 7 6 7 7 9 7 10 23 21 34 51 34 11 7 7 6 7 7 7 5 7 13 7 17 8 10 9 6 6 6 5 6 6 6 5 5 6 6 5 6 10 11 12 6 6 5 6 6 7 6 6 5 5 6 5 5 5 6 9 14 19 15 11 8 9 9 11 7 7 8 6 8 11 19 6 7 9 6 5 6 6 5 5 6 6 5 5 5 5 5 5 6 5 5 5 5 5 5 5 5 7 32 15 9 10 14 11 9 7 5 6 7 6 4 5 7 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 7 5 3 5 7 4 3 7 10 5 0 19 100 14 14 6 4 6 6 4 4 6 6 4 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 8 10 9 7 9 7 6 6 7 10 10 13 24 33 34 65 24 7 10 8 6 5 6 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 70 70 m 2H | 69 68 m 2H | 40 40 t 2H J 63 | 18 17 tt 2H J 63 74 | 15 14 m 2H | 13 12 m 20H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC(F)(F)C(O)CCC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@@H](OC2CCCCO2)C[C@H]1O
ir: 6 3 4 4 2 2 4 5 3 4 1 2 3 4 3 2 0 1 1 1 1 2 2 5 2 1 1 3 1 1 1 1 0 1 1 0 1 3 4 2 4 1 2 2 1 0 2 1 2 1 1 1 1 1 1 1 2 2 2 1 2 1 2 3 1 1 1 1 2 1 4 8 3 7 2 2 3 4 3 4 3 7 6 3 7 8 27 45 13 4 2 3 3 2 3 1 1 2 1 4 8 3 3 2 3 4 3 2 1 1 2 5 3 4 6 5 4 3 5 5 9 11 5 4 3 5 4 2 2 1 3 5 3 1 2 1 1 1 1 2 3 1 1 3 10 2 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 3 2 2 2 5 4 1 1 2 2 5 6 15 15 7 6 6 3 1 3 2 2 4 26 100 13 9 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 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 0 0 0 0; 1HNMR: 55 54 ddddd 1H J 8 17 31 68 77 | 54 53 tddd 1H J 16 34 72 88 | 48 47 t 1H J 34 | 41 41 m 1H | 40 38 m 4H | 37 36 s 2H | 35 35 m 1H | 31 31 d 1H J 51 | 24 23 t 2H J 86 | 23 22 m 1H | 22 13 m 25H | 11 10 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN[C@H](CN1CC[C@H](O)C1)c1cccc(-c2nccn2CC2CC2)c1
ir: 2 2 10 7 11 7 6 2 3 2 3 2 1 5 3 2 2 1 4 2 3 7 4 3 1 4 4 1 1 2 1 1 13 16 3 6 13 19 31 35 14 13 8 4 5 4 8 11 14 10 3 2 2 2 4 11 1 3 2 4 7 4 1 4 4 4 5 3 8 10 5 1 3 7 3 2 6 1 3 16 7 7 6 15 7 61 15 16 14 17 9 7 5 8 6 9 4 8 2 2 4 5 4 3 7 6 6 32 5 2 4 2 4 7 8 10 16 5 7 8 2 24 17 22 23 8 6 8 4 7 13 13 12 13 10 6 11 4 10 47 6 11 4 2 6 7 4 5 2 2 3 2 7 2 1 2 3 1 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 3 1 2 2 4 3 2 4 5 4 3 3 7 6 8 14 11 3 33 17 4 9 13 7 7 21 100 15 6 4 5 6 5 4 4 5 5 12 55 14 12 6 4 2 3 3 2 1 2 2 1 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 79 78 ddd 1H J 11 20 77 | 78 77 dt 1H J 11 22 | 75 74 t 1H J 79 | 74 73 ddt 1H J 9 20 81 | 73 72 m 2H | 43 43 m 1H | 41 40 dd 2H J 8 50 | 39 38 tddd 1H J 9 16 32 64 | 37 36 dq 1H J 49 71 | 30 29 m 3H | 28 27 m 2H | 26 26 m 1H | 23 22 m 1H | 23 22 dd 3H J 16 49 | 21 20 dddd 1H J 29 53 71 125 | 18 17 ddt 1H J 50 74 124 | 14 13 hept 1H J 55 | 7 7 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.
C=C(C#N)C(O)c1cc(-c2ccccc2)cnc1Cl
ir: 2 2 4 3 2 1 5 3 2 5 3 3 20 5 1 2 4 2 1 2 3 5 2 1 2 2 1 2 2 7 21 12 7 7 3 2 34 60 20 4 18 41 7 3 2 3 3 4 5 2 3 3 1 1 2 5 5 10 2 2 1 1 3 2 2 5 5 5 15 9 5 6 31 23 11 5 6 15 8 6 3 6 15 100 63 18 5 8 46 92 43 11 5 3 4 5 3 2 2 2 2 2 4 4 1 1 1 1 1 1 2 2 1 5 5 2 7 6 11 13 4 3 2 3 3 7 24 11 4 6 8 26 15 7 8 12 7 2 2 1 2 6 7 22 8 4 4 4 3 3 2 11 8 9 17 14 17 4 2 2 1 1 2 13 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 2 5 8 47 11 8 11 18 31 68 38 16 8 9 22 10 7 25 6 5 2 3 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 84 d 1H J 18 | 80 79 m 1H | 76 75 m 2H | 75 74 m 2H | 74 73 ddt 1H J 15 68 80 | 60 60 dd 1H J 16 23 | 58 58 dd 1H J 16 23 | 56 55 m 1H | 43 42 d 1H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)NCCC3)cc1
ir: 17 12 6 7 2 4 8 6 6 6 9 4 2 8 24 13 4 7 3 2 2 3 3 6 2 8 3 2 2 4 6 6 12 6 4 10 3 2 4 4 16 74 10 11 11 12 6 2 4 5 2 4 3 3 6 6 43 15 6 1 2 3 3 2 2 4 8 4 8 4 5 3 2 2 2 5 2 2 3 7 3 2 1 1 2 2 2 2 3 4 5 5 3 4 2 5 3 2 2 6 16 3 3 7 9 4 0 2 4 4 5 15 20 12 2 5 35 19 6 4 4 8 5 6 4 3 9 5 6 3 2 2 2 1 2 2 2 3 5 17 9 20 9 22 26 7 5 6 52 27 16 17 32 13 10 7 5 2 2 2 2 2 1 18 7 1 2 2 2 1 1 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 2 3 6 14 9 22 54 18 7 5 3 4 2 3 2 3 2 2 2 3 2 3 2 2 1 3 4 2 15 20 100 80 15 5 2 3 3 1 2 3 2 1 1 3 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 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 86 85 s 1H | 80 79 m 4H | 76 75 dd 1H J 22 84 | 72 72 m 2H | 44 43 q 2H J 64 | 41 40 t 1H J 38 | 34 33 m 2H | 29 28 tdd 2H J 9 18 65 | 20 19 m 2H | 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=CC1CCC(C=O)C1
ir: 12 9 4 6 8 6 6 9 11 5 3 7 8 5 5 8 10 8 5 8 5 8 5 8 12 8 14 13 11 7 9 9 8 4 4 6 8 4 4 6 10 10 19 22 19 12 12 36 23 25 23 27 37 8 22 23 14 3 9 24 7 7 5 8 6 2 6 12 14 9 9 13 10 6 12 12 9 11 5 7 5 2 5 5 2 2 6 6 2 3 7 6 3 3 12 9 6 6 11 23 7 29 39 59 66 99 100 25 48 24 15 14 21 11 13 8 5 6 7 5 6 10 10 5 8 6 5 4 3 5 5 4 3 4 5 4 3 4 5 3 5 6 10 8 12 8 17 29 68 77 64 52 28 23 13 5 5 10 7 1 3 8 4 0 3 7 4 0 3 7 4 0 4 7 3 1 4 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 3 5 4 1 3 5 4 2 3 6 4 1 3 6 4 1 3 6 4 1 3 6 4 1 4 6 3 1 4 6 3 1 4 5 3 2 4 6 3 2 4 5 3 2 5 5 2 2 5 5 2 2 5 5 2 3 7 6 3 5 9 9 5 7 12 7 9 7 15 10 3 7 13 13 19 40 33 12 8 7 6 5 3 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 3 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2; 1HNMR: 96 96 dt 2H J 9 70 | 27 26 ddddt 2H J 15 31 45 60 91 | 22 21 m 1H | 20 19 m 3H | 17 16 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NC1Cc2ccc(Br)cc2C1)OCc1ccccc1
ir: 6 3 7 2 1 4 2 2 2 3 3 2 1 2 2 4 1 2 2 2 2 2 2 3 5 2 9 10 5 8 10 6 3 3 7 5 6 5 11 26 22 25 20 56 20 13 4 1 4 3 4 3 10 8 6 4 9 9 14 4 3 3 5 2 3 9 8 14 18 6 4 1 3 2 3 2 3 2 2 2 2 2 1 1 2 3 7 9 6 9 48 8 5 3 3 2 3 4 4 2 3 4 2 1 3 4 2 6 8 8 12 2 4 2 1 2 4 5 3 4 19 6 6 7 9 7 4 3 4 2 2 2 5 5 11 3 12 5 3 6 7 5 6 41 86 34 14 18 37 37 100 12 8 3 7 5 3 1 2 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 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 1 1 1 0 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 4 4 3 2 2 6 13 8 10 11 44 32 38 25 7 5 3 3 3 3 3 4 1 2 2 2 1 2 3 2 2 7 7 12 22 38 47 32 16 5 3 2 1 1 2 2 1 1 1 1 0 1 1 1 0 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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: 74 73 m 7H | 70 70 m 1H | 51 51 s 2H | 50 49 d 1H J 80 | 43 42 dp 1H J 51 79 | 32 31 m 2H | 29 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc(C2=C(c3ccc4ncnn4c3)OC3(CCC(=O)CC3)C2=O)c1
ir: 1 8 2 1 3 1 1 1 1 1 0 5 2 3 4 2 3 2 5 5 2 14 1 1 2 0 0 1 1 1 5 2 12 2 1 3 2 2 24 0 5 2 8 11 8 6 6 18 3 2 2 1 19 22 9 4 2 2 22 2 31 46 4 2 9 8 25 3 7 2 3 4 34 3 2 2 1 2 1 5 3 1 1 2 1 0 2 3 3 3 8 16 4 5 5 1 3 2 2 2 30 3 3 1 15 20 6 10 2 4 9 25 17 3 7 3 3 19 28 17 5 6 93 10 4 9 7 5 26 5 1 6 7 1 2 1 1 2 3 27 5 4 3 1 9 8 5 14 6 16 8 1 4 20 3 1 2 9 1 1 1 1 1 0 1 2 24 7 12 0 1 2 7 0 1 1 1 1 0 1 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 1 1 2 1 1 3 4 2 14 43 9 4 9 10 7 5 5 23 36 19 85 100 61 20 15 22 3 5 4 1 2 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 13 | 84 84 s 1H | 79 78 dd 1H J 13 93 | 77 77 d 1H J 93 | 76 75 ddd 1H J 12 21 79 | 74 73 m 2H | 72 71 dddd 1H J 8 15 28 85 | 28 27 ddd 2H J 54 81 154 | 27 26 ddd 2H J 55 82 154 | 25 24 ddd 2H J 53 81 145 | 24 23 d 3H J 7 | 22 21 ddd 2H J 54 81 147
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccc(S(N)(=O)=O)c2)s1
ir: 3 17 12 9 1 7 8 3 5 3 2 6 16 12 13 6 1 3 5 1 4 9 5 13 11 5 6 4 3 4 9 10 8 4 5 4 6 6 3 4 5 3 2 2 2 3 3 6 5 2 2 1 2 4 6 7 6 8 4 3 1 0 0 5 13 2 2 3 5 1 2 1 2 0 2 3 3 1 6 7 17 9 20 14 28 13 24 51 27 23 9 3 4 2 1 1 2 2 7 4 3 4 2 2 3 2 9 4 1 1 2 2 3 3 2 2 8 17 12 53 29 6 4 5 2 2 2 2 1 1 0 1 1 1 2 2 4 6 10 5 27 5 25 25 23 10 15 9 12 9 4 2 4 3 1 4 2 1 1 1 8 5 2 1 9 5 8 2 1 0 0 1 1 0 1 1 1 0 1 1 0 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 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 2 2 1 2 6 8 26 7 1 2 2 2 1 1 1 1 0 1 1 1 1 1 2 2 17 99 28 7 9 5 100 45 50 11 6 3 1 0 1 1 1 0 0 1 1 1 1 2 1 1 0 1 0 0 0 0 0 0 0 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; 1HNMR: 97 97 s 1H | 95 95 s 1H | 83 83 dd 1H J 18 141 | 77 76 ddd 1H J 13 22 82 | 75 74 m 5H | 71 71 ddd 1H J 12 21 75 | 63 63 s 2H | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1ncc2ccc(Nc3nc(Nc4ccc(C(N)=O)cc4)nc4[nH]ccc34)cc21
ir: 1 3 2 2 2 2 1 18 3 4 6 7 9 14 7 7 15 13 6 3 1 4 15 73 10 5 2 12 6 16 8 4 1 2 7 8 11 12 17 15 9 5 49 31 14 0 3 5 2 2 3 1 1 0 8 7 16 6 2 1 1 1 1 1 2 2 2 1 6 2 2 1 3 2 3 3 2 1 1 3 15 4 1 0 1 1 1 1 2 1 1 1 2 1 2 4 4 2 2 2 1 1 3 13 23 4 2 2 1 1 0 1 2 1 1 2 4 4 1 5 4 1 3 13 4 2 1 4 3 2 0 1 0 2 1 3 4 3 5 18 8 3 4 3 13 4 5 15 8 11 7 28 3 4 37 6 100 14 12 62 5 3 1 3 44 50 2 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 0 0 1 0 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 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 1 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 1 1 1 1 0 1 1 1 1 3 4 13 28 40 24 2 6 1 1 2 2 1 1 1 1 1 0 2 2 1 8 2 2 2 2 4 41 64 61 4 6 3 32 19 5 4 2 0 0 1 1 0 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 89 89 d 2H J 82 | 81 80 dd 1H J 20 80 | 80 80 d 1H J 21 | 78 77 m 2H | 75 75 m 2H | 74 74 dd 1H J 22 81 | 74 74 d 1H J 22 | 72 72 dd 1H J 55 64 | 70 69 d 1H J 53 | 66 66 s 2H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C)c(S(=O)(=O)n2nc(C(=O)O)c3ccccc32)c(C)c1
ir: 3 9 1 1 1 1 3 3 4 9 8 17 4 4 5 6 7 2 7 2 29 100 6 2 5 3 3 9 9 4 5 2 1 2 1 5 2 5 2 0 1 3 4 59 3 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 5 3 2 4 4 4 8 15 3 8 16 13 15 12 5 13 15 71 19 4 6 34 50 5 4 8 2 1 1 1 1 1 2 14 14 8 7 3 3 0 1 1 4 3 3 2 1 1 1 1 1 1 1 1 1 1 1 3 2 3 2 2 9 16 1 1 2 2 4 22 2 2 1 1 1 1 1 5 18 6 3 1 2 6 4 17 1 1 2 3 1 1 2 17 3 12 2 1 0 5 3 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 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 2 2 2 2 2 3 14 7 12 73 18 16 2 1 1 1 2 1 3 30 7 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0; 1HNMR: 85 85 dd 1H J 13 79 | 81 81 dd 1H J 14 73 | 75 75 td 1H J 13 72 | 75 74 ddd 1H J 15 71 79 | 70 70 s 2H | 25 25 s 6H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2ccccc2)sc1CCl
ir: 1 1 1 1 1 2 3 6 5 2 17 5 9 4 3 1 1 1 2 1 1 1 1 1 1 2 1 3 10 33 29 7 7 17 2 2 4 5 4 24 11 7 10 2 2 2 15 1 4 26 6 0 1 2 1 1 3 6 3 2 2 2 2 4 12 15 7 9 14 20 5 11 5 3 8 4 14 11 5 3 2 3 3 4 1 2 3 2 2 28 5 9 62 4 1 3 1 1 4 5 1 6 31 3 4 4 6 3 4 3 2 3 4 7 9 12 14 8 3 6 5 2 2 5 5 11 7 6 3 3 2 3 3 3 10 24 8 3 2 2 3 10 12 16 2 11 9 6 11 4 3 3 9 2 3 2 1 1 1 1 1 1 6 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 5 7 3 4 6 3 7 11 19 5 5 3 3 8 13 59 56 45 100 51 11 18 20 16 12 6 0 2 3 6 0 2 2 0 0 1 2 1 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 80 79 m 2H | 75 74 m 3H | 48 47 s 2H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(N)=O)ccc1-c1nc2ncncc2[nH]1
ir: 3 1 1 1 2 1 1 3 2 2 6 7 7 11 9 6 5 4 9 8 11 18 4 2 3 5 3 5 7 4 2 3 2 4 6 18 53 26 2 11 39 66 31 6 3 1 1 2 1 2 1 2 9 4 2 3 3 3 2 2 1 0 1 3 2 2 3 4 3 1 3 5 2 6 2 4 1 1 2 2 1 0 2 2 0 1 2 2 1 1 4 2 4 1 2 2 1 1 2 2 1 6 3 2 0 1 2 1 0 4 5 18 3 3 2 1 0 5 4 2 1 2 3 2 1 11 3 2 0 2 3 5 1 1 2 1 0 2 3 0 43 7 5 56 6 37 7 4 45 4 8 12 12 8 18 9 20 25 100 24 7 7 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 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 0 1 2 2 4 6 16 9 2 2 2 1 1 1 2 1 1 1 2 1 1 1 2 5 25 3 1 1 1 3 5 6 20 8 29 4 9 57 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 90 90 d 1H J 16 | 88 88 d 1H J 16 | 79 79 d 1H J 87 | 77 77 dd 1H J 20 88 | 75 75 d 1H J 20 | 73 73 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(CCc3cccc(F)c3)nc21
ir: 1 1 1 2 5 7 4 1 2 2 2 2 5 2 5 2 2 1 1 1 3 5 6 4 5 5 9 3 1 4 5 3 6 3 7 1 10 7 12 4 3 4 1 2 3 2 16 16 4 3 1 0 2 5 80 21 3 5 4 1 3 2 2 3 7 9 8 19 10 20 6 2 1 2 2 2 2 2 3 1 2 1 1 1 1 1 1 2 2 4 1 1 3 5 9 3 17 2 8 6 3 2 1 4 1 1 1 3 2 2 3 7 2 2 1 2 6 2 1 2 2 7 3 3 5 5 11 3 1 2 1 1 1 2 7 4 2 1 2 7 5 9 1 1 2 3 4 6 12 8 34 17 8 2 12 100 5 1 1 2 3 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 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 2 5 3 3 2 2 1 2 3 3 5 9 8 44 66 22 6 4 4 2 2 5 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 0 1 1 1 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 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; 1HNMR: 80 80 s 1H | 75 74 m 2H | 74 73 m 2H | 73 72 td 1H J 50 77 | 70 69 m 3H | 38 38 s 2H | 33 32 t 2H J 70 | 30 29 tt 2H J 10 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1c2ccccc2C(=O)N1CCn1cc(CO)nn1
ir: 1 2 2 2 2 3 3 3 3 2 5 3 1 2 3 2 1 2 2 1 1 1 2 1 2 2 3 1 2 2 1 1 1 1 3 9 2 2 3 24 100 8 3 0 1 3 4 1 1 2 1 1 2 6 2 1 4 3 3 1 3 3 2 1 3 4 3 8 4 2 3 1 2 2 1 1 2 2 1 1 2 3 1 6 7 5 27 19 17 8 5 3 5 9 4 3 3 2 1 4 2 2 1 1 2 1 1 1 2 9 6 3 3 2 1 1 2 2 1 3 35 7 2 3 5 4 1 2 3 1 3 2 29 4 3 3 6 4 5 2 4 2 1 1 2 1 1 2 1 1 1 2 5 4 49 6 9 1 1 2 3 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 2 3 2 2 1 1 2 2 2 0 5 3 7 31 13 6 7 2 3 4 12 28 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 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2; 1HNMR: 79 78 dd 2H J 31 50 | 78 77 p 1H J 9 | 77 77 dd 2H J 31 51 | 48 47 dd 2H J 8 56 | 46 45 td 2H J 8 40 | 44 43 t 2H J 41 | 32 31 t 1H J 56
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1
ir: 4 10 18 7 7 12 2 4 7 4 3 5 5 2 2 3 3 2 3 3 3 5 3 6 3 2 2 3 3 4 5 7 11 11 3 3 3 2 3 9 22 3 3 3 4 5 3 4 3 2 2 3 2 2 2 3 3 3 2 3 2 5 5 4 3 4 3 16 12 24 4 5 4 2 3 4 4 5 7 4 2 2 3 3 2 2 3 3 8 10 4 6 11 6 4 3 4 6 4 3 2 2 3 3 2 2 3 3 10 11 6 3 3 4 6 30 9 8 13 7 7 4 5 8 6 5 4 4 4 5 3 8 10 7 4 8 1 4 4 2 2 5 6 6 22 31 4 2 2 8 79 100 6 0 2 4 3 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 2 4 3 3 3 3 4 7 6 5 5 11 15 11 36 22 6 3 3 3 3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 5H | 54 53 d 1H J 93 | 53 53 dd 1H J 17 94 | 51 51 s 2H | 44 43 qd 1H J 18 73 | 14 14 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nc(C)c(C)cc1NC(=S)N1CCN(c2cccc(O)c2)CC1
ir: 1 1 0 0 0 1 0 0 1 0 1 0 0 1 1 0 0 0 1 0 0 2 0 2 0 1 0 1 0 1 2 5 12 6 2 1 3 4 4 6 3 1 1 1 1 0 1 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 1 1 1 1 1 3 1 1 1 1 1 0 0 1 2 1 1 1 2 2 23 2 1 1 2 2 1 0 1 0 0 0 1 1 1 1 1 0 0 1 0 0 0 0 2 1 1 1 0 0 0 1 1 1 1 2 1 2 2 1 1 1 0 0 1 1 0 0 2 1 1 2 2 2 3 4 4 1 9 17 4 1 0 4 8 0 0 0 0 1 1 1 1 2 0 0 0 0 1 4 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 2 2 1 2 4 4 3 1 1 1 0 3 100 15 2 0 0 0 0 0 0 0 0 0 1 1 1 0 4 9 5 1 1 1 1 1 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 72 71 s 1H | 71 70 ddt 1H J 13 77 86 | 65 65 s 1H | 64 63 m 1H | 63 62 m 2H | 40 40 s 3H | 40 39 m 5H | 34 33 m 4H | 24 24 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[C-]#[N+]Cc1ccccc1
ir: 3 3 9 9 21 26 24 27 7 12 6 6 7 5 5 2 2 3 3 2 2 3 5 4 4 7 34 9 8 10 9 5 4 5 4 6 6 12 51 12 50 0 2 7 7 5 13 6 3 1 2 4 3 1 5 17 5 10 5 5 3 3 3 4 3 2 3 3 3 2 2 3 2 2 2 3 2 2 3 3 2 2 2 2 2 2 2 5 50 2 3 3 2 3 3 3 2 4 5 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 4 4 3 5 3 4 7 4 3 3 3 3 2 1 4 5 0 89 2 100 6 5 3 1 4 7 29 8 8 10 4 2 3 3 2 2 4 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 4 3 8 17 11 12 6 2 5 3 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 3 3 4 9 15 32 59 31 3 7 4 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 73 72 m 3H | 70 70 ddq 2H J 9 16 63 | 44 44 t 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
ir: 6 2 1 2 1 4 3 2 7 6 4 2 2 3 4 2 1 3 6 5 2 2 2 2 3 3 3 5 6 3 4 9 11 15 37 45 27 4 8 21 24 23 4 2 6 6 2 1 2 3 3 3 2 3 2 2 3 3 1 1 1 1 2 2 2 2 2 6 6 11 10 3 3 4 2 1 4 2 5 3 3 2 2 1 1 1 1 1 1 2 3 1 1 1 3 3 4 4 3 1 1 1 1 1 1 1 1 1 3 4 6 5 3 3 2 1 4 5 9 4 6 16 34 8 4 4 4 2 4 2 2 2 2 3 4 18 5 2 6 7 7 37 48 31 35 17 25 12 8 7 2 2 3 0 1 2 1 0 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 1 1 1 3 1 1 1 1 1 2 3 4 3 3 3 3 7 12 5 6 29 21 7 2 2 1 1 2 2 1 1 1 1 1 1 2 2 3 1 2 3 5 11 28 100 96 23 3 2 2 2 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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: 79 79 d 1H J 82 | 76 75 d 1H J 88 | 73 72 m 3H | 72 71 dtd 2H J 8 16 63 | 45 44 m 2H | 37 37 s 2H | 30 29 ddt 1H J 8 61 140 | 27 27 ddt 1H J 9 60 139 | 19 18 s 2H | 14 14 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCC1CCCCC1)c1cn(C2COC2)c2cccc(Cl)c12
ir: 0 2 2 4 3 6 0 2 1 1 1 2 2 1 1 2 2 5 27 9 10 2 1 3 3 3 3 1 0 1 1 1 1 2 7 6 23 8 2 3 3 5 31 42 19 6 5 5 13 33 38 11 8 1 4 1 5 2 1 1 1 0 1 2 4 4 6 5 1 0 1 1 1 0 1 1 1 1 1 1 1 1 5 2 7 4 1 2 2 3 1 2 1 7 4 1 0 0 2 3 13 7 4 2 1 6 2 7 4 6 4 3 9 7 9 5 6 2 2 3 3 7 5 5 7 14 5 9 8 3 3 13 4 2 3 7 1 1 1 17 34 10 10 3 3 44 5 68 100 7 23 19 5 3 2 0 7 1 1 2 6 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 1 1 0 1 1 2 5 3 3 3 3 1 5 6 4 6 14 17 37 10 17 14 16 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 5 11 3 5 21 51 28 17 9 2 1 3 2 1 0 0 0 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 1 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 t 1H J 60 | 75 74 m 2H | 74 74 dd 1H J 13 75 | 74 73 t 1H J 71 | 47 46 m 1H | 40 40 dd 2H J 18 95 | 38 37 dd 2H J 18 93 | 32 31 dd 2H J 45 61 | 19 18 pt 1H J 45 58 | 16 12 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2ccc(F)c(F)c2)nc1C
ir: 9 7 15 12 0 6 4 3 4 5 4 4 3 4 1 3 3 2 4 5 4 1 2 1 2 2 1 2 1 1 1 2 2 4 3 4 10 39 17 11 5 2 1 2 1 2 2 2 2 1 4 6 31 21 20 17 2 7 9 1 3 1 3 1 2 2 3 5 8 7 4 7 3 10 5 4 1 2 2 7 15 2 3 3 1 1 2 4 8 12 3 2 1 1 2 2 2 4 19 5 1 1 1 1 1 1 1 1 1 1 2 4 6 4 6 5 2 10 10 12 14 4 2 4 10 4 3 3 4 6 2 2 2 2 1 2 2 2 23 100 26 7 10 23 42 11 11 6 16 29 12 10 19 35 13 18 3 5 4 20 3 3 2 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 2 2 1 2 2 2 2 2 3 5 6 4 15 21 29 69 74 23 21 8 5 1 3 3 1 1 1 2 1 0 2 2 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 d 1H J 84 | 78 78 d 1H J 84 | 78 77 ddd 1H J 21 40 97 | 76 76 ddd 1H J 22 35 121 | 73 72 td 1H J 47 100 | 43 43 q 2H J 64 | 27 26 s 2H | 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.
CC(C)(C)OC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1
ir: 7 5 4 6 4 6 6 7 8 15 42 55 11 13 75 12 5 13 7 6 4 5 6 8 11 5 5 2 11 17 13 19 20 13 17 13 15 8 20 30 47 15 7 5 6 2 2 1 3 4 3 4 3 2 3 2 6 10 3 4 3 4 2 2 3 1 12 1 4 6 2 4 3 7 4 2 2 4 3 6 5 3 2 1 1 1 1 2 2 9 2 2 5 4 4 6 5 10 7 6 7 1 2 1 3 2 5 4 7 3 5 4 16 25 8 8 17 19 12 19 14 12 12 5 2 3 5 10 5 5 7 5 3 5 5 13 6 4 4 2 6 17 93 14 100 21 4 19 19 31 12 7 4 1 1 3 1 0 1 2 2 1 1 2 2 3 6 8 4 15 21 9 3 4 2 2 2 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 0 1 2 1 0 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 4 5 4 3 4 3 2 1 3 2 3 8 11 14 14 24 21 7 5 8 37 13 6 15 4 1 6 7 6 14 75 25 11 12 9 4 10 8 8 35 63 39 33 26 9 8 3 2 1 2 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 t 1H J 37 | 74 73 m 7H | 69 69 s 1H | 63 63 s 2H | 62 61 d 1H J 86 | 51 51 s 2H | 41 40 dt 1H J 58 87 | 39 38 t 2H J 52 | 31 30 m 2H | 19 17 m 1H | 17 15 m 4H | 14 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(OC)c(Cc2nc3ccc(C)cc3c(=O)n2CCN(C)C)c1
ir: 5 2 2 2 3 3 3 4 3 2 1 2 1 1 5 3 2 2 1 1 1 1 1 1 1 1 1 1 2 2 1 3 6 6 1 1 1 1 1 1 1 1 2 2 5 4 6 24 2 2 1 2 7 5 15 4 2 3 3 1 1 2 2 2 7 5 4 5 5 5 2 1 4 2 1 2 2 3 4 1 1 1 2 1 2 24 4 3 3 2 2 3 5 16 3 1 2 6 4 2 2 2 2 4 2 1 1 1 2 1 1 2 0 1 2 1 7 3 3 2 3 2 2 4 4 2 1 3 1 1 2 1 2 1 5 2 3 5 5 2 1 3 2 2 6 2 4 2 1 3 29 7 2 4 12 4 2 100 2 1 1 1 2 8 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 2 6 4 8 10 16 17 4 2 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1; 1HNMR: 79 79 m 1H | 74 74 m 2H | 69 68 d 1H J 88 | 68 68 dd 1H J 20 86 | 67 67 dt 1H J 9 19 | 42 42 t 2H J 60 | 40 39 d 2H J 9 | 39 38 s 3H | 38 38 s 3H | 27 26 t 2H J 60 | 24 24 s 3H | 22 22 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CC(I)OC(=O)NCCCC
ir: 6 5 4 4 2 2 3 2 0 1 1 1 0 0 1 0 1 1 2 7 1 1 3 2 6 3 21 21 6 8 3 1 1 2 2 5 9 6 2 1 2 4 5 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 4 9 7 5 3 1 1 3 3 2 2 4 8 12 3 9 3 0 1 1 0 0 1 0 0 0 0 0 0 0 1 0 1 0 1 1 0 0 1 1 0 0 1 4 0 1 2 2 1 2 3 2 4 1 3 3 3 3 4 3 5 4 7 2 2 2 2 1 0 0 3 0 0 0 1 1 0 1 1 2 8 14 43 62 36 9 8 100 7 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 33 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 2 1 1 0 1 1 6 4 2 2 1 0 0 1 0 0 1 2 1 1 1 0 0 0 1 0 1 5 22 2 1 1 5 4 22 22 22 7 14 3 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 62 61 d 1H J 31 | 49 49 t 1H J 53 | 31 31 q 2H J 57 | 25 25 d 1H J 29 | 16 15 p 2H J 61 | 14 13 h 2H J 66 | 10 9 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1nc2c(c(=O)n1-c1ccc(OCC(F)(F)F)cc1)CC(=O)N2C
ir: 4 3 2 5 11 3 2 4 6 3 11 8 5 3 2 6 3 3 3 3 3 5 5 4 1 2 5 2 13 3 3 2 2 4 2 2 2 3 3 2 17 3 13 9 25 9 5 7 1 1 1 2 3 0 5 10 7 0 2 3 1 0 2 3 2 1 10 5 3 10 4 2 5 4 2 2 3 1 3 2 1 1 6 3 1 1 3 7 4 4 2 2 3 1 2 1 0 1 3 2 2 17 9 2 7 10 3 2 1 2 26 2 2 2 4 4 2 4 3 2 3 5 3 2 4 5 14 7 4 4 5 1 1 1 1 1 1 3 7 1 1 1 2 0 1 1 1 1 1 4 4 38 33 5 4 2 1 5 100 3 2 2 3 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 1 1 1 1 2 1 1 22 3 23 23 10 2 2 2 1 1 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 m 2H | 70 70 m 2H | 48 47 d 1H J 130 | 47 47 d 1H J 130 | 44 43 q 2H J 62 | 39 38 s 2H | 37 36 s 2H | 14 13 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)c(C#N)c(Cl)c2ccccc21
ir: 5 4 5 5 4 4 3 4 6 4 4 4 4 4 3 6 5 3 3 4 3 8 11 6 5 3 3 4 5 3 3 4 4 3 3 4 4 4 4 3 3 7 100 80 6 0 3 13 28 10 4 4 4 3 4 5 3 2 3 5 3 2 4 6 3 2 4 4 3 2 4 5 4 5 6 6 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 4 5 4 3 3 4 4 3 3 4 4 3 3 5 4 9 4 4 4 3 3 4 4 6 4 6 4 4 5 4 4 3 4 4 5 5 14 8 4 3 4 4 3 6 6 9 5 3 4 4 3 3 4 4 4 3 4 7 18 4 4 6 21 8 5 4 2 3 5 4 5 4 4 4 3 3 4 4 2 3 4 3 3 3 4 3 2 3 4 9 2 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 2 3 4 3 2 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 3 4 5 5 4 6 19 22 3 4 4 4 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 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; 1HNMR: 78 78 dd 1H J 16 82 | 76 75 td 1H J 16 78 | 74 73 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.
COC(=O)c1c(N)ccc2ncccc12
ir: 1 4 2 3 1 2 2 1 1 2 2 5 8 11 6 6 5 2 1 3 3 6 6 6 6 4 4 2 1 0 3 5 4 9 7 3 1 4 4 3 3 3 1 1 1 1 1 1 1 1 1 2 1 0 2 10 34 3 1 1 1 2 2 2 7 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 7 7 5 2 1 1 2 3 1 1 4 3 1 0 0 1 1 1 1 6 7 1 1 0 0 0 0 0 0 0 1 2 2 0 1 1 0 0 1 1 1 0 8 9 1 1 3 6 3 1 1 1 1 0 0 1 0 1 5 2 2 12 6 0 1 4 12 7 2 3 8 6 5 11 36 31 7 10 8 4 4 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 1 1 1 0 1 1 1 2 2 2 2 3 5 14 20 8 3 5 1 1 1 1 1 0 0 1 1 0 1 1 1 38 26 1 0 0 1 3 3 3 1 3 2 19 100 16 2 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 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; 1HNMR: 88 88 dd 1H J 21 41 | 87 87 dd 1H J 21 78 | 78 77 d 1H J 82 | 75 75 dd 1H J 41 78 | 74 74 d 1H J 82 | 65 65 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc(C2(CF)COCC(=S)N2)n1)c1ccc(Cl)cn1
ir: 5 4 4 6 6 3 1 3 2 3 1 3 6 3 5 3 3 2 1 2 4 2 2 5 4 3 7 3 10 5 20 17 15 5 6 7 16 18 6 6 6 6 5 16 27 23 19 41 49 19 10 2 3 3 7 12 4 3 2 2 3 3 3 2 7 4 5 6 7 5 2 1 2 17 7 5 2 1 2 3 6 4 5 3 5 10 3 2 8 3 4 3 2 2 4 3 1 2 5 3 6 2 2 2 2 2 2 4 3 15 2 4 2 2 1 2 2 2 3 14 6 4 2 2 2 2 3 5 4 8 23 18 6 2 1 4 6 8 3 3 3 1 6 22 100 51 13 23 18 14 5 2 9 8 6 3 10 6 20 3 11 4 3 2 2 4 2 0 1 3 1 0 1 3 1 0 1 3 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 2 1 2 2 2 1 3 3 7 4 7 17 27 10 4 3 3 4 2 2 3 2 3 2 2 2 2 2 2 1 3 5 3 3 14 42 25 68 6 5 4 2 3 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 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 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 99 98 s 1H | 88 88 d 1H J 33 | 87 87 d 1H J 19 | 79 79 d 1H J 83 | 77 77 dd 1H J 19 83 | 76 76 dd 1H J 13 73 | 76 75 t 1H J 73 | 74 74 dd 1H J 13 73 | 47 46 dd 1H J 37 133 | 46 45 m 2H | 44 44 dd 1H J 37 132
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCC(C(=O)C(=O)O)c1ccccc1
ir: 0 1 2 2 1 6 4 15 15 6 8 2 4 5 13 10 2 38 33 66 100 21 0 17 6 2 1 4 3 2 6 13 7 18 9 3 2 2 3 2 8 51 6 7 3 0 1 2 2 1 1 2 1 2 5 3 3 2 2 3 2 1 1 2 1 1 1 2 2 7 4 3 4 4 6 2 25 5 18 25 25 26 13 23 15 5 7 3 2 8 9 2 0 1 2 6 1 9 4 2 1 1 2 1 2 5 4 5 2 2 2 1 0 2 4 1 1 2 4 4 2 2 4 1 1 3 2 3 3 3 3 5 22 15 11 33 3 2 2 2 4 4 23 16 9 7 4 5 11 1 2 2 37 3 2 0 1 1 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 4 2 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 2 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 1 1 1 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 3 3 2 3 6 10 6 6 30 24 5 2 2 2 3 8 3 54 38 6 2 2 1 1 12 67 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 92 92 s 1H | 74 73 m 5H | 43 43 m 1H | 32 32 ddd 1H J 26 57 112 | 30 29 ddd 1H J 25 56 110 | 20 20 t 1H J 25
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2ccc(S(=O)(=O)N3CCCC3)cc2C1=O
ir: 3 4 3 6 5 3 4 8 4 3 4 8 9 16 56 17 11 13 4 3 4 3 6 9 3 4 3 2 2 5 13 2 17 22 15 7 4 4 6 5 6 6 4 4 4 3 2 2 2 3 3 3 3 4 8 5 4 3 4 3 10 5 6 6 3 9 8 4 5 6 6 15 4 5 5 10 35 16 7 5 8 19 7 10 14 9 12 27 12 43 8 6 13 5 4 4 2 19 34 0 9 4 1 3 11 42 11 7 5 3 3 4 4 3 1 3 6 4 2 3 6 10 35 6 4 5 4 4 3 2 2 13 1 3 3 2 4 3 6 4 2 3 2 2 2 3 5 6 3 3 5 9 4 13 10 1 35 18 4 4 4 38 6 9 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 3 3 3 3 3 3 3 3 4 9 11 27 15 17 6 4 2 3 3 2 3 2 4 2 3 3 3 2 2 2 3 3 17 4 4 7 11 100 11 3 4 4 4 4 3 3 3 3 2 3 2 2 2 2 2 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 85 d 1H J 23 | 80 79 dd 1H J 20 81 | 77 77 d 1H J 81 | 32 31 m 5H | 18 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ncc(C(=O)Nc2cccnc2Cl)c(C)n1
ir: 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 3 2 1 2 1 2 3 2 7 15 5 6 2 2 5 8 2 1 1 1 2 1 5 9 32 8 3 0 3 5 2 1 1 2 2 4 3 3 1 1 1 2 2 4 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 6 2 2 2 2 1 6 2 1 1 2 1 1 1 3 2 1 1 1 2 4 4 2 1 2 1 1 1 3 4 2 2 2 10 20 4 2 3 6 7 8 5 2 5 12 9 2 5 3 2 0 4 100 6 3 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3 3 1 2 3 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 2 4 13 7 4 2 2 2 2 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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; 1HNMR: 92 91 s 1H | 84 84 s 1H | 82 82 dd 1H J 21 39 | 81 80 dd 1H J 21 78 | 73 72 dd 1H J 40 79 | 26 26 s 3H | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC1c2cccn2-c2ccc(Cl)cc2N1C(=O)c1ccc(OC)cc1OC
ir: 8 2 2 2 2 3 1 3 3 5 5 3 4 2 21 9 2 3 5 2 5 1 2 2 2 4 2 4 4 3 2 2 2 5 4 2 2 5 5 20 25 46 41 64 10 4 3 3 4 2 3 8 11 31 37 13 6 2 2 3 3 3 2 6 7 12 12 16 54 5 12 8 6 2 4 2 3 3 3 4 2 1 9 2 0 2 1 7 3 2 4 17 11 5 3 2 1 2 1 1 2 2 2 2 1 6 4 1 2 1 2 3 3 11 12 3 5 8 3 7 19 16 16 16 7 12 11 19 22 3 1 1 1 1 1 1 1 2 2 5 13 8 6 26 17 30 50 8 4 6 28 15 26 41 17 8 10 9 2 2 1 3 13 11 2 2 1 0 1 1 0 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 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 2 2 1 3 2 4 2 3 3 3 7 6 18 20 9 37 100 80 31 65 24 17 4 2 2 2 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 78 78 d 1H J 88 | 77 77 m 2H | 74 73 dd 1H J 22 82 | 73 72 dd 1H J 16 49 | 68 68 dd 1H J 22 88 | 66 66 d 1H J 22 | 66 65 m 1H | 64 63 dd 1H J 49 70 | 53 52 m 1H | 39 39 s 3H | 38 38 s 3H | 21 20 dqd 1H J 54 71 117 | 18 17 dqd 1H J 54 71 115 | 10 9 td 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)COc1ccccc1Sc1nc[nH]n1
ir: 1 2 2 2 3 7 7 9 5 6 3 2 1 1 1 0 0 1 1 0 0 2 1 0 0 1 1 0 0 1 1 0 2 4 8 3 1 4 4 3 29 49 37 27 3 0 6 5 4 1 1 1 1 2 2 2 2 1 0 1 1 1 0 0 1 3 4 5 13 4 2 1 1 2 6 3 1 4 10 4 8 9 2 31 18 37 12 2 1 2 3 2 3 11 7 4 3 6 100 3 2 6 4 3 6 5 8 4 14 24 6 3 2 2 0 2 4 2 2 8 11 5 1 3 3 4 28 11 2 8 6 1 2 1 2 2 16 10 4 29 29 2 1 1 1 0 1 31 17 18 4 1 1 1 1 0 1 2 5 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 0 0 0 1 1 0 0 0 1 1 0 0 0 1 1 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 2 8 9 3 2 1 2 3 3 7 16 12 44 58 31 33 8 2 5 3 1 2 1 5 13 12 3 2 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 d 1H J 18 | 75 75 dd 1H J 17 70 | 73 73 td 1H J 17 75 | 72 71 td 1H J 11 70 | 70 70 dd 1H J 12 74 | 48 47 q 2H J 130
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(CC[C@H](CC=O)C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)OCCO1
ir: 2 2 2 3 2 4 2 3 3 3 2 2 3 3 2 5 2 3 3 3 3 2 2 2 2 2 2 2 2 2 4 3 2 3 3 3 4 3 8 5 16 3 2 2 2 2 4 3 2 1 2 3 3 2 4 4 7 2 2 3 3 2 2 2 2 3 3 6 6 3 2 2 2 2 2 3 2 3 3 3 2 1 2 2 2 3 4 2 3 4 3 2 2 2 4 2 2 2 6 3 3 2 3 3 5 4 3 7 6 3 2 3 3 4 3 3 3 2 6 2 2 3 2 3 3 4 3 3 3 4 4 4 3 3 5 27 9 3 2 3 2 1 2 5 4 4 10 4 4 2 2 9 6 100 15 0 1 3 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 2 2 2 2 2 3 5 3 2 2 2 3 4 3 3 5 11 5 13 3 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 97 96 td 1H J 18 70 | 73 73 m 2H | 73 72 m 1H | 72 71 dq 2H J 11 72 | 45 44 tdd 1H J 31 51 81 | 44 44 dd 1H J 33 104 | 42 41 dd 1H J 50 105 | 40 39 m 2H | 39 38 m 2H | 31 30 m 1H | 29 28 m 2H | 28 27 ddd 1H J 70 82 161 | 25 24 ddd 1H J 70 81 163 | 19 18 m 1H | 18 18 s 1H | 18 17 m 0H | 18 18 s 1H | 16 15 m 1H | 14 14 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)/C=C/CC(=O)OCC
ir: 4 2 7 6 3 6 12 3 3 7 17 8 10 5 7 4 3 2 5 3 1 5 5 2 3 1 3 3 2 3 1 1 0 1 0 1 0 1 0 0 1 0 1 1 2 6 3 1 3 2 3 4 3 3 2 1 2 4 2 1 2 1 3 9 11 18 9 18 9 7 7 3 13 10 29 41 79 65 57 18 16 3 5 2 1 1 2 2 2 1 2 2 3 2 3 6 20 23 5 35 33 15 9 4 4 3 5 3 2 3 6 8 13 41 29 24 17 40 70 75 56 38 59 18 28 18 32 17 35 35 16 10 19 6 4 9 12 7 5 13 4 4 10 52 39 47 19 11 4 1 4 8 11 38 12 4 5 2 1 0 0 1 1 2 1 3 1 1 1 1 1 0 1 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 0 0 1 1 1 1 2 2 3 3 7 7 5 9 6 7 9 7 9 36 31 39 40 83 100 61 53 22 19 13 10 4 45 10 9 4 3 0 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 66 65 dt 1H J 71 156 | 63 62 m 1H | 50 50 p 1H J 8 | 49 48 p 1H J 15 | 42 41 q 2H J 66 | 31 31 dd 2H J 15 71 | 18 18 q 3H J 11 | 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.
CC(C)C(=O)NCc1ccc(Cl)c(NNC(=O)OC(C)(C)C)c1
ir: 7 8 6 15 7 18 3 6 8 12 11 13 6 8 2 9 3 5 6 5 6 5 7 13 20 15 2 4 8 9 10 13 17 26 14 23 23 20 17 13 11 9 3 6 5 4 3 1 5 3 4 7 12 14 5 9 3 3 2 2 2 3 8 6 2 7 21 14 2 1 3 2 1 1 1 4 1 1 1 5 2 1 1 2 1 1 1 1 2 0 1 1 2 2 4 6 14 6 5 6 3 7 8 3 1 2 2 3 1 2 3 3 0 2 3 1 2 3 13 9 7 9 9 5 6 5 5 6 12 16 10 17 31 18 10 4 8 7 2 1 5 15 28 98 47 60 26 7 23 54 7 2 2 3 4 3 18 6 1 1 0 1 4 2 1 0 1 0 1 1 0 0 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 0 0 1 1 1 0 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 0 0 1 0 1 1 1 0 1 1 1 1 2 2 1 1 1 2 1 1 2 2 3 6 5 2 22 2 19 11 17 10 2 2 1 0 2 2 1 1 1 2 1 1 3 3 2 2 6 10 11 18 100 86 92 96 13 2 3 2 1 1 1 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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; 1HNMR: 83 83 d 1H J 57 | 80 79 d 1H J 57 | 74 74 t 1H J 51 | 73 72 dt 1H J 11 82 | 71 70 dt 2H J 10 82 | 44 44 dt 2H J 9 51 | 26 25 p 1H J 67 | 14 14 s 8H | 11 10 d 7H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N(C)C)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
ir: 7 6 4 6 6 11 8 7 8 15 7 12 4 10 3 8 6 4 12 8 8 12 7 5 8 8 7 16 11 26 11 5 4 10 12 12 8 4 7 8 8 21 25 13 6 0 4 4 8 7 5 4 7 1 4 8 5 0 7 7 6 5 24 21 15 17 33 32 21 31 29 13 9 5 12 18 6 3 10 16 4 8 6 4 2 3 2 4 3 7 8 13 9 8 14 16 25 34 10 9 21 9 6 12 30 47 15 18 23 26 22 8 17 14 4 13 25 18 8 27 15 18 32 42 44 36 19 49 51 33 14 7 12 5 3 2 4 8 14 9 5 6 100 19 6 7 9 8 3 3 3 1 1 2 1 7 4 0 1 1 1 1 1 1 1 1 1 8 36 7 3 6 18 12 2 1 1 3 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 2 2 0 1 1 1 1 1 1 2 4 6 9 14 10 13 6 11 7 14 16 10 33 30 32 23 40 33 72 73 55 31 50 25 29 33 1 7 3 3 1 3 3 3 2 3 5 7 29 6 2 2 2 3 4 19 4 2 1 1 1 1 1 1 1 0 1 2 2 1 2 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 82 s 1H | 65 64 m 1H | 62 62 s 2H | 58 58 ddd 1H J 6 52 61 | 57 56 m 1H | 44 44 m 2H | 42 41 m 1H | 33 33 s 5H | 21 20 m 10H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CCCC=Cc1cccc(Br)c1
ir: 1 1 1 6 4 3 5 4 4 4 6 5 8 9 8 6 5 10 10 14 38 100 45 23 15 5 3 5 3 2 1 2 3 2 5 25 9 5 3 3 2 1 3 3 2 6 12 36 9 4 3 2 2 0 1 2 1 0 1 1 1 0 1 1 1 1 3 5 5 2 1 1 2 2 4 6 8 30 28 31 13 3 4 4 6 11 5 5 2 1 2 1 1 2 2 2 1 2 5 4 2 5 6 13 3 3 2 1 2 1 1 8 7 3 4 2 5 2 4 5 4 5 3 4 12 3 2 1 1 2 1 1 1 2 4 5 2 2 2 2 29 18 9 20 8 4 3 1 1 1 4 9 4 3 8 4 1 1 1 1 1 9 7 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 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 1 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 2 2 2 1 2 2 1 2 1 2 3 4 5 16 29 41 12 3 4 5 3 2 2 2 12 49 4 3 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 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: 76 75 t 1H J 21 | 74 73 dddd 2H J 12 21 77 152 | 73 72 t 1H J 78 | 65 64 dq 1H J 10 150 | 60 59 dtt 1H J 9 57 150 | 25 24 tdd 2H J 13 57 80 | 24 23 t 2H J 90 | 18 17 dtd 2H J 75 84 95
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(C)(C)Oc1ccc(F)cc1C
ir: 16 9 18 10 16 17 8 9 8 7 0 28 36 41 4 8 9 4 5 4 6 3 6 5 4 4 3 4 4 2 2 4 8 4 5 5 5 7 5 6 4 4 7 4 3 1 3 5 3 2 4 9 6 3 46 12 23 3 10 8 5 3 10 8 23 24 14 11 13 7 25 9 9 7 10 6 4 4 4 5 5 5 8 9 60 37 48 16 13 9 9 9 7 10 8 16 14 7 8 5 7 5 11 10 13 10 4 4 3 4 6 6 17 18 22 21 31 19 15 14 25 20 14 8 6 10 5 11 40 25 41 14 12 5 4 5 4 3 4 4 6 12 41 37 30 100 12 13 10 20 19 8 12 9 6 4 3 5 3 1 2 8 4 2 2 4 3 2 2 3 2 2 3 4 2 2 3 3 2 2 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 5 6 8 11 10 4 5 5 7 10 5 6 10 6 5 14 31 67 31 11 31 51 21 19 7 7 4 4 3 5 3 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 71 70 ddd 1H J 22 81 101 | 69 68 m 2H | 43 42 q 2H J 61 | 22 22 s 3H | 16 15 s 5H | 13 12 t 3H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(O)c1cccnc1Oc1ccc2c(nnn2CC2CC2)c1C(F)(F)F
ir: 1 15 34 20 1 19 31 14 5 23 27 14 3 20 36 22 8 20 29 10 6 22 29 9 9 22 24 7 6 23 23 9 10 24 22 9 20 49 41 30 38 47 29 8 13 29 19 5 13 26 19 1 16 31 38 18 19 28 15 0 15 32 51 51 18 27 16 6 20 33 19 6 25 29 11 5 21 26 13 6 23 27 18 100 40 26 12 23 31 41 84 28 38 37 19 15 31 42 21 18 64 25 3 13 29 28 7 14 30 20 8 20 29 15 2 16 29 18 8 18 30 15 3 21 26 14 8 23 25 20 9 25 43 14 10 21 23 12 9 22 26 13 9 23 56 20 19 83 35 10 15 36 24 8 19 39 36 8 13 26 17 7 14 25 16 2 13 26 14 1 14 27 14 1 15 26 13 2 16 25 12 3 17 24 11 4 17 23 10 6 18 22 10 6 19 21 9 7 20 20 8 8 20 19 7 9 22 18 6 10 22 17 5 11 23 17 4 12 24 16 3 13 25 15 3 13 26 14 2 14 25 13 3 15 24 12 4 16 24 12 5 16 23 11 6 17 22 10 6 18 21 9 7 19 20 9 8 20 19 8 9 20 19 8 10 21 18 7 12 24 19 7 12 24 18 5 13 27 17 6 16 28 21 7 28 28 30 51 43 39 23 10 19 28 24 29 26 24 13 7 18 22 11 7 17 21 11 8 18 20 9 8 19 19 9 9 19 18 8 10 20 18 8 11 21 17 7 11 21 16 6 12 22 15 5 13 22 15 5 13 23 14 4 14 23 13 5 15 22 13 6 15 22 12 7 16 21 11 7 17 20 11 8 17 19 10 9 18 19 10 9 18 18 9 10 19 17 8 11 20 17 8 11 20 16 7 12 21 16 7 12 21 15 6 13 22 14 6 14 22; 1HNMR: 83 83 dd 1H J 21 41 | 77 76 m 2H | 71 70 m 2H | 53 52 m 1H | 44 43 d 2H J 49 | 33 32 d 1H J 57 | 16 16 d 3H J 69 | 15 14 pt 1H J 48 60 | 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.
NC(=O)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
ir: 2 4 5 4 3 2 5 3 10 2 1 5 6 6 17 9 16 28 12 19 35 31 30 10 5 4 2 2 2 6 4 11 8 10 5 2 5 5 40 74 18 37 48 8 6 5 7 2 1 2 1 1 1 9 36 9 1 2 1 0 1 2 1 0 3 8 26 24 7 3 6 4 5 16 4 5 5 4 3 2 3 16 14 2 8 4 2 1 6 1 3 5 3 2 1 2 10 1 4 4 2 12 8 3 4 2 2 3 7 3 1 1 2 14 12 4 1 1 2 3 3 3 9 7 35 9 7 3 2 2 3 9 7 2 11 10 2 1 1 1 1 2 33 26 2 1 2 5 3 2 9 53 12 9 12 8 3 3 85 13 3 3 2 8 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 3 3 13 21 51 19 4 1 1 1 1 1 1 1 1 1 1 1 1 1 2 43 4 2 1 1 1 1 2 1 1 2 2 12 100 47 2 2 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; 1HNMR: 86 86 p 1H J 13 | 85 84 d 1H J 21 | 81 81 dq 1H J 9 18 | 79 78 dd 1H J 22 88 | 76 76 d 1H J 89 | 74 74 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)COc1ccc(C(F)(F)F)cc1-c1ccc(N)cc1Cl
ir: 8 8 5 3 3 3 2 2 1 2 3 2 1 2 2 1 1 1 1 1 1 1 1 0 2 3 2 1 1 1 2 2 2 1 2 2 2 1 2 5 1 1 1 1 1 1 1 0 1 1 2 1 1 0 14 8 1 3 1 0 1 1 1 0 1 2 6 21 4 2 1 1 1 1 1 0 1 1 2 5 3 1 1 1 1 0 1 1 1 2 3 2 1 1 1 2 1 1 7 10 1 1 1 1 1 1 3 4 1 1 0 1 4 8 2 2 1 1 1 2 1 3 1 1 2 1 5 2 5 2 2 2 1 0 1 1 1 1 1 1 1 1 1 1 4 6 1 1 1 6 2 1 4 9 4 11 33 5 1 1 3 21 1 6 1 1 1 1 1 0 0 1 0 0 0 1 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 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 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 7 3 5 10 4 1 1 0 1 1 0 0 0 1 1 0 0 1 0 1 0 4 13 1 1 1 0 0 1 1 0 2 5 89 100 6 2 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 78 dq 1H J 13 26 | 77 76 ddq 1H J 13 27 73 | 75 74 d 1H J 84 | 71 71 d 1H J 73 | 70 70 d 1H J 21 | 67 67 dd 1H J 22 84 | 47 47 s 2H | 42 42 s 2H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)C1(C(F)n2cncn2)CO1
ir: 1 1 2 2 2 4 4 3 2 2 2 1 1 1 1 1 1 3 2 1 2 2 1 1 1 1 1 1 1 1 1 2 11 19 6 10 3 2 3 19 4 4 2 1 15 5 2 14 1 2 1 1 1 2 4 3 2 2 1 1 1 25 18 2 3 5 11 6 2 3 2 1 2 10 1 11 2 1 2 2 4 8 2 1 3 3 1 1 1 1 2 12 6 2 1 6 4 26 3 7 3 5 4 2 1 1 3 1 2 1 6 2 2 1 1 2 2 2 4 7 4 10 3 3 5 5 1 3 3 2 8 12 9 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 6 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 7 3 2 1 1 1 1 1 2 8 3 5 9 30 6 5 4 7 100 44 0 1 2 1 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 83 82 ddd 1H J 7 17 25 | 80 79 d 1H J 18 | 57 57 d 1H J 8 | 56 56 d 1H J 8 | 38 38 t 1H J 31 | 36 35 t 1H J 31 | 11 11 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(NCc1ccc(S(=O)(=O)C2CCOCC2)cn1)c1cc2ccncc2o1
ir: 7 7 7 5 22 17 20 9 65 7 18 7 3 5 14 8 4 34 2 7 5 9 9 5 5 8 2 5 11 8 3 4 13 5 6 13 35 47 55 57 5 4 4 2 8 10 5 2 4 8 6 29 3 9 9 13 14 2 4 3 2 3 3 12 40 7 4 2 3 5 21 2 2 5 13 6 3 6 4 2 2 2 10 4 45 11 4 3 1 3 5 3 3 5 27 7 6 5 7 16 16 15 19 6 9 9 11 10 2 7 18 61 36 15 4 5 2 24 9 6 9 22 19 20 5 4 1 5 3 3 3 1 2 4 5 21 100 13 2 6 13 11 7 3 7 16 21 17 18 23 35 6 2 6 3 6 24 6 7 33 2 6 11 3 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 3 2 1 2 2 4 4 3 2 3 2 6 10 8 7 6 6 14 45 34 19 6 3 2 1 1 2 2 2 1 1 1 1 3 2 2 1 3 3 2 4 11 28 14 15 16 7 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 88 88 m 1H | 87 87 d 1H J 20 | 86 86 dd 1H J 14 43 | 81 81 dd 1H J 19 91 | 79 79 t 1H J 52 | 77 77 dd 1H J 22 43 | 77 76 m 2H | 45 45 dd 2H J 8 52 | 39 38 ddd 2H J 44 71 103 | 37 36 ddd 2H J 44 71 104 | 35 34 p 1H J 79 | 23 22 dddd 2H J 43 71 79 143 | 21 20 dddd 2H J 44 71 79 143
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)N1CCC(N2CC[C@@H](Cc3c(Cl)cc(-c4ccc(F)cc4)cc3Cl)C2=O)CC1
ir: 0 0 1 2 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 2 3 3 2 1 1 0 0 0 1 1 2 1 1 3 4 1 1 1 3 3 3 2 3 3 1 0 0 1 0 1 2 1 1 0 3 100 3 2 1 0 1 1 1 0 1 1 1 5 3 1 0 3 1 0 1 1 1 0 1 0 0 0 0 0 0 1 1 1 1 1 1 1 4 1 1 1 1 1 1 0 1 3 1 0 1 1 1 1 1 2 1 1 1 1 1 2 1 3 1 1 2 2 1 3 4 2 1 1 1 1 0 1 1 2 3 1 1 1 2 1 1 2 1 1 3 15 16 15 3 27 2 7 18 4 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 1 1 1 2 2 2 4 10 8 4 2 1 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 2 2 2 4 6 6 2 3 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; 1HNMR: 75 74 m 2H | 74 73 s 2H | 72 71 m 2H | 56 55 q 1H J 55 | 44 43 p 1H J 57 | 38 37 ddd 2H J 53 80 132 | 35 34 td 2H J 10 64 | 34 33 ddd 2H J 53 81 130 | 31 30 dd 1H J 74 169 | 29 29 dtdd 1H J 9 29 46 93 | 28 27 m 4H | 23 22 m 1H | 21 20 ddt 2H J 55 81 121 | 19 17 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CBr)c1cccc(C(=O)OCc2ccccc2)c1
ir: 3 1 3 2 4 2 4 4 3 11 15 4 9 11 5 3 1 2 2 2 2 3 2 1 1 2 3 1 2 8 16 34 14 3 2 5 2 3 6 8 65 6 7 3 5 12 6 3 6 4 2 2 1 1 1 0 1 1 1 0 1 1 1 0 1 12 2 0 5 3 5 1 1 1 2 9 2 2 3 2 3 2 1 1 1 1 1 1 8 7 1 1 1 1 1 1 6 5 1 1 2 1 3 2 1 1 0 1 2 1 3 3 12 16 3 4 22 6 3 3 3 3 3 7 27 9 4 4 2 1 1 2 1 1 3 30 3 2 7 4 0 4 25 100 28 10 12 13 4 2 1 13 2 1 3 1 1 1 3 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 8 2 1 1 2 2 1 3 9 15 7 37 62 32 10 7 2 2 6 2 1 2 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 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 84 83 t 1H J 22 | 81 81 ddd 1H J 11 20 79 | 80 80 ddd 1H J 12 22 81 | 75 75 t 1H J 80 | 74 73 m 5H | 53 52 d 2H J 8 | 47 47 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1nc(-c2ccccn2)c(-c2ccc3c(c2)CCCO3)c1C(OC(C)(C)C)C(=O)O
ir: 9 15 2 8 5 9 4 4 7 5 8 3 2 2 2 4 3 7 2 2 1 2 4 2 2 1 1 2 2 2 1 1 1 4 6 1 4 2 1 2 13 2 2 2 2 2 1 3 9 2 2 8 3 11 3 32 3 7 5 22 11 8 4 3 8 24 3 5 4 3 4 6 3 4 2 7 7 2 2 2 8 3 2 3 0 30 21 17 8 8 19 15 6 3 3 3 3 2 2 4 10 2 6 4 3 2 1 2 2 5 16 14 14 3 6 4 8 8 8 12 10 11 10 9 8 3 5 5 13 19 14 6 3 1 4 2 1 1 3 2 1 10 4 39 3 2 19 4 3 3 16 4 2 2 2 2 1 1 1 1 17 3 4 1 1 1 1 1 1 1 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 3 10 6 5 6 4 3 4 4 4 5 7 20 20 100 58 23 75 31 6 8 4 2 2 4 18 9 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 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 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 0 1 1 1 1; 1HNMR: 85 85 dd 1H J 17 41 | 79 79 dd 1H J 14 83 | 78 77 ddd 1H J 17 71 82 | 74 74 dt 1H J 9 19 | 73 73 ddd 1H J 13 40 71 | 73 72 dd 1H J 22 84 | 69 69 d 1H J 84 | 58 57 s 1H | 42 42 m 2H | 39 38 s 3H | 29 28 m 2H | 20 19 m 2H | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)/C=C/c1ccc(OC)cn1
ir: 8 4 3 44 33 5 6 10 6 6 6 8 6 9 7 7 5 4 2 5 3 1 1 2 3 2 3 10 12 5 3 4 3 4 33 47 6 3 3 4 3 2 2 2 2 1 2 3 2 2 4 8 85 100 11 9 4 0 4 6 4 4 9 25 15 28 16 8 7 28 30 5 1 3 6 8 15 31 55 38 21 20 24 5 3 3 3 3 10 18 36 8 4 2 3 2 1 2 3 3 0 2 3 3 1 4 7 33 10 2 4 3 1 2 5 3 1 3 3 3 3 4 3 6 5 9 7 36 2 6 4 3 1 7 11 3 8 22 62 47 6 4 4 3 5 35 28 14 10 36 23 7 13 6 5 4 2 3 2 29 19 3 2 1 2 6 2 0 1 3 2 0 2 3 2 1 2 3 1 0 2 3 1 0 2 3 2 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 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 2 1 2 2 1 1 3 2 4 8 9 5 5 10 11 38 28 24 35 66 44 7 6 2 4 4 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 2 2 1 1 3 2 0 1 3 2 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 81 80 d 1H J 18 | 76 75 m 2H | 70 70 dd 1H J 18 83 | 65 65 d 1H J 162 | 39 39 s 3H | 38 37 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(S(=O)CC(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)cc1
ir: 5 6 2 5 9 7 37 24 8 12 5 3 15 3 3 3 3 4 3 3 5 12 14 14 16 29 18 19 34 27 45 50 59 43 12 16 7 8 4 10 30 8 2 5 3 6 6 3 2 1 1 6 8 29 47 10 13 8 5 3 4 15 10 10 12 6 25 4 5 22 5 3 8 3 1 4 6 4 4 1 1 24 1 1 3 2 3 6 8 9 14 6 8 6 6 17 55 100 57 18 26 23 50 17 5 17 23 17 18 40 10 5 5 6 7 8 8 4 22 8 9 6 9 9 5 6 2 7 3 3 1 8 23 3 3 26 5 7 2 2 3 1 12 9 6 5 24 59 6 8 7 21 5 2 2 1 1 1 1 1 2 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 1 0 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 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 0 1 1 1 1 1 1 1 1 1 2 2 3 6 13 5 7 2 2 3 1 4 13 22 16 39 59 62 29 26 51 31 15 6 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 m 2H | 74 73 m 5H | 70 70 m 2H | 52 51 s 2H | 47 46 qd 1H J 18 42 | 43 42 ttd 1H J 18 65 79 | 40 39 d 1H J 62 | 38 37 m 3H | 36 36 m 2H | 35 34 m 2H | 32 31 m 1H | 30 29 m 1H | 22 21 m 1H | 21 20 dddd 1H J 31 54 70 122 | 20 19 m 2H | 19 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNCc2cccc(C(F)(F)F)c2)c1
ir: 3 3 3 3 4 5 4 4 6 4 10 10 7 7 14 9 11 6 13 1 4 51 70 28 13 7 8 12 8 3 11 12 5 5 2 2 3 6 4 20 67 8 8 3 3 8 4 26 5 1 7 5 6 3 3 1 3 1 1 2 2 2 4 11 12 5 4 11 19 7 5 5 3 12 20 11 10 21 12 17 12 5 5 4 2 2 19 22 58 12 11 4 3 3 3 1 1 4 3 15 2 1 2 2 2 8 7 2 3 5 22 30 9 32 7 4 6 9 5 4 4 5 4 3 7 7 7 8 10 8 4 5 2 4 12 31 7 2 2 2 11 6 9 25 48 10 15 40 6 6 3 3 5 2 2 4 2 2 1 1 1 1 1 1 4 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 3 2 2 1 1 2 2 4 2 2 8 15 21 100 59 12 8 3 3 14 96 44 18 48 5 3 2 1 1 3 4 4 8 67 26 11 10 19 13 8 4 2 1 1 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 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0; 1HNMR: 85 84 t 1H J 22 | 81 80 ddd 1H J 11 22 82 | 80 79 ddd 1H J 12 22 81 | 77 77 tt 1H J 9 20 | 76 76 ddd 1H J 13 22 107 | 75 75 m 3H | 74 74 dq 2H J 10 69 | 73 73 m 3H | 73 72 m 1H | 40 38 m 4H | 39 38 ddt 1H J 39 49 68 | 36 36 d 1H J 49 | 31 31 ddd 1H J 40 70 139 | 30 30 ddt 1H J 9 64 141 | 29 28 ddd 1H J 38 69 137 | 28 27 ddt 1H J 9 64 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CCC(C)(C)c2cc(COc3c(C=O)cccc3OS(=O)(=O)C(F)(F)F)ccc21
ir: 5 2 1 4 4 4 2 7 18 4 6 3 2 2 2 4 2 2 2 2 2 1 1 1 2 1 2 2 11 2 1 1 1 3 1 1 4 2 1 5 2 2 1 1 3 2 3 10 2 2 11 3 2 9 5 10 3 2 1 1 1 2 2 3 3 5 5 7 2 3 3 7 32 1 3 2 2 2 3 2 1 1 2 3 1 100 1 1 1 3 1 1 3 3 5 2 3 12 4 1 1 2 1 1 1 2 6 1 2 5 3 2 3 4 1 1 1 2 2 2 1 2 2 2 2 2 2 2 1 2 3 2 4 1 2 4 3 1 1 2 5 2 1 1 2 2 1 1 1 2 3 4 1 3 9 4 1 2 2 0 8 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 1 1 1 1 1 2 5 4 8 6 45 23 5 2 1 1 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; 1HNMR: 77 76 dd 1H J 20 75 | 73 72 dd 1H J 19 78 | 73 72 m 1H | 72 71 m 3H | 51 51 d 2H J 9 | 19 19 m 4H | 13 13 d 13H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)C(OC1CCOCC1)c1ccc(Cl)c(Cl)c1
ir: 0 0 0 1 2 0 0 5 6 1 1 1 4 3 2 1 3 4 7 6 12 14 30 3 2 3 1 2 3 1 1 0 0 1 1 1 1 0 0 1 1 0 0 0 0 1 1 0 1 1 3 5 5 3 7 7 2 0 0 1 1 1 0 0 0 2 2 5 1 2 1 0 1 3 1 6 2 3 31 16 4 5 6 0 1 2 1 1 1 1 0 2 8 2 1 1 1 2 6 8 2 1 0 1 1 1 0 0 2 1 2 2 1 2 2 2 2 1 2 1 1 1 1 2 2 3 4 7 4 1 1 1 1 2 1 0 1 7 1 0 3 1 1 8 4 1 1 2 3 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 1 2 2 2 3 11 2 5 7 9 0 1 1 1 0 1 2 79 100 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 | 75 74 m 2H | 73 73 m 1H | 50 50 d 1H J 8 | 41 40 p 1H J 50 | 38 37 ddd 2H J 37 63 112 | 36 36 ddd 2H J 37 63 112 | 21 20 dddd 2H J 35 50 62 139 | 18 18 dddd 2H J 36 50 62 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2COc2ccccc2Cl)cc1
ir: 1 1 2 2 1 3 2 7 5 2 2 3 3 2 3 4 7 2 6 7 6 1 3 2 6 2 1 2 3 3 6 7 5 5 4 2 5 4 5 5 7 20 37 54 7 6 3 2 3 3 2 2 12 8 9 6 12 3 5 2 2 1 1 0 1 1 2 4 9 2 8 1 1 3 5 3 1 2 1 5 2 2 1 3 2 1 0 3 2 2 3 2 2 4 1 2 2 4 5 2 1 4 1 1 1 1 1 2 2 4 4 3 0 3 4 21 18 5 5 4 3 2 2 5 7 9 1 3 3 3 0 1 1 1 0 3 11 3 7 9 6 10 34 32 23 89 41 23 37 9 19 20 4 3 4 1 1 2 4 3 1 1 2 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 1 0 0 0 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 2 3 1 2 3 2 7 7 18 100 56 14 6 3 2 1 2 1 1 1 1 1 1 2 1 2 3 1 2 2 3 5 12 40 25 21 5 3 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 79 78 d 1H J 23 | 77 76 d 1H J 79 | 74 73 m 4H | 73 72 m 2H | 70 69 m 2H | 53 52 d 2H J 9 | 52 51 m 1H | 39 39 s 2H | 15 15 d 3H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(C)ccc(=O)n1Cc1ccccc1
ir: 2 3 1 2 1 3 4 5 3 4 5 5 6 7 6 2 1 4 2 2 2 3 3 1 1 3 3 1 1 9 32 12 2 2 3 2 1 3 6 12 23 2 3 2 2 1 1 1 2 1 1 1 2 1 3 14 100 10 2 0 1 2 1 0 1 3 1 5 11 6 2 1 2 9 4 2 4 2 2 3 1 2 1 1 1 1 1 3 4 22 4 3 6 2 1 2 2 2 4 8 1 2 2 5 6 10 6 13 5 1 0 1 2 1 2 2 2 3 0 4 2 3 1 1 2 3 1 3 3 1 18 6 6 3 3 3 2 6 4 12 9 3 15 7 8 1 2 3 8 10 3 3 3 1 2 2 12 1 1 1 1 3 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 3 2 2 1 2 3 2 0 6 7 14 17 15 14 8 3 2 2 1 1 2 1 1 1 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 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 m 7H | 64 63 d 1H J 97 | 51 51 t 2H J 9 | 42 42 q 2H J 71 | 22 21 d 3H J 10 | 8 7 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1onc2c1c(=O)n(C1CCCC(CNC(=O)OCc3ccccc3)C1)c1ncccc21
ir: 2 4 2 2 1 2 3 2 2 1 2 2 1 4 1 1 3 2 1 2 1 1 1 1 2 5 13 7 11 3 9 6 3 5 2 1 3 10 10 17 8 2 2 1 1 1 1 1 2 3 12 8 1 1 1 1 3 1 2 1 1 1 10 5 2 4 1 2 2 6 2 2 2 2 1 1 1 1 2 4 2 1 1 1 1 1 1 1 3 2 2 1 1 1 1 1 1 2 2 1 1 2 1 2 1 2 2 2 1 2 2 1 1 1 1 1 4 3 8 4 3 2 4 2 2 2 4 4 8 8 1 2 2 5 7 6 5 3 1 5 2 3 7 14 8 6 5 11 3 18 2 2 6 5 2 0 1 6 100 8 6 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 1 2 2 2 2 2 7 7 6 15 13 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 7 16 10 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 86 85 dd 1H J 22 46 | 82 81 dd 1H J 21 89 | 74 73 m 5H | 73 73 m 1H | 51 51 s 2H | 48 48 t 1H J 68 | 46 45 tt 1H J 68 79 | 33 32 ddd 1H J 49 69 128 | 30 30 ddd 1H J 49 69 128 | 27 26 s 2H | 22 20 m 3H | 20 18 m 2H | 18 15 m 3H | 14 13 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(Br)ccc43)CC2)CC1
ir: 24 11 24 10 15 12 12 31 13 22 34 18 10 2 1 1 2 1 6 18 5 2 1 3 10 3 1 8 10 2 1 4 4 1 13 31 24 100 15 6 15 14 15 40 9 4 5 1 1 3 5 3 4 19 39 8 2 7 3 1 3 5 3 3 2 3 16 25 8 13 10 3 1 1 4 8 5 3 3 7 20 17 19 19 30 25 3 8 29 16 32 39 6 4 1 4 3 7 6 9 6 5 3 5 23 23 8 6 3 8 6 20 9 8 3 3 4 4 2 8 12 8 17 16 6 4 5 11 10 5 5 7 4 13 16 10 2 40 19 25 5 8 4 6 34 5 1 4 4 4 2 1 1 2 2 1 1 5 13 70 12 11 39 7 2 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 1 1 0 1 1 1 0 2 1 2 0 4 3 3 4 4 5 3 5 3 5 4 18 29 12 27 95 40 18 6 4 2 1 1 1 2 0 1 1 1 1 2 3 1 2 3 5 6 1 15 64 37 19 8 2 1 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; 1HNMR: 98 98 s 1H | 77 76 t 1H J 14 | 74 73 m 2H | 72 71 m 4H | 45 44 p 1H J 59 | 37 37 s 2H | 29 27 m 4H | 27 26 ddd 2H J 55 81 119 | 25 25 m 3H | 24 23 s 3H | 22 22 m 2H | 20 18 m 4H | 16 15 ddt 2H J 52 77 117
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc2nc(-c3c(F)ccc(OCCF)c3Cl)c(Nc3ccc4c(c3)OCCO4)n12
ir: 2 5 8 4 9 9 13 8 7 7 6 5 4 8 10 18 21 26 19 16 16 13 8 17 24 22 16 10 7 23 13 11 7 24 8 3 4 6 5 3 4 5 4 1 2 5 3 1 4 7 6 1 41 60 67 36 20 27 12 5 6 5 5 5 17 27 16 30 31 12 33 36 19 8 4 3 10 10 14 6 5 8 6 2 4 4 3 7 15 9 12 7 4 13 20 18 10 3 1 2 4 5 7 5 4 5 9 9 30 10 2 17 12 5 0 4 8 5 8 20 4 6 5 19 17 13 9 5 5 3 5 7 7 32 19 37 22 9 15 18 23 14 11 24 17 6 4 7 13 7 25 6 9 7 11 9 11 3 13 40 6 3 4 2 58 1 3 5 3 0 3 4 3 0 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 3 2 1 3 3 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 3 3 2 3 4 4 3 3 6 6 3 4 5 3 3 5 3 7 16 20 28 20 84 76 60 21 9 11 11 4 2 3 5 3 2 4 4 2 2 3 5 4 4 8 7 34 100 78 42 10 6 7 6 4 3 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 86 85 s 1H | 77 77 dd 1H J 14 80 | 76 76 dd 1H J 68 79 | 73 72 dd 1H J 90 101 | 71 71 dd 1H J 20 88 | 69 69 dd 1H J 48 90 | 68 68 d 1H J 88 | 67 67 dd 1H J 14 69 | 66 66 d 1H J 22 | 48 48 t 1H J 34 | 47 47 t 1H J 34 | 44 43 t 1H J 35 | 43 42 m 5H | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)O[C@@H]2[C@@H](CO)C[C@@H](n3ccc4c(Cl)ncnc43)[C@@H]2O1
ir: 7 8 3 2 5 6 4 6 4 5 9 9 3 14 12 9 4 2 4 3 4 1 0 4 4 1 0 6 8 3 4 22 84 100 13 7 5 9 3 55 25 5 20 18 3 4 7 5 3 5 8 3 4 3 3 1 5 12 2 2 5 8 5 6 14 3 5 3 12 9 12 9 7 7 5 8 5 7 4 5 4 4 6 12 6 6 8 24 80 52 48 32 13 7 4 4 10 15 20 35 22 38 9 17 10 14 5 8 5 6 5 6 4 4 3 10 9 7 4 2 2 3 3 4 3 8 5 9 11 9 10 29 21 8 5 2 1 44 36 6 2 1 2 2 2 2 5 23 50 48 19 6 5 4 26 14 5 51 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 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 2 1 1 1 1 1 1 1 2 2 2 2 3 5 6 6 5 3 4 7 5 8 9 8 11 9 13 20 19 6 4 10 18 17 9 17 17 86 71 16 2 5 5 2 3 3 2 2 2 3 2 2 2 2 2 2 1 3 2 3 1 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 85 85 s 1H | 73 73 d 1H J 76 | 66 65 d 1H J 75 | 49 48 m 1H | 45 45 m 2H | 38 37 dddd 1H J 17 45 52 114 | 36 35 dddd 1H J 17 44 52 114 | 23 23 m 2H | 23 22 m 1H | 21 20 m 1H | 15 14 s 3H | 14 14 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cccn(-c2ccc3ccccc3c2)c1=O
ir: 5 4 9 5 4 4 5 4 4 5 7 64 5 6 16 6 4 5 6 5 4 7 10 10 66 22 4 7 7 4 6 5 4 5 5 7 5 4 4 5 5 6 10 8 8 57 9 5 6 9 11 9 6 5 12 9 5 5 5 5 12 8 7 4 5 6 5 4 19 9 5 4 6 7 15 4 11 17 10 0 100 0 9 8 7 3 6 6 4 8 6 5 4 4 5 5 6 8 7 5 4 4 5 7 6 7 5 4 5 5 5 5 4 4 5 11 4 5 4 6 15 5 6 5 4 5 6 4 4 5 5 4 3 5 8 23 6 13 8 8 24 8 5 5 6 12 10 15 30 15 5 6 8 5 5 5 6 11 7 6 7 8 16 11 6 4 4 4 6 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 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 4 4 5 5 5 5 5 9 10 24 26 41 9 10 6 5 5 6 4 38 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; 1HNMR: 83 82 dd 1H J 13 79 | 82 82 t 1H J 21 | 78 78 m 5H | 76 75 dd 1H J 21 79 | 75 73 dddd 2H J 13 68 80 244 | 68 68 t 1H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1
ir: 16 1 5 3 8 7 13 12 16 13 5 3 1 2 3 1 1 2 1 1 1 0 1 1 0 1 1 1 2 2 3 23 11 3 14 4 2 1 1 3 4 2 0 2 2 5 14 19 38 3 2 0 1 0 1 1 1 0 1 1 1 0 3 1 1 3 6 12 7 3 3 1 2 0 1 2 1 1 5 8 14 42 19 4 0 0 2 3 5 34 10 30 100 23 13 3 2 1 2 2 3 1 0 0 1 1 1 1 26 1 1 1 1 6 6 3 1 4 2 3 2 2 1 1 2 0 10 11 6 3 1 1 0 0 0 0 1 1 1 9 41 4 4 2 2 15 0 1 1 0 0 2 6 2 6 16 3 1 0 1 7 2 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 1 1 0 1 0 1 0 0 1 1 1 1 2 2 4 2 10 81 20 8 1 0 2 4 23 15 4 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 74 t 2H J 21 | 74 74 m 2H | 74 73 dddd 4H J 15 22 73 126 | 42 42 s 1H | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=CC(=O)Cc1ccccc1
ir: 1 1 1 1 1 1 1 2 6 6 5 12 7 5 3 2 1 3 5 7 5 9 22 22 6 10 10 12 14 9 6 8 31 19 18 3 5 5 3 1 8 6 2 2 2 3 1 3 1 1 1 1 1 1 12 18 2 2 1 1 1 0 1 1 1 2 2 4 26 15 10 4 3 1 1 1 4 7 8 3 14 15 7 5 2 1 3 2 9 6 3 2 1 1 2 1 3 8 5 4 1 1 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 5 2 4 2 1 1 2 1 1 1 1 1 3 4 12 18 11 13 10 1 2 2 7 43 99 5 5 5 2 1 1 4 4 1 2 2 1 5 26 25 20 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 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 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 2 2 3 10 4 2 3 3 4 6 22 25 20 21 100 55 12 7 5 2 0 2 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 73 72 m 5H | 56 55 d 1H J 10 | 37 37 q 2H J 8
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN1CCC[C@H]2Cc3nc(NC(C)=O)ncc3C[C@@H]21
ir: 14 4 4 2 3 3 4 3 2 3 3 7 11 16 11 32 16 7 4 2 2 3 3 5 5 3 8 7 15 9 6 5 4 12 69 18 7 39 8 53 4 4 18 3 5 5 3 3 2 2 2 3 5 5 6 4 8 10 5 7 3 3 7 5 2 2 4 3 4 17 24 2 4 2 3 3 2 2 2 2 2 2 5 38 10 6 4 10 6 3 6 6 5 4 4 7 17 11 3 3 3 6 8 5 2 4 2 3 3 6 2 5 4 6 4 5 6 9 8 11 17 5 4 3 1 3 4 4 2 7 9 12 6 2 2 3 8 8 5 4 7 9 29 3 10 31 11 42 35 100 90 21 7 6 4 1 3 24 10 5 3 0 1 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 6 3 2 2 4 6 4 3 5 4 5 5 5 13 14 10 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 4 14 17 37 10 9 11 8 3 3 3 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 99 99 s 1H | 82 82 d 1H J 9 | 32 31 ddd 1H J 9 88 166 | 30 29 m 2H | 28 27 ddd 1H J 9 60 167 | 27 25 m 5H | 24 24 s 2H | 20 19 qt 1H J 44 72 | 19 18 dddd 1H J 45 63 90 126 | 18 17 ddtd 1H J 38 63 90 127 | 17 14 m 5H | 10 9 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccccc1NCc1ccc(Cl)cc1
ir: 7 20 23 25 24 11 4 8 10 25 38 32 32 11 10 11 10 5 8 5 7 5 2 2 3 3 2 2 3 2 2 2 5 5 7 4 2 3 2 2 2 3 11 21 4 4 2 2 7 7 4 4 7 2 26 49 5 3 3 4 1 1 2 1 1 1 1 2 2 4 3 1 1 1 2 2 9 5 2 2 1 1 0 3 2 4 5 7 2 2 1 1 1 8 4 1 1 2 0 2 1 1 1 2 1 3 6 1 1 1 1 1 1 1 1 2 2 4 5 5 4 4 3 9 3 2 1 1 1 1 1 3 4 16 27 16 6 10 6 3 1 1 2 2 6 15 22 9 5 10 29 52 12 31 12 3 7 62 35 10 7 5 4 2 1 1 1 0 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 1 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 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 2 2 5 11 39 7 3 4 6 2 1 1 1 2 2 1 1 2 3 3 5 3 54 58 7 11 10 38 56 54 33 44 34 9 30 100 10 0 3 2 2 0 1 3 1 1 1 2 1 0 1 1 1 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 1 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; 1HNMR: 74 74 m 2H | 74 73 dt 2H J 9 79 | 70 70 ddd 1H J 15 71 79 | 68 67 m 3H | 54 54 t 1H J 58 | 45 45 dt 2H J 9 58 | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H]1COCc2nc3c(N)nc4cc(Br)ccc4c3n21
ir: 6 4 4 4 5 5 4 3 1 4 9 16 8 4 20 17 5 4 4 2 4 5 4 5 17 13 5 4 5 2 3 3 3 3 2 2 4 11 6 3 2 3 1 3 16 5 2 1 7 9 7 9 2 3 2 1 6 4 2 1 5 3 2 2 3 4 1 4 27 6 2 1 2 4 5 2 2 1 2 3 1 1 1 1 3 2 1 1 1 1 1 2 1 3 2 1 2 1 1 2 5 2 1 1 1 1 1 2 5 3 2 3 2 9 2 1 2 4 6 2 1 2 1 2 2 1 2 13 2 2 3 6 1 1 1 2 6 8 3 2 2 3 8 6 2 10 10 4 4 7 40 23 18 27 9 13 4 1 17 16 2 2 1 1 1 1 11 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 2 1 1 2 1 1 1 1 1 1 2 1 2 9 4 7 11 19 4 3 3 3 2 1 1 1 1 1 1 1 1 1 1 1 10 14 2 1 1 1 1 1 1 1 1 2 0 100 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 80 80 m 2H | 76 76 dd 1H J 22 82 | 66 65 s 2H | 47 46 d 1H J 130 | 46 46 d 1H J 132 | 44 43 qdd 1H J 11 38 64 | 39 38 dd 1H J 12 102 | 37 36 dd 1H J 39 102 | 13 13 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C(OCCCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
ir: 3 2 1 2 2 2 2 2 2 2 2 4 3 2 3 2 7 2 5 2 2 1 0 1 2 1 2 8 8 5 14 8 12 11 3 3 1 3 9 26 32 21 4 5 3 2 1 4 2 1 5 16 31 4 66 24 17 8 9 8 4 11 4 2 2 8 6 7 23 17 3 4 6 9 10 7 11 9 11 3 15 11 6 5 4 3 6 9 7 12 8 3 2 2 1 3 5 4 5 6 6 5 5 5 9 5 5 3 2 4 6 4 3 6 3 2 4 3 3 3 1 5 4 9 15 39 25 20 5 3 3 6 11 4 18 34 7 6 6 6 19 1 15 27 9 48 68 7 7 2 1 8 23 57 33 21 10 5 2 0 1 1 1 1 1 1 1 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 0 0 0 0 0 1 0 0 0 1 1 0 1 2 2 1 2 3 2 0 1 2 3 2 8 17 26 100 52 7 4 7 4 0 2 1 1 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 d 2H J 44 | 74 73 m 10H | 65 65 t 1H J 45 | 56 56 s 1H | 39 38 m 4H | 35 35 t 2H J 65 | 27 27 m 4H | 27 26 t 2H J 65 | 18 18 p 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)cc2c1nc(C)n2C(=O)OC(C)(C)C
ir: 3 3 2 6 4 3 4 4 2 7 15 12 5 2 1 2 3 7 3 3 2 5 22 9 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 3 5 3 2 2 2 2 2 4 2 2 2 1 2 3 4 3 3 2 2 5 6 3 7 5 8 8 5 9 6 5 2 2 3 3 3 3 2 2 2 1 2 2 2 2 2 2 2 4 5 3 2 2 2 3 2 3 2 2 2 2 3 2 2 2 5 3 6 11 5 3 2 2 3 2 3 6 5 6 4 3 7 10 24 4 5 7 7 7 7 10 4 3 4 4 0 5 12 17 9 1 1 3 3 1 5 2 2 8 3 0 100 2 2 3 4 4 2 2 2 1 9 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 5 3 2 2 2 2 2 2 4 3 5 4 11 16 8 7 17 12 6 4 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 2 2 2; 1HNMR: 78 78 d 1H J 22 | 74 74 d 1H J 19 | 26 25 s 3H | 25 25 s 4H | 16 16 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1nccc(OCC(F)(F)F)n1
ir: 7 3 3 3 4 3 2 4 9 13 7 16 21 20 3 4 5 3 2 4 4 3 3 4 4 3 3 3 5 4 3 3 4 7 8 43 42 100 7 44 4 0 7 40 23 8 5 5 4 2 4 6 4 2 5 9 5 8 6 5 3 1 4 6 10 12 30 61 23 6 6 7 14 21 9 5 4 3 4 25 24 2 4 5 24 50 23 7 4 5 49 14 15 5 4 4 3 3 4 5 11 10 8 18 28 21 36 9 2 4 6 3 1 9 9 3 2 4 6 9 15 16 10 4 2 4 8 11 7 5 6 3 9 20 68 3 3 4 5 2 2 5 89 3 2 6 20 25 13 6 11 7 10 7 5 4 31 15 5 3 3 5 4 2 3 5 3 2 3 4 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 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 3 2 3 4 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 4 4 2 2 4 4 3 4 7 4 2 5 8 5 3 3 5 4 2 9 10 11 28 19 21 19 3 5 7 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 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 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 86 85 d 1H J 51 | 69 68 d 1H J 51 | 50 49 d 1H J 130 | 49 49 d 1H J 130 | 32 32 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCc1ccc(OC(F)(F)F)cn1
ir: 9 13 5 11 21 12 4 6 3 2 6 8 6 3 4 2 3 2 3 4 3 3 3 2 2 1 3 9 2 3 4 5 13 22 15 6 4 2 4 6 3 2 3 2 2 2 2 2 4 4 8 7 3 5 23 37 12 7 5 2 1 3 1 1 2 2 1 0 3 13 12 0 1 2 1 1 3 2 1 1 2 3 3 1 15 26 36 100 26 30 19 18 5 12 8 11 47 6 13 21 13 18 12 5 5 3 1 1 1 6 3 1 1 1 1 1 1 1 2 2 2 3 4 2 6 4 4 3 6 2 2 2 3 2 3 34 64 10 3 2 1 1 1 1 1 1 2 3 7 15 8 1 2 5 3 1 1 1 1 1 20 6 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 2 1 1 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 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 0 0 1 1 1 1 1 1 1 1 1 1 0 1 5 3 6 9 24 14 12 8 4 4 4 36 68 49 7 2 2 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 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 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 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 82 82 d 1H J 18 | 72 72 dt 1H J 9 79 | 72 71 dd 1H J 18 80 | 44 43 dd 2H J 9 57 | 31 31 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.