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O=C1c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2C(=O)N1Cc1ccc(F)cc1
ir: 1 2 2 6 1 2 4 3 5 4 2 2 9 29 15 34 5 4 3 1 2 1 3 1 1 1 1 1 1 1 2 1 1 5 7 24 2 1 1 2 2 2 8 31 9 2 5 3 17 3 2 4 3 0 28 13 14 5 1 0 2 3 7 2 1 1 1 0 8 3 1 1 1 2 1 1 1 2 7 2 2 1 1 1 2 5 8 4 13 2 1 2 6 2 3 17 5 22 4 16 3 4 12 33 9 4 2 1 1 1 1 1 1 2 3 2 0 94 1 5 7 8 18 13 7 3 0 2 2 1 0 6 12 5 1 2 2 1 0 12 2 1 1 3 4 6 19 100 17 25 8 4 21 4 66 6 1 2 1 1 1 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 0 1 3 2 2 4 5 3 2 62 41 11 13 8 8 6 7 2 1 2 2 3 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 4H | 75 74 m 4H | 74 73 ddt 2H J 9 35 75 | 72 71 m 2H | 52 52 d 2H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc(Cl)c(C=CC(C)=O)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1
ir: 3 1 2 2 1 1 1 1 2 1 3 2 5 5 5 5 5 4 3 6 7 2 2 3 3 3 1 0 0 2 2 1 1 1 2 1 1 3 2 4 5 6 25 59 8 2 3 2 2 4 5 5 5 5 3 14 11 13 3 3 2 2 3 3 4 12 8 4 3 2 3 12 5 5 7 7 3 3 2 1 3 3 1 2 1 1 2 5 3 26 6 1 1 1 1 1 2 3 6 3 2 2 2 4 8 10 8 9 3 10 5 7 17 17 4 16 2 12 13 6 23 4 6 7 13 9 11 4 4 5 6 3 2 4 11 11 21 15 34 6 4 8 3 5 2 7 9 31 21 17 4 6 4 0 2 2 1 0 1 1 1 1 2 1 3 1 1 1 1 0 1 2 1 1 1 2 4 1 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 1 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 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 2 1 2 3 4 3 3 4 8 6 6 4 6 5 11 8 12 18 28 20 66 100 47 13 12 4 3 3 2 3 2 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 79 79 dd 1H J 16 78 | 77 77 d 1H J 165 | 76 75 m 2H | 75 74 m 3H | 70 70 dq 2H J 9 73 | 68 67 dq 1H J 11 165 | 54 54 t 2H J 9 | 39 39 s 2H | 27 27 t 2H J 70 | 23 23 d 3H J 11 | 17 16 p 2H J 67 | 15 14 m 2H | 10 9 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nnc2n1-c1ccc(-c3ccc(=O)[nH]c3)cc1N(c1ccc(C#N)cc1)C[C@H]2C
ir: 7 4 3 3 4 5 6 5 7 6 5 3 2 3 7 4 5 9 5 5 4 6 3 4 7 9 10 7 10 5 3 3 3 7 8 3 6 6 5 12 4 5 5 23 100 12 8 3 3 4 3 5 4 13 6 23 77 26 6 6 5 3 4 5 7 6 11 6 11 5 23 5 3 5 8 3 5 6 10 13 4 4 3 3 10 4 2 3 5 8 6 4 4 5 4 2 3 3 4 5 5 5 2 2 4 3 7 10 4 3 2 2 3 4 3 13 4 3 5 6 5 4 3 7 5 9 6 4 4 4 3 3 7 4 3 3 5 6 4 7 5 5 11 16 17 10 10 73 58 11 10 13 5 7 41 56 8 2 4 4 4 0 25 2 3 6 19 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 7 2 2 2 2 2 2 2 2 3 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 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 3 2 2 2 3 3 3 2 3 3 3 3 4 4 4 5 5 4 9 6 7 33 81 32 47 17 12 6 8 4 3 3 2 3 2 3 2 3 3 2 3 2 3 4 5 18 18 11 16 6 4 2 4 3 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 77 76 m 2H | 76 75 m 2H | 74 74 d 1H J 84 | 73 72 dd 1H J 21 83 | 71 71 m 2H | 70 70 d 1H J 22 | 68 68 d 1H J 100 | 46 45 dd 1H J 53 128 | 44 43 dd 1H J 60 129 | 39 38 m 1H | 25 24 s 3H | 16 15 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1cc(I)ccc1Cl
ir: 2 2 2 2 2 3 2 2 2 2 2 2 2 3 3 3 3 4 9 3 1 5 14 13 5 1 2 6 3 1 2 3 2 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 18 6 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 3 5 2 3 3 9 6 3 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 3 2 2 2 2 2 8 5 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 1 2 43 2 6 3 6 2 2 2 3 2 2 2 2 2 2 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 3 2 1 5 7 4 1 2 3 4 1 3 6 86 100 1 0 3 5 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 81 81 d 1H J 21 | 77 77 dd 1H J 22 77 | 73 73 d 1H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nn(CCc2ccccc2)c(-c2ccc(F)cc2)c1Br
ir: 3 2 1 1 2 1 1 4 5 3 4 31 13 3 3 3 2 2 2 1 2 4 1 2 2 1 1 2 2 5 14 10 14 3 2 5 5 4 8 73 100 18 9 18 14 3 2 3 2 1 2 4 3 5 58 32 3 1 3 2 2 1 3 6 10 13 5 4 26 3 14 8 2 3 2 3 2 6 11 3 1 1 4 3 1 1 1 8 2 11 5 3 1 1 2 2 4 6 8 5 2 4 4 1 2 6 5 10 2 15 15 4 1 6 11 6 4 6 4 17 4 7 4 15 11 8 2 3 5 11 3 2 2 4 8 13 6 5 2 2 2 5 6 56 55 8 18 23 10 4 5 26 25 6 3 1 1 2 2 2 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 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 2 2 1 3 3 4 5 9 8 4 3 5 6 7 5 15 38 55 26 41 82 73 30 13 4 11 12 6 4 2 2 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 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 m 2H | 73 72 m 3H | 72 71 m 4H | 44 43 t 2H J 53 | 31 30 tt 2H J 8 54 | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCC=CCCCCCCCC
ir: 1 2 0 0 1 1 0 1 3 1 1 1 1 1 1 1 1 1 1 1 3 1 1 2 1 1 1 3 6 2 2 3 3 0 11 15 30 85 49 44 34 11 8 12 5 5 4 2 4 4 3 2 3 3 1 4 3 3 3 2 2 2 2 7 2 5 6 1 3 2 1 1 2 2 3 0 3 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 2 3 2 2 3 2 2 2 7 6 7 3 8 17 17 33 40 49 48 22 5 11 15 10 15 21 42 49 26 21 13 12 10 13 18 6 9 7 10 3 2 8 7 7 10 8 21 13 20 7 4 2 2 3 3 1 1 2 1 0 0 1 1 0 9 9 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 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 1 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 7 14 35 37 19 21 14 8 19 15 16 33 46 100 97 49 24 11 5 4 3 2 2 2 0 2 1 0 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 54 53 m 2H | 20 19 m 4H | 13 12 m 24H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=CC1C(=NNC(=O)c2cccnc2)[N+]([O-])=c2ccccc2=[N+]1[O-]
ir: 11 9 15 53 20 14 1 11 14 9 8 14 18 8 5 7 9 6 20 27 12 14 9 10 10 7 5 14 9 4 6 9 13 9 8 18 71 100 29 45 11 10 65 55 33 13 5 22 21 3 6 10 5 1 4 10 9 5 5 10 5 1 9 19 7 1 9 11 14 26 12 11 5 10 25 7 7 6 8 15 24 4 8 8 3 2 6 6 3 4 8 7 3 4 7 9 10 18 13 10 18 10 14 8 2 12 10 7 3 7 15 72 7 61 18 6 5 7 10 6 7 19 26 13 4 11 14 7 1 6 7 4 6 14 44 9 7 21 77 20 8 11 11 11 22 41 62 35 15 74 43 14 16 16 14 48 21 10 12 4 18 21 11 1 5 8 5 1 4 8 4 0 4 8 4 0 4 8 3 1 5 7 3 1 5 6 3 1 5 6 3 1 5 6 2 2 5 6 2 2 6 6 2 2 6 5 2 3 6 5 1 3 6 5 1 3 6 4 1 3 7 4 1 4 7 4 1 4 7 4 1 4 7 4 1 4 7 3 1 5 6 3 2 5 6 3 2 5 6 3 2 5 6 3 2 5 6 2 3 5 5 2 3 6 5 2 3 7 5 2 3 6 5 2 4 7 5 3 8 12 10 24 22 8 8 8 54 44 44 26 17 10 4 3 6 7 5 2 5 7 4 3 6 7 5 3 7 8 10 18 34 74 15 21 16 30 8 4 6 7 3 4 6 5 2 3 6 5 2 3 6 5 2 3 6 4 1 4 6 4 1 4 6 4 1 4 6 4 1 4 6 3 2 4 6 3 2 4 6 3 2 5 5 3 2 5 5 3 2 5 5 3 3 5 5 2 3 5 5 2 3 5 4 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 1; 1HNMR: 96 96 d 1H J 99 | 90 90 t 1H J 18 | 87 87 ddd 1H J 16 26 45 | 85 85 dd 1H J 16 83 | 82 81 dt 1H J 23 79 | 78 78 dd 1H J 16 84 | 77 76 m 2H | 75 74 dd 1H J 48 79 | 62 62 d 1H J 99
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(C=C(c1ccccc1Cl)n1cncn1)c1ccccc1
ir: 1 1 1 1 3 4 2 1 2 2 3 7 1 1 1 1 1 1 1 5 1 1 1 2 0 1 1 1 1 4 6 9 36 47 22 40 6 4 4 12 13 24 23 6 10 11 6 4 3 1 1 1 3 2 1 0 1 1 1 1 1 1 2 10 5 5 1 4 4 6 1 1 17 15 6 7 2 2 2 5 1 2 2 1 1 0 2 19 1 1 1 1 5 2 1 1 2 3 12 19 10 9 4 5 3 2 4 1 1 1 1 2 4 1 0 1 2 3 2 2 1 2 2 2 2 3 4 1 12 7 7 10 5 3 5 5 1 39 1 2 1 8 8 6 2 7 12 22 3 1 4 3 3 1 1 1 1 0 0 1 1 0 2 2 5 1 1 1 1 0 1 1 1 0 2 23 32 4 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 0 1 1 1 1 0 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 3 12 4 56 53 46 100 74 4 4 3 1 1 2 5 1 1 1 0 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 1 0 0 0 0 0 0 0 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 84 d 1H J 16 | 82 82 d 1H J 16 | 80 80 m 2H | 77 77 dd 1H J 21 65 | 76 74 m 4H | 74 74 s 1H | 74 73 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)CCNC21CCN(C(=O)/C=C/c2ccccc2C(F)(F)F)CC1
ir: 4 2 3 1 2 6 1 2 3 7 8 4 1 4 4 4 1 1 2 1 0 1 2 3 12 2 2 1 2 1 2 3 1 8 6 2 13 3 4 23 11 6 23 22 3 5 1 1 1 3 4 2 1 4 2 33 4 4 1 2 1 2 1 3 2 7 9 3 7 23 10 8 4 2 1 3 2 1 1 1 3 7 6 1 3 8 3 1 3 1 1 1 4 12 4 2 0 3 6 52 5 4 1 2 1 3 4 3 4 24 1 3 15 4 6 5 9 11 16 9 65 17 7 4 9 9 5 13 4 4 5 9 19 3 8 11 9 17 2 1 8 13 2 2 2 1 1 19 8 15 38 6 5 3 4 3 1 1 1 1 1 0 26 1 1 0 3 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 3 3 2 2 2 2 4 9 28 24 100 17 7 2 0 2 2 2 0 2 2 2 1 1 1 2 2 2 6 23 89 19 8 3 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 79 78 ddd 1H J 14 64 104 | 77 77 m 1H | 77 76 ddd 1H J 7 15 70 | 72 71 d 1H J 85 | 68 67 dd 1H J 22 84 | 66 66 dt 1H J 9 20 | 66 65 d 1H J 152 | 38 38 ddd 2H J 35 62 130 | 38 38 s 2H | 35 34 m 3H | 31 31 q 2H J 41 | 30 29 m 2H | 24 23 ddd 2H J 37 64 134 | 22 21 ddd 2H J 35 62 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNc1ccc(-c2ccccc2)cc1N
ir: 4 8 16 13 30 33 7 9 12 11 20 36 36 30 7 10 11 15 7 6 6 4 6 7 3 5 3 4 5 5 6 7 2 3 2 1 2 2 2 1 4 49 14 3 2 3 2 3 1 1 2 1 1 4 13 13 3 1 1 2 2 2 1 2 2 2 2 9 4 1 3 3 2 2 3 3 2 2 2 17 9 2 1 1 1 1 1 1 1 1 1 2 5 1 1 1 1 1 1 1 1 1 1 1 2 6 3 1 1 1 2 1 1 1 1 1 1 2 2 2 5 8 8 4 3 2 3 2 1 1 3 2 7 21 6 28 3 2 2 1 1 2 27 15 3 6 2 5 14 37 41 16 7 6 2 1 3 93 23 31 4 0 2 2 2 1 1 1 1 0 1 1 1 0 1 1 1 0 0 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 5 9 100 20 10 2 2 2 1 1 1 1 1 2 1 2 2 1 2 1 18 21 3 6 6 21 19 23 55 9 5 4 23 57 4 0 1 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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; 1HNMR: 75 75 m 2H | 75 74 m 2H | 74 73 m 1H | 72 72 dd 1H J 22 82 | 69 69 d 1H J 21 | 69 68 d 1H J 82 | 63 62 q 1H J 52 | 41 41 s 2H | 30 29 d 3H J 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C(=O)NC1c1ccoc1
ir: 15 4 7 4 4 3 5 2 0 3 5 2 1 4 9 3 2 5 8 4 2 5 7 3 1 5 8 3 2 5 4 3 6 6 6 3 17 16 13 23 72 100 31 31 20 10 5 1 4 9 4 1 4 6 3 0 3 6 3 3 7 9 7 8 9 9 3 2 4 16 13 0 4 6 2 1 4 5 2 4 15 13 22 17 7 6 7 6 6 9 4 4 20 19 21 7 11 9 4 4 7 10 8 29 3 4 4 4 3 4 2 4 6 10 15 5 6 10 9 14 30 24 12 12 11 5 1 5 9 4 2 4 6 3 4 6 4 2 2 4 4 14 3 4 4 2 3 8 9 15 2 21 82 93 12 5 7 10 5 5 3 2 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 1 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 2 4 4 5 3 4 3 1 3 4 3 2 5 5 4 8 21 8 9 7 17 23 16 8 4 8 4 2 3 4 3 2 3 4 2 2 3 4 3 3 4 4 12 78 13 5 3 3 6 8 5 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 74 74 ddd 2H J 9 18 94 | 67 67 d 1H J 71 | 64 64 q 1H J 8 | 46 45 dddd 1H J 11 19 37 81 | 12 12 d 3H J 15 | 12 12 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(NC(=O)Nc2ccc(OCCN(C)C)c(-c3ccnn3C)c2)c1
ir: 4 6 3 6 12 7 5 6 21 24 11 7 8 8 24 8 6 4 6 11 4 7 8 12 12 23 9 6 7 4 6 4 5 4 2 4 5 4 6 6 16 42 36 51 24 17 15 90 43 27 11 17 22 21 32 75 18 15 10 5 5 5 4 2 6 6 19 43 45 8 8 3 6 6 4 4 4 7 7 4 13 15 5 5 8 10 16 27 11 8 5 5 14 19 27 28 9 5 4 12 6 13 18 22 8 38 0 7 5 12 4 4 3 3 2 3 5 4 3 7 7 6 3 5 4 13 11 4 3 3 3 9 37 7 4 5 16 7 5 10 8 28 21 9 3 4 6 10 15 50 20 11 11 59 75 31 44 13 8 3 5 11 29 12 19 8 5 4 3 3 2 2 2 2 2 3 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 3 3 3 2 3 4 4 3 4 3 4 4 3 7 6 14 11 45 39 72 35 22 11 5 4 3 5 4 4 5 4 3 3 4 5 3 3 5 7 8 17 100 43 70 23 10 6 4 5 2 2 4 3 3 3 3 3 3 3 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 88 88 s 1H | 87 87 s 1H | 76 76 d 1H J 21 | 75 75 d 1H J 33 | 74 74 dd 1H J 21 89 | 74 73 ddd 1H J 12 21 81 | 73 72 t 1H J 21 | 72 72 t 1H J 79 | 70 69 d 1H J 89 | 69 69 ddd 1H J 12 21 77 | 65 65 d 1H J 33 | 43 42 t 2H J 66 | 38 38 d 6H J 27 | 31 30 t 2H J 66 | 25 25 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(F)F)c(F)cc1I
ir: 2 3 1 4 4 5 7 4 3 4 3 1 1 1 1 1 1 1 1 3 3 2 1 3 10 7 3 2 2 2 1 1 1 2 2 2 4 3 2 1 1 1 2 2 1 2 3 1 2 1 1 1 1 1 1 1 2 2 2 5 10 1 3 4 2 4 15 100 33 10 3 3 4 9 9 3 7 3 1 1 1 1 1 1 1 1 2 3 1 9 11 1 2 1 1 1 4 5 14 9 0 1 2 1 0 1 1 1 1 1 2 2 1 2 2 1 3 1 2 1 2 2 1 3 18 14 3 2 0 1 1 1 1 1 1 1 1 2 13 6 1 1 1 1 1 2 3 3 1 1 4 36 63 10 4 1 1 1 1 0 1 3 2 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 3 5 7 16 28 6 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 121 | 70 70 dtd 1H J 7 29 36 | 68 68 m 1H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNC(=O)Nc1cc(-c2ccc(F)nc2)ccn1
ir: 2 2 2 5 8 3 2 2 1 2 2 2 2 2 2 2 2 13 14 5 4 2 3 4 5 2 3 4 9 2 2 4 5 3 21 15 9 8 13 23 100 63 24 20 7 13 8 8 14 2 3 5 3 17 26 2 7 5 2 1 2 3 2 0 16 5 4 15 15 20 4 4 6 10 9 6 4 6 3 3 3 4 5 10 4 2 3 2 2 4 2 2 3 2 4 2 2 2 2 2 2 17 4 2 1 2 2 2 11 3 3 3 5 6 8 3 3 5 5 9 4 5 5 3 2 3 4 3 4 4 2 2 3 9 14 16 4 2 1 2 3 2 4 4 4 3 12 11 5 26 72 35 19 5 22 2 3 5 9 3 4 4 3 4 13 12 5 2 2 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 2 1 2 2 2 1 2 2 4 4 9 5 8 6 7 17 6 4 5 3 2 2 3 2 1 2 2 2 1 2 2 3 3 4 3 10 5 23 58 53 28 5 7 4 4 4 2 3 2 2 2 2 1 1 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 88 87 dd 1H J 19 36 | 87 86 s 1H | 84 84 d 1H J 47 | 81 80 ddd 1H J 19 37 79 | 79 78 d 1H J 22 | 74 74 dd 1H J 21 48 | 72 71 dd 1H J 80 101 | 64 64 t 1H J 38 | 33 32 qd 2H J 37 61 | 12 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C2COc3c(ccc(OC(C)=O)c3C)C2O)ccc1OC(C)=O
ir: 1 6 4 3 2 3 5 4 5 5 7 4 4 8 6 5 4 10 10 14 9 12 3 13 21 44 10 11 12 7 9 5 4 6 5 7 6 8 4 10 5 5 6 11 4 3 3 4 11 8 4 5 3 16 37 77 17 10 5 2 3 6 8 3 8 8 6 16 25 29 34 13 8 8 6 5 12 15 7 4 8 11 12 18 58 56 50 38 10 6 2 5 7 5 4 5 14 19 17 5 11 8 2 4 10 7 3 6 5 3 2 4 10 9 4 4 6 12 9 14 13 19 22 30 90 24 7 8 6 7 1 4 5 3 5 5 5 2 2 4 8 18 21 32 58 51 9 8 8 6 13 18 14 13 8 7 4 1 2 7 10 1 4 5 2 1 2 4 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 1 2 2 1 1 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 2 1 2 2 2 1 2 2 1 2 3 2 3 3 6 5 3 2 3 4 6 6 5 6 13 9 22 15 42 13 33 29 100 54 22 8 13 5 4 10 59 8 6 2 0 3 4 2 1 2 3 1 1 2 3 1 1 2 3 2 2 4 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 73 73 m 1H | 71 70 d 1H J 84 | 70 69 dd 2H J 21 82 | 68 68 dd 1H J 7 20 | 54 54 m 1H | 45 44 dd 1H J 49 114 | 41 40 dd 1H J 49 114 | 38 38 s 3H | 35 34 ddd 1H J 44 52 79 | 34 33 d 1H J 48 | 27 27 s 3H | 23 23 s 3H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(F)c1-c1cccc(Br)c1
ir: 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 3 8 2 0 1 2 1 1 4 2 1 0 1 2 2 1 17 40 20 3 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 2 6 11 5 6 6 4 3 2 4 2 2 2 4 14 5 2 2 2 1 1 8 4 1 1 1 1 1 2 2 1 0 2 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 2 3 1 1 2 6 2 1 1 2 1 0 1 1 1 1 2 6 10 3 2 4 26 11 3 1 1 1 2 1 1 1 1 2 2 1 7 2 9 5 3 2 1 5 5 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 1 1 2 1 1 2 2 4 1 8 100 29 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 1 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 ddd 1H J 13 22 79 | 74 74 q 1H J 21 | 74 73 dtd 1H J 13 21 77 | 73 72 m 3H | 69 68 dd 1H J 12 76 | 39 39 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCCNc1ccc(NCCN)c2c1C(=O)c1c(O)ccc(O)c1C2=O
ir: 3 2 4 2 2 8 3 5 3 3 3 6 4 7 14 10 4 4 3 7 6 4 4 6 10 23 22 22 30 55 24 7 19 5 7 2 6 10 5 0 2 57 83 38 10 2 3 10 4 5 3 3 11 28 33 28 13 36 20 44 23 10 8 5 6 4 4 3 11 11 29 61 17 10 5 6 4 3 3 5 5 29 9 3 4 10 10 7 13 22 22 10 4 4 4 5 9 8 11 6 7 6 7 4 3 6 5 4 9 7 4 3 4 3 20 17 17 20 5 5 8 11 30 19 12 7 8 7 6 5 5 11 18 100 31 26 14 21 14 6 3 4 3 2 5 54 21 5 5 11 29 43 29 13 5 3 3 7 3 1 4 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 3 2 2 3 5 7 5 6 27 16 13 19 26 70 7 8 11 3 2 7 9 12 33 10 10 22 14 9 9 8 51 53 32 39 45 31 12 8 6 7 4 3 3 3 3 2 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 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: 77 77 t 2H J 48 | 73 73 s 2H | 71 70 s 2H | 34 33 dt 5H J 39 47 | 30 29 tt 5H J 39 62 | 14 13 t 5H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccnc(-c2cc(C(=O)O)nn2-c2ccc(OC)nn2)c1
ir: 2 1 4 1 1 1 3 5 5 3 3 3 1 3 6 5 6 5 6 3 5 2 6 100 4 4 4 5 3 3 3 1 2 3 7 9 4 2 2 0 2 2 1 3 1 4 3 1 2 2 2 1 2 6 20 3 2 3 2 1 2 3 3 13 4 14 6 9 7 18 10 2 7 14 12 2 5 6 16 23 2 2 1 1 2 2 1 1 2 5 3 2 2 2 2 1 4 5 2 1 2 1 1 1 2 2 4 5 4 2 0 1 2 7 3 2 3 3 2 3 3 1 1 2 5 5 9 4 3 2 2 5 3 1 2 8 18 3 2 3 2 2 1 5 4 6 4 31 7 17 3 3 2 2 1 2 2 8 4 6 2 1 4 20 3 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 2 1 3 3 5 29 14 17 4 3 2 2 2 0 6 35 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 46 | 86 86 d 1H J 82 | 79 78 s 1H | 77 76 d 1H J 82 | 73 73 d 1H J 22 | 67 67 dd 1H J 21 47 | 39 39 s 3H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]c(C)c(c34)C[C@H]2N(C)C1
ir: 8 5 3 5 5 19 6 6 6 6 5 5 10 8 4 3 3 3 8 5 3 11 11 17 21 11 20 5 70 11 7 5 5 5 5 12 42 100 16 12 6 3 3 5 8 4 96 40 9 7 9 2 2 2 3 4 19 0 4 4 3 4 3 5 4 3 10 18 10 6 12 15 5 12 11 23 7 12 6 20 20 5 8 7 18 3 4 3 11 7 3 4 27 11 12 13 4 10 16 11 5 10 8 10 8 7 14 7 25 38 25 15 5 7 16 11 8 9 20 14 9 19 19 6 11 7 5 12 11 9 19 8 15 13 33 18 6 7 25 17 10 8 6 7 12 8 44 39 4 10 5 2 4 12 7 1 2 5 5 16 31 5 5 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 3 3 2 3 2 1 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 2 3 2 2 2 2 3 4 5 4 4 4 5 9 7 9 6 10 7 10 5 16 32 13 22 41 39 6 6 6 4 3 4 4 2 2 2 3 3 2 3 8 10 4 5 4 7 8 24 79 64 71 81 11 7 7 8 8 5 2 3 2 2 2 3 2 1 2 3 2 2 2 2 2 1 2 3 2 1 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 79 79 s 1H | 70 70 m 2H | 70 69 m 1H | 61 61 d 1H J 88 | 38 37 m 1H | 31 29 m 4H | 27 27 dd 1H J 43 141 | 27 26 dd 1H J 46 117 | 24 23 s 2H | 23 23 d 3H J 14 | 23 22 ddd 1H J 42 75 137 | 20 20 ddd 1H J 48 69 139 | 18 17 m 2H | 15 14 m 2H | 11 11 s 2H | 9 8 t 6H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCNC1=Nc1ccccc1N1CCOCC1
ir: 3 3 4 3 3 4 8 7 3 3 4 3 5 4 4 4 5 4 3 9 12 6 5 3 3 3 3 5 5 6 6 5 7 9 19 7 8 11 6 5 4 10 6 3 23 13 4 2 2 7 6 3 2 3 2 4 3 3 3 4 3 2 3 2 4 3 4 4 7 3 2 3 11 8 9 3 3 4 7 3 3 3 5 2 2 3 3 3 5 3 2 3 3 3 5 3 3 3 3 5 4 3 8 3 2 3 3 3 5 4 5 3 3 3 4 5 3 10 4 6 3 5 16 3 4 5 4 8 5 4 3 4 3 28 3 3 3 4 6 3 3 2 2 4 4 8 3 4 5 10 5 6 100 27 5 0 10 3 2 3 5 5 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 3 3 2 2 3 4 6 5 6 22 9 4 3 2 2 2 3 2 2 2 2 2 2 2 2 3 3 2 3 3 3 4 6 24 11 18 13 17 3 3 2 2 2 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 2H | 71 71 dd 1H J 15 81 | 69 68 dd 1H J 16 66 | 57 57 t 1H J 17 | 37 37 m 4H | 34 34 ddd 4H J 17 33 98 | 33 32 m 4H | 31 30 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1)OC
ir: 3 5 4 6 7 9 12 3 7 11 32 13 26 28 34 7 5 3 1 3 9 6 2 2 6 22 4 5 4 1 1 1 3 7 2 2 2 1 1 2 2 7 22 10 4 5 3 5 4 2 3 7 6 72 13 19 50 7 4 4 4 3 10 15 47 15 6 3 5 20 6 5 5 3 6 5 7 22 42 18 10 59 13 22 65 5 15 4 11 11 24 28 10 48 12 8 7 5 9 9 7 7 3 4 1 1 3 1 1 1 2 1 1 1 2 1 2 3 13 7 6 7 7 26 12 14 4 2 5 3 5 6 10 3 1 1 1 1 2 1 1 1 2 0 1 18 39 33 4 4 3 3 13 2 1 0 1 1 1 1 6 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 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 1 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 1 1 1 2 1 1 1 2 3 2 1 3 3 2 2 4 4 17 32 100 50 8 16 8 23 3 6 1 2 1 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 2H | 75 75 m 2H | 75 74 m 2H | 73 73 dq 2H J 9 79 | 47 46 dtq 1H J 15 29 44 | 45 45 t 2H J 9 | 36 35 d 2H J 44 | 33 33 d 6H J 15 | 24 24 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@@H](CO)NC(=O)CNC(=O)OC(C)(C)C
ir: 4 5 5 2 1 1 2 2 2 5 2 2 1 2 2 2 2 4 5 6 4 7 5 3 7 7 8 12 21 9 3 2 5 5 5 13 6 8 5 6 6 19 5 3 3 3 3 5 2 1 4 2 2 1 2 1 1 1 3 0 3 2 3 1 1 2 0 2 2 2 2 1 2 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 4 5 7 6 7 11 15 5 9 6 2 1 1 1 1 0 1 2 2 1 4 8 1 2 1 2 1 2 6 3 5 4 3 2 1 1 1 1 2 2 2 2 1 2 1 2 7 2 1 1 18 100 8 8 4 24 22 14 41 4 3 1 1 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 2 1 1 1 2 5 3 3 10 9 2 2 1 2 1 7 10 7 4 2 1 3 2 1 0 1 1 1 2 2 1 2 2 6 3 7 20 78 6 2 3 1 2 0 0 1 1 0 0 1 1 0 1 2 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 64 63 d 1H J 95 | 63 63 t 1H J 63 | 57 56 ddtd 1H J 16 82 110 164 | 52 51 ddt 1H J 13 24 165 | 51 50 m 1H | 39 38 m 2H | 38 37 m 2H | 35 34 m 2H | 24 23 dddt 1H J 14 69 82 150 | 22 21 dddt 1H J 14 68 82 149 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1-c1cc(F)c(F)c2c1OC(CN)C2
ir: 1 1 1 1 6 4 1 1 1 1 0 1 2 1 1 1 2 1 0 1 1 1 1 1 2 1 2 2 2 0 1 1 1 0 1 3 6 8 2 2 3 2 13 8 1 3 7 3 3 2 13 6 3 3 2 4 3 3 11 19 30 7 2 3 1 7 5 5 14 11 15 54 11 26 13 12 7 3 2 5 3 11 7 3 3 1 3 5 1 3 3 3 1 2 3 2 1 1 1 3 3 2 1 1 2 2 2 3 1 1 1 1 1 2 1 1 2 1 1 2 1 3 5 2 2 2 11 6 8 19 6 5 18 17 25 100 5 10 3 2 1 5 4 0 0 4 5 6 2 0 1 3 1 0 1 1 1 1 0 1 1 5 1 0 1 0 0 0 1 1 0 1 0 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 2 3 3 1 1 2 2 3 1 3 10 5 5 35 18 2 1 2 2 2 1 2 1 3 2 2 5 5 21 26 4 4 7 3 9 16 23 2 3 2 1 1 1 1 0 1 1 1 0 1 0 1 0 0 1 0 0 0 0 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 1H J 12 77 | 74 73 m 2H | 73 72 td 1H J 13 76 | 72 72 dd 1H J 48 121 | 49 48 tt 1H J 27 56 | 34 32 m 2H | 32 31 m 1H | 31 30 dtd 1H J 27 64 119 | 24 23 d 3H J 7 | 18 18 t 2H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H](N)CCC(=O)O
ir: 1 1 1 3 2 3 3 7 3 3 5 3 7 6 2 1 1 5 7 17 46 48 30 11 6 4 2 1 0 1 1 2 1 1 1 1 0 1 1 1 1 1 1 2 5 2 1 1 1 3 4 3 1 1 2 2 1 1 2 3 2 2 2 12 9 6 11 43 12 3 9 35 11 0 3 4 9 49 100 13 8 4 13 18 5 4 5 4 2 1 0 1 0 1 1 2 4 7 5 1 1 1 1 1 1 2 2 1 5 3 7 5 3 1 0 1 1 4 9 2 7 11 5 7 2 18 11 10 8 1 4 8 21 28 11 9 3 4 2 2 1 3 8 16 24 5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 2 3 2 1 1 3 2 1 2 5 13 7 3 0 1 1 0 0 0 1 1 0 8 8 5 4 6 7 15 12 16 3 3 6 5 38 50 5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 53 53 d 2H J 64 | 37 37 s 2H | 36 35 p 1H J 63 | 24 22 m 2H | 22 21 dtd 1H J 60 87 147 | 19 18 dtd 1H J 59 87 146
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
ir: 12 37 7 12 11 6 5 31 32 45 14 15 18 13 11 12 11 5 2 7 9 4 2 7 10 13 5 10 10 9 27 18 10 6 4 9 7 1 3 9 9 2 4 11 7 2 7 20 7 12 9 40 28 30 49 60 55 22 10 17 27 4 27 9 6 4 11 15 19 7 14 13 8 7 7 17 45 29 62 70 9 1 23 21 100 60 95 7 7 6 9 8 4 7 12 20 14 8 12 8 3 5 14 6 2 5 10 9 6 9 10 7 2 7 15 10 10 11 16 13 16 10 15 5 10 21 21 6 4 14 29 10 24 28 11 4 2 7 8 3 2 7 8 3 4 12 74 20 8 10 7 2 10 8 6 1 3 8 5 1 3 9 5 0 4 9 5 0 4 9 4 0 5 9 4 0 5 9 4 1 5 8 4 1 5 8 3 1 6 8 3 2 6 7 3 2 6 7 2 2 7 7 2 3 7 6 2 3 7 6 1 3 8 6 1 4 8 5 1 4 8 5 1 4 8 5 0 4 9 4 1 5 9 4 1 5 8 4 1 5 8 4 1 6 7 3 2 6 7 3 2 6 7 3 2 7 7 2 3 7 7 2 3 7 6 2 3 8 6 3 10 10 7 3 9 10 8 11 6 13 9 4 8 29 27 7 56 42 36 8 9 13 6 2 6 9 4 2 6 7 3 2 6 7 3 2 6 7 3 2 6 6 3 3 6 6 3 3 7 6 2 3 7 6 2 3 7 5 2 4 7 5 2 4 7 5 1 4 8 5 1 4 8 4 1 5 8 4 1 5 7 4 2 5 7 4 2 5 7 3 2 6 7 3 3 6 6 3 3 6 6 3 3 6 6 3 3 6 6 2 3 7 5 2 4 7 5 2 4 7 5 2 4 7 5 2 4 7 5 1; 1HNMR: 74 73 m 2H | 72 71 m 2H | 42 41 dtd 1H J 8 16 82 | 37 37 s 2H | 35 33 m 8H | 26 26 s 2H | 25 25 s 2H | 23 22 dp 1H J 57 81 | 20 19 dddd 2H J 58 67 95 117 | 17 16 dddd 2H J 57 66 93 115
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(CCN)cc1O
ir: 4 7 7 10 17 21 10 23 18 15 4 5 3 4 4 4 3 4 4 4 5 6 7 4 3 4 4 3 3 4 3 3 3 3 4 4 4 4 4 4 4 5 5 4 6 5 4 5 4 5 6 22 16 13 12 4 5 5 5 6 5 5 4 4 6 5 3 3 5 7 5 4 14 34 15 5 6 19 7 9 7 9 15 10 5 5 4 4 5 3 4 4 4 12 14 6 4 4 3 5 6 5 4 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 4 4 6 4 4 4 4 7 5 4 4 8 6 9 9 6 14 15 7 3 4 4 3 3 4 5 8 4 3 3 4 4 8 8 5 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 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 4 3 3 4 4 3 3 3 3 4 4 4 4 13 18 7 4 4 5 4 5 6 59 40 16 6 6 8 10 12 15 4 4 9 8 0 100 53 4 5 9 4 3 3 4 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 4 3 3 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 68 67 d 1H J 81 | 66 66 m 2H | 60 59 s 1H | 38 38 s 2H | 30 29 dddd 2H J 11 50 67 104 | 29 29 td 2H J 9 66 | 28 28 tt 2H J 9 49
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(Oc2ccc(NC(=O)C3(N)CCC3)cn2)ccc1C
ir: 7 4 1 5 7 5 2 3 5 3 1 4 5 2 1 4 4 2 1 4 5 2 1 4 4 2 1 4 4 2 4 5 18 5 12 9 14 12 25 12 8 7 10 14 7 8 9 16 4 0 4 10 10 6 90 100 9 17 35 14 22 33 23 21 13 7 14 11 13 15 6 8 3 3 4 4 7 6 18 15 3 3 4 4 5 6 15 5 4 5 4 5 4 3 4 4 1 5 5 20 8 5 6 5 4 5 6 8 6 5 7 3 1 6 6 4 2 3 5 3 1 4 5 3 7 6 7 4 1 6 6 12 25 56 52 62 24 14 14 8 8 9 27 48 41 11 5 5 4 14 19 46 25 15 6 5 2 4 2 2 3 8 17 8 3 4 3 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 3 3 2 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 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 3 2 2 3 3 1 3 4 4 9 4 6 3 2 4 8 14 16 20 21 46 18 5 5 4 3 2 4 2 2 3 4 8 20 46 28 11 3 3 5 35 59 64 31 17 10 4 3 2 2 2 3 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 99 99 s 1H | 85 85 d 1H J 18 | 78 78 dd 1H J 18 86 | 72 71 dd 1H J 23 85 | 71 71 dq 1H J 9 84 | 68 67 d 1H J 86 | 65 65 d 1H J 22 | 39 38 s 2H | 38 38 s 3H | 22 21 m 5H | 20 19 dt 2H J 76 141 | 18 16 pd 2H J 18 76
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](c1ccccc1)N1C[C@H](C2(C(=O)O)CCC2)[C@H](F)C1=O
ir: 3 2 1 1 2 1 0 2 3 5 2 3 9 7 1 3 3 4 2 6 6 3 3 21 58 17 7 5 5 4 4 5 9 4 3 2 2 2 2 5 3 2 6 3 2 2 2 2 2 0 1 2 1 0 2 4 4 1 1 2 2 3 2 2 2 1 2 4 3 1 3 3 2 4 4 4 7 12 10 4 2 2 2 2 1 1 2 2 2 2 2 4 7 2 2 2 3 2 5 7 10 4 7 3 1 3 3 2 1 4 5 2 2 4 6 3 2 2 3 2 1 2 3 2 1 2 2 2 1 3 2 2 6 12 4 5 1 3 3 1 1 3 4 5 10 13 3 3 11 13 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 3 1 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 4 3 2 2 2 3 7 5 6 10 5 2 3 3 1 1 2 4 13 82 100 10 3 0 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 73 72 m 5H | 53 52 dd 1H J 17 34 | 52 51 dd 1H J 17 34 | 48 47 q 1H J 68 | 37 36 dtd 1H J 18 31 114 | 35 34 ddd 1H J 33 49 114 | 29 28 ddt 1H J 32 48 112 | 22 22 dt 2H J 80 123 | 20 19 dt 2H J 81 123 | 17 16 m 2H | 15 14 d 2H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C#N)cc(C(F)(F)F)n1
ir: 23 53 32 14 6 3 3 12 7 4 4 3 3 4 3 3 2 4 5 2 2 4 3 2 2 2 3 2 1 4 4 0 14 95 3 7 6 0 1 4 3 1 2 4 3 3 11 10 5 2 3 7 7 5 15 5 3 2 2 4 2 0 18 79 9 4 8 21 100 33 5 7 17 9 17 5 3 3 11 8 3 2 3 3 2 3 4 17 42 7 3 4 2 3 4 6 90 71 58 8 20 25 3 3 2 2 3 2 1 3 5 3 5 9 20 38 58 23 10 8 14 4 4 3 6 9 28 12 25 8 3 3 2 3 2 3 3 3 2 62 17 4 4 2 2 3 3 2 2 3 13 4 2 3 5 9 6 5 57 24 3 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 4 3 3 3 2 4 4 3 3 5 3 3 3 4 16 40 15 35 38 19 8 6 3 3 2 3 3 3 2 2 2 4 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 86 86 d 1H J 22 | 81 81 d 1H J 23 | 44 43 q 2H J 64 | 14 13 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OC1CCC(COCc2ccccc2)OC1
ir: 4 3 10 2 6 4 8 5 1 4 2 6 5 6 1 3 2 1 1 1 2 3 1 2 1 1 1 3 4 10 5 3 3 2 2 5 5 7 12 71 32 11 5 1 3 5 4 4 3 3 2 4 1 1 1 1 2 2 3 3 4 2 3 6 3 7 8 4 8 1 5 11 7 1 12 7 5 4 7 4 2 1 4 6 10 21 73 28 16 17 5 2 4 2 3 1 4 3 4 1 1 1 1 2 4 2 2 2 2 2 1 1 3 2 2 3 2 1 2 1 2 3 3 4 5 3 4 2 2 2 1 1 1 4 5 5 6 2 1 0 0 1 10 16 2 2 0 0 0 0 2 4 3 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 2 2 3 1 1 1 1 1 2 1 3 2 3 3 4 5 2 5 2 3 2 5 3 16 13 11 16 13 25 7 3 5 8 11 21 100 96 14 5 4 4 1 1 1 1 2 2 1 2 1 2 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 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; 1HNMR: 74 73 m 5H | 46 45 m 2H | 39 38 m 2H | 38 37 m 1H | 38 37 dd 1H J 36 117 | 36 35 dd 1H J 43 113 | 35 35 dd 1H J 37 117 | 28 28 d 1H J 52 | 19 18 m 2H | 17 15 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(Cn2ccc3c(-c4ccco4)ncnc32)cc1
ir: 2 4 5 7 5 3 4 3 4 4 6 6 5 4 5 9 13 4 4 4 4 23 6 8 5 3 3 3 4 4 5 4 100 24 13 7 6 53 16 19 31 8 11 41 6 5 4 5 3 5 9 32 10 4 8 42 8 16 5 6 4 5 5 7 4 4 10 22 8 25 6 5 4 3 3 5 6 6 4 5 1 0 81 0 15 12 8 14 5 5 3 4 8 10 14 7 6 6 7 5 7 4 2 3 8 17 18 19 8 3 2 3 4 3 1 3 4 3 1 6 5 6 6 5 8 6 5 6 7 5 6 4 4 3 2 4 6 7 5 55 10 16 7 4 5 3 4 39 36 32 53 15 28 47 18 39 9 5 4 7 7 5 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 4 3 4 4 4 5 3 5 7 6 8 23 69 25 20 58 12 15 8 4 6 5 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 88 88 s 1H | 73 73 t 1H J 15 | 72 71 ddt 3H J 9 68 181 | 69 69 m 2H | 68 68 dd 1H J 18 57 | 67 66 d 1H J 68 | 65 65 dd 1H J 13 57 | 55 55 q 2H J 9 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CN(c2ccc(NC(=N)N)cc2)CC(C)O1
ir: 5 3 1 4 4 5 10 24 12 51 52 41 27 23 8 34 19 58 8 16 10 13 7 6 5 9 2 2 1 1 2 1 2 1 2 1 1 3 3 6 2 3 3 1 2 2 1 3 2 2 2 3 3 9 23 56 29 8 34 13 8 7 2 1 3 13 9 1 3 4 6 7 21 6 5 4 5 3 1 15 14 14 10 4 2 2 8 4 2 4 7 5 10 5 20 10 13 11 30 14 7 7 4 3 6 4 34 5 1 2 4 3 6 9 9 20 10 10 6 4 1 2 5 2 1 3 4 3 2 2 2 1 1 1 2 1 0 1 1 1 1 1 2 8 6 3 1 3 2 2 7 15 15 31 34 52 6 5 3 0 1 3 4 3 2 8 9 11 11 43 46 33 8 9 4 2 3 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 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 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 2 2 1 2 1 2 2 2 1 1 2 2 4 6 6 6 15 22 25 13 9 12 46 54 14 9 13 13 6 10 9 27 85 100 26 18 10 5 10 7 9 18 22 20 27 34 7 8 4 2 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 73 73 m 2H | 72 71 s 1H | 70 70 s 1H | 69 68 m 2H | 56 56 s 2H | 39 38 ddt 2H J 27 54 84 | 30 30 dd 2H J 30 120 | 28 27 dd 2H J 29 121 | 12 12 d 6H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CCCCN(C)C(=O)OC(C)(C)C
ir: 8 9 33 12 10 6 7 12 7 8 90 14 12 5 0 2 4 6 8 7 3 1 2 4 6 8 3 2 1 1 1 1 0 0 1 1 2 2 0 7 8 6 2 2 1 3 1 3 2 1 1 0 1 1 1 1 1 1 1 1 1 4 3 3 9 6 2 1 2 1 1 2 1 1 1 0 1 1 1 0 2 5 2 1 1 1 0 1 3 1 0 1 1 2 2 2 5 4 5 6 5 4 4 2 2 1 1 1 1 1 1 2 8 7 18 4 5 7 16 17 5 18 6 11 15 19 7 16 9 36 10 16 5 3 11 8 1 1 1 4 4 2 9 11 22 17 7 6 3 5 88 100 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 0 0 1 1 0 1 2 2 3 2 2 3 4 3 6 3 1 2 3 4 22 33 4 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 37 36 s 3H | 32 32 t 2H J 61 | 29 29 s 3H | 24 23 t 2H J 85 | 17 17 ttd 2H J 7 61 70 | 16 15 ttd 2H J 9 72 80 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(C(=O)O)c1c(F)ccc(C=O)c1F
ir: 3 3 4 3 4 3 4 4 4 6 6 8 8 11 8 8 16 11 22 22 50 72 77 24 15 9 10 6 3 4 3 4 3 5 4 4 4 3 3 5 3 5 4 5 5 7 10 6 4 4 7 9 100 45 9 0 4 6 4 4 6 12 4 3 8 4 3 2 4 4 4 4 10 11 11 6 18 14 65 36 17 22 8 9 8 13 12 6 10 4 3 3 4 4 4 6 6 8 8 8 7 5 2 4 10 9 2 5 5 3 2 3 5 6 3 4 4 4 3 4 6 5 4 7 6 7 4 4 4 6 4 4 5 3 3 4 4 4 4 25 18 12 15 42 44 18 7 9 8 5 3 3 3 6 57 10 5 4 3 4 4 14 3 4 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 3 3 4 9 3 3 4 3 3 4 4 4 3 3 5 6 12 13 6 9 54 13 6 4 6 5 4 3 4 32 26 4 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 78 77 m 1H | 73 72 dd 1H J 87 101 | 54 54 t 1H J 46 | 39 38 dq 1H J 62 113 | 37 36 dq 1H J 62 115 | 13 12 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)CCC=C(C)CCC(C)=C(C)C
ir: 10 11 11 13 5 6 9 11 10 27 56 32 13 14 12 7 6 10 8 5 6 13 15 22 10 5 4 5 5 6 3 3 1 4 4 2 13 7 7 2 4 9 5 17 3 19 7 4 8 8 6 2 5 6 6 8 14 14 8 4 4 12 17 6 11 10 14 14 24 20 38 59 13 13 8 11 9 8 3 1 4 4 2 4 5 4 4 3 6 14 18 5 7 6 10 5 11 14 4 5 4 3 5 6 5 5 7 6 5 6 4 18 5 31 25 9 10 16 32 44 26 16 20 32 26 29 38 28 15 34 69 22 17 21 14 47 17 11 15 19 13 57 92 27 10 5 2 4 4 1 1 4 3 1 1 4 4 16 11 8 3 1 2 3 2 1 2 3 2 0 2 4 2 0 2 3 2 1 2 3 2 1 2 3 1 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 0 2 3 2 1 1 3 2 1 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 2 1 1 3 3 2 1 4 3 2 7 11 10 11 4 18 32 20 15 25 10 13 13 25 35 9 100 84 63 23 8 10 10 9 5 5 4 3 4 4 3 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 3 2 1 1 3 2 1 2 3 2 0 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2; 1HNMR: 52 51 tdq 1H J 12 23 60 | 25 24 m 2H | 23 22 dddt 2H J 9 62 84 93 | 22 21 m 4H | 22 21 s 3H | 17 16 m 9H | 15 15 q 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(COC(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
ir: 7 6 3 1 1 2 1 4 2 3 4 4 6 3 3 5 5 4 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 6 1 1 1 2 2 1 1 1 1 1 2 1 1 2 4 4 23 16 50 16 7 17 5 7 3 3 3 2 4 2 2 2 1 2 34 5 2 1 1 2 1 2 2 8 17 25 52 32 6 0 2 3 6 2 10 5 3 74 17 2 2 2 5 9 6 4 18 5 2 1 1 5 1 0 2 14 1 2 1 0 12 1 2 1 3 1 2 2 2 2 2 1 2 2 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 6 19 16 4 4 4 4 3 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 3 4 6 13 36 18 6 3 1 2 3 5 100 13 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 87 87 s 1H | 74 73 m 2H | 72 72 dt 2H J 9 83 | 69 69 m 2H | 68 68 m 2H | 46 46 d 2H J 9 | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC1(C)OC2COC(=C)OCC2O1
ir: 6 3 1 0 1 1 2 1 11 8 7 6 2 4 12 7 3 4 2 1 2 2 2 11 3 7 3 1 6 8 18 5 3 1 1 1 1 0 1 6 5 1 0 1 0 0 0 1 1 1 1 1 1 1 1 1 0 0 1 1 4 2 4 4 2 6 2 10 8 7 63 100 47 26 12 5 3 2 7 2 4 4 6 16 11 13 4 2 1 2 1 1 3 10 15 15 22 5 5 4 4 4 3 6 9 8 10 2 3 2 1 3 1 1 1 1 1 3 1 5 5 3 13 5 15 13 28 4 6 1 1 1 2 2 0 12 22 24 13 19 7 5 3 2 1 1 1 0 0 1 1 0 0 1 2 5 6 3 2 1 1 1 0 1 1 2 1 0 1 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 2 2 4 2 1 1 3 3 1 7 14 16 35 16 8 22 33 15 5 10 4 5 30 13 11 19 3 2 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 59 58 ddq 1H J 10 119 174 | 54 53 dd 1H J 26 174 | 53 52 dd 1H J 27 120 | 44 44 m 2H | 44 44 s 3H | 42 41 dt 2H J 7 116 | 31 30 s 2H | 14 14 d 3H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCc1ccc(OC)c(C(=O)NNC(=O)C2(C#N)CC2)c1
ir: 2 2 2 1 1 2 8 23 6 2 11 3 4 2 1 1 2 2 2 4 3 4 8 11 6 3 4 15 3 2 6 6 4 5 9 13 5 20 7 5 9 7 12 28 11 6 19 20 43 82 9 4 3 5 18 7 6 11 2 2 1 3 4 14 4 3 2 2 2 2 2 2 2 2 2 1 3 5 2 2 1 1 1 5 5 2 3 5 5 1 1 1 2 2 2 2 2 4 2 1 2 13 2 1 2 2 4 2 2 3 2 5 4 4 4 3 4 5 6 7 4 3 4 6 2 2 4 3 2 1 2 2 1 3 2 2 2 7 4 10 33 100 26 6 12 6 23 10 15 2 4 5 43 9 9 4 8 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 3 3 2 1 2 2 2 9 6 5 15 0 5 42 12 6 7 7 3 2 2 1 1 2 1 1 1 2 1 1 2 2 1 8 9 12 24 39 20 26 11 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 77 77 dt 1H J 9 20 | 72 71 ddd 1H J 9 20 84 | 70 69 d 1H J 85 | 38 38 s 2H | 27 26 tt 2H J 10 82 | 18 17 m 2H | 16 15 m 4H | 13 12 m 18H | 9 9 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N[C@H]1C[C@H](c2ccncc2N)OC2(CC2)[C@@]1(C)O
ir: 3 4 2 5 5 4 20 5 8 15 3 3 8 4 14 11 3 2 5 26 9 5 5 6 10 4 4 3 7 5 11 34 10 4 3 4 3 5 5 1 2 1 6 7 2 0 2 3 2 1 2 1 2 2 2 3 3 2 1 1 1 1 2 4 1 1 1 1 1 1 4 5 6 1 4 3 3 0 8 50 20 8 2 1 2 2 2 4 4 12 4 3 2 1 3 5 4 2 4 7 1 2 3 3 3 2 0 1 1 4 2 3 1 1 1 3 1 5 3 3 4 3 3 3 13 3 2 3 3 5 5 1 1 1 1 1 1 1 1 1 1 1 1 1 6 29 13 4 6 41 7 2 25 15 6 1 15 100 4 2 1 1 2 2 1 0 1 1 1 1 1 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 1 1 2 3 7 2 10 8 3 2 8 3 1 2 3 4 0 3 76 13 2 1 0 1 1 1 1 2 4 8 1 1 2 2 11 81 16 3 4 2 13 65 14 3 1 1 1 1 1 1 0 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 83 83 dd 1H J 13 49 | 81 81 d 1H J 13 | 74 73 dd 1H J 7 49 | 53 53 d 1H J 90 | 49 49 dddd 1H J 7 39 48 77 | 47 47 s 2H | 40 39 m 1H | 34 34 s 1H | 25 24 ddd 1H J 53 77 145 | 23 22 ddd 1H J 49 81 145 | 17 16 m 2H | 15 14 m 2H | 14 14 s 9H | 12 12 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)O)ccc1-c1ccccc1O
ir: 6 29 36 13 14 7 3 1 2 2 2 3 4 1 3 6 15 11 9 8 12 100 88 20 2 5 5 2 0 3 2 2 3 3 4 3 2 8 8 1 2 33 38 11 2 3 1 0 1 1 1 1 2 4 24 29 7 2 2 1 1 1 1 2 3 3 3 2 2 3 8 7 5 1 7 9 29 65 35 4 33 26 6 1 5 73 60 21 4 2 2 1 2 4 5 3 3 2 1 2 8 7 2 1 2 1 0 1 1 1 0 1 3 2 1 6 20 8 4 2 1 1 0 5 25 3 1 1 1 1 1 1 2 2 1 3 17 15 16 16 6 4 3 7 6 45 43 12 6 7 1 1 1 1 3 2 1 1 1 3 1 1 1 3 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 2 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 1 1 1 1 2 9 16 19 21 37 34 12 4 2 2 6 8 29 51 89 11 1 1 1 1 1 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 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 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; 1HNMR: 79 79 m 2H | 75 74 m 2H | 72 72 m 2H | 69 68 m 1H | 64 64 s 1H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCN1C(=O)[C@@H](NC(=O)C(C)(O)C(=O)O)c2ccccc2-c2ccccc21
ir: 12 11 10 7 4 5 8 12 9 8 9 6 8 7 3 13 15 9 9 17 67 39 20 32 3 3 5 4 8 6 6 1 4 5 5 8 9 3 14 29 58 33 45 54 5 6 5 3 3 5 2 1 2 2 2 1 2 5 1 3 3 2 3 9 3 2 2 4 2 6 3 1 2 7 25 14 22 17 20 10 39 14 8 5 6 6 7 2 4 12 7 8 52 11 4 8 2 3 2 2 2 2 1 2 2 1 1 1 3 4 16 30 43 24 8 8 4 2 4 7 5 3 3 2 9 18 4 15 12 4 3 5 4 4 6 9 15 9 1 2 3 15 23 7 7 6 53 72 12 22 8 3 2 1 2 2 2 1 2 4 1 2 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 2 1 1 1 2 2 2 3 2 3 1 2 5 10 3 16 100 44 11 3 0 2 3 1 11 15 30 2 0 1 2 3 1 2 3 2 1 4 4 7 44 35 7 2 1 2 2 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 ddd 2H J 13 79 91 | 76 76 d 1H J 95 | 75 74 dtd 3H J 17 80 221 | 74 73 m 3H | 64 64 m 1H | 52 51 s 1H | 41 40 h 2H J 67 | 36 36 t 2H J 62 | 34 33 s 2H | 15 15 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC[C@@H]1CN(c2cc(F)c3c(c2)CC(=O)N3CCF)C(=O)O1
ir: 0 3 4 3 6 11 6 3 0 5 3 3 2 4 3 3 2 2 4 2 1 3 5 5 4 5 4 3 2 3 3 2 2 8 2 2 2 3 5 1 2 3 5 4 2 3 3 10 5 3 10 3 2 4 2 4 7 9 2 0 2 3 2 7 10 4 4 23 7 9 20 31 8 10 3 10 6 4 2 2 2 16 2 22 3 3 1 2 3 2 1 3 18 5 2 2 3 3 1 2 3 3 1 2 5 10 4 8 5 3 3 14 4 2 1 2 3 2 5 9 22 12 11 11 6 4 12 6 4 3 5 10 11 12 8 7 4 4 2 3 7 2 2 2 2 2 2 3 35 7 100 23 4 1 2 3 9 1 1 3 3 2 10 3 2 0 1 3 2 0 2 3 2 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 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 2 4 3 2 4 3 2 1 2 4 3 1 16 5 7 10 15 4 2 1 2 3 2 1 2 2 2 2 8 7 19 13 7 3 2 4 3 33 4 2 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 1 2; 1HNMR: 74 73 m 2H | 48 48 t 1H J 49 | 47 47 t 1H J 49 | 46 46 qd 1H J 13 36 | 41 40 m 1H | 40 40 t 1H J 49 | 40 39 t 1H J 49 | 38 38 dd 1H J 32 125 | 36 35 d 2H J 9 | 30 29 dtd 1H J 38 69 123 | 27 26 m 1H | 23 22 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc2c(c1)Cc1cc(Br)ccc1-2
ir: 12 14 6 4 3 3 2 2 1 1 2 1 1 3 2 4 1 2 2 1 1 4 4 2 1 2 2 1 1 2 2 1 1 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 4 12 5 13 2 2 2 1 1 6 2 7 1 1 1 2 1 1 6 1 7 1 1 1 1 1 1 10 2 10 6 19 2 7 6 1 1 1 4 3 1 2 2 2 1 1 1 1 2 2 3 1 1 1 2 2 11 4 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 10 10 1 1 1 1 1 1 1 2 4 4 4 7 6 4 6 4 86 13 2 33 3 7 5 24 5 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 1 1 1 2 2 1 2 3 3 7 4 16 32 21 30 10 3 3 1 2 1 1 1 1 1 0 1 2 1 0 5 88 14 5 1 1 1 1 1 1 0 3 96 25 100 12 5 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; 1HNMR: 78 77 d 1H J 91 | 77 77 d 1H J 82 | 76 76 m 2H | 68 68 dt 1H J 9 20 | 67 67 dd 1H J 22 84 | 40 40 t 2H J 8 | 35 35 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1[C@H]2C[C@@H](C[C@H]1Nc1c(N)nn(CC(=O)NCc3ccncc3)c(=O)c1Br)C2(C)C
ir: 3 14 0 4 2 5 5 12 13 11 31 16 6 7 3 8 8 11 18 10 28 42 52 30 24 8 11 12 23 22 13 5 8 46 15 23 11 23 10 15 20 44 16 5 26 13 5 5 26 20 37 31 8 6 3 9 6 10 7 13 5 4 5 6 3 4 4 10 4 10 10 3 16 13 14 6 4 3 4 6 7 3 2 4 7 6 4 5 17 8 4 4 4 3 1 2 5 8 8 4 4 4 3 4 4 5 7 3 7 6 15 29 7 4 6 8 19 54 50 15 23 16 27 16 7 6 12 8 9 3 7 5 13 6 20 56 8 6 6 11 27 89 19 18 22 16 75 86 67 29 82 59 22 5 4 5 7 2 4 41 21 6 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 1 2 2 1 1 2 1 1 1 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 2 1 2 2 2 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 1 2 1 1 2 1 2 2 2 2 2 2 3 3 2 3 3 4 4 5 3 7 3 6 10 6 7 10 19 10 31 9 9 7 4 4 3 4 1 3 3 2 2 3 6 6 4 4 15 98 22 12 7 19 73 100 78 30 13 12 35 81 5 3 3 1 2 2 2 2 2 3 2 2 2 2 1 1 1 2 2 1 2 2 1 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 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 1; 1HNMR: 85 85 m 2H | 81 80 s 2H | 76 75 t 1H J 55 | 72 72 dt 2H J 9 44 | 47 47 d 1H J 70 | 45 45 d 4H J 50 | 36 35 dtd 1H J 38 67 77 | 19 19 ddd 1H J 38 53 136 | 19 18 m 2H | 17 16 m 2H | 15 15 m 2H | 10 10 q 3H J 9 | 10 9 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(CO[C@H]2CC[C@H]3[C@H]4Cc5ccc(OC(C)=O)c6c5[C@@]3(CCN4C)[C@H]2O6)cc1
ir: 15 15 8 23 6 5 5 3 7 19 11 10 8 6 15 12 5 6 23 4 3 3 4 7 8 14 26 17 5 1 1 2 2 4 5 2 2 5 4 2 4 5 5 4 3 6 2 4 5 4 3 5 12 38 11 11 9 100 39 18 3 1 11 2 5 3 6 5 3 11 12 3 3 4 5 11 7 5 21 33 30 11 3 2 2 8 4 6 6 4 8 15 3 7 8 6 7 6 32 47 11 6 8 3 2 6 5 3 2 3 3 5 0 5 10 50 11 19 7 15 20 11 19 19 37 8 8 10 8 3 4 4 3 3 3 2 2 4 2 4 6 4 49 95 58 50 9 3 6 18 8 14 2 12 4 1 2 3 1 0 7 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 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 5 2 2 5 3 7 4 2 5 4 7 5 10 29 48 18 54 68 45 11 8 6 3 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 79 m 2H | 74 73 dt 2H J 9 83 | 68 67 d 1H J 82 | 67 66 dt 1H J 9 82 | 47 46 m 2H | 45 45 dt 1H J 9 119 | 41 40 ddd 1H J 29 37 65 | 39 39 s 2H | 32 32 dddd 1H J 15 29 37 73 | 31 30 ddd 1H J 9 73 135 | 28 27 m 2H | 27 26 ddd 1H J 38 63 121 | 24 23 d 3H J 15 | 23 22 m 1H | 23 23 s 3H | 21 20 ddd 1H J 37 64 124 | 20 19 ddt 1H J 63 90 134 | 19 18 m 1H | 18 18 m 1H | 18 17 dddd 1H J 37 64 90 134 | 17 16 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1cccc(Oc2cccc(CNC(=O)OC(C)(C)C)c2)c1
ir: 12 3 6 3 6 4 2 2 1 7 4 4 1 2 5 2 2 1 3 2 1 3 8 3 8 21 32 61 30 4 9 18 17 3 4 3 3 6 4 2 3 1 0 1 3 6 14 25 26 5 2 2 1 2 2 2 2 1 2 1 6 3 6 3 2 5 9 10 26 8 5 4 5 3 6 4 1 1 2 1 5 2 2 1 0 0 1 2 13 3 7 6 1 2 1 2 1 3 11 5 2 1 5 4 1 1 0 1 1 2 2 2 1 1 1 1 1 6 3 5 8 4 7 9 3 2 2 8 10 6 7 10 4 1 0 1 1 1 1 24 55 25 13 34 30 32 12 2 9 34 20 5 14 14 7 10 3 3 4 3 1 2 1 1 0 1 1 0 0 0 0 0 0 1 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 2 1 1 2 2 0 1 2 1 2 3 5 18 10 58 100 21 17 2 4 2 3 2 0 2 2 1 1 1 1 1 3 2 1 1 2 2 10 15 66 45 18 5 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 t 1H J 67 | 73 73 m 2H | 72 71 ddq 1H J 9 20 80 | 71 70 m 2H | 70 69 ddd 1H J 12 22 80 | 69 69 tt 1H J 9 22 | 59 58 t 1H J 56 | 44 44 dt 2H J 9 56 | 31 31 s 1H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(Cc2ccc(C(F)(F)F)cc2)nc2ccccc12
ir: 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 10 3 2 5 2 1 3 1 1 1 1 1 3 1 1 1 1 2 1 2 9 20 15 10 40 4 7 69 9 2 5 6 8 4 6 4 1 18 0 2 3 4 2 1 1 1 1 4 2 2 9 2 1 1 1 2 3 1 1 1 1 2 1 1 2 1 2 2 1 1 2 2 1 1 1 1 1 2 1 6 12 6 1 1 1 1 2 1 1 1 1 2 2 52 3 4 1 2 1 1 1 4 3 7 3 3 4 6 11 3 1 2 2 2 9 1 1 2 8 2 1 1 1 1 8 8 2 1 4 14 38 11 1 2 2 4 2 1 1 2 10 14 100 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 3 8 3 2 11 15 29 3 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 3 4 7 6 35 5 4 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 81 80 dd 1H J 14 75 | 78 77 ddd 1H J 15 70 86 | 76 75 m 3H | 75 74 td 1H J 13 73 | 73 72 dt 2H J 9 71 | 40 39 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(CBr)(COS(C)(=O)=O)CC1C=CC=C1
ir: 10 10 13 15 14 31 8 8 7 3 3 3 5 5 15 11 12 17 6 5 4 2 3 2 4 5 9 29 54 12 6 2 5 14 10 10 8 3 3 3 2 2 3 2 3 2 3 4 4 4 10 5 2 2 2 3 3 0 6 2 2 2 3 3 5 4 6 4 9 20 24 21 23 60 7 6 9 5 2 3 2 3 2 3 3 7 6 24 33 8 7 8 5 4 4 2 3 4 17 11 52 28 8 8 5 4 2 6 4 3 4 7 11 8 8 4 4 3 7 8 7 11 22 8 5 4 3 2 3 3 3 5 6 9 9 5 5 4 4 2 4 7 4 18 18 18 7 5 4 3 6 15 17 7 3 2 2 2 2 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 2 1 2 1 1 2 2 1 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 2 3 2 2 3 3 5 2 4 5 4 4 5 8 7 3 5 11 6 42 100 41 45 63 43 9 7 6 2 1 3 4 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 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 63 62 m 5H | 43 42 d 1H J 125 | 40 40 d 1H J 125 | 34 34 d 1H J 110 | 32 31 d 1H J 108 | 31 31 s 3H | 29 28 dddd 1H J 24 45 86 95 | 23 22 m 1H | 20 20 m 1H | 10 10 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)OCCC(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
ir: 15 4 3 5 2 5 15 11 14 5 2 8 3 8 4 9 6 18 8 20 13 11 10 7 5 7 3 9 10 5 1 2 1 1 1 1 1 4 6 5 1 6 5 4 2 2 3 2 2 1 2 1 2 1 2 3 3 5 3 7 20 12 10 5 11 12 27 20 12 18 5 15 7 9 10 14 8 12 5 2 2 3 1 2 1 1 0 0 1 2 0 1 2 5 5 8 11 17 11 16 4 31 28 21 6 8 17 8 10 14 2 26 6 17 8 19 10 32 47 35 19 25 25 64 52 38 17 17 7 9 7 7 8 6 9 7 11 8 6 3 3 2 6 32 77 12 7 6 3 1 1 1 1 1 1 1 2 11 8 5 4 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 0 1 1 1 2 2 3 4 3 5 6 5 12 20 19 9 14 19 5 22 19 35 40 72 71 100 35 19 16 8 7 7 4 3 1 3 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 52 50 m 3H | 42 41 dt 1H J 64 112 | 41 40 dt 1H J 64 112 | 22 19 m 10H | 21 20 s 3H | 17 16 m 4H | 16 16 q 3H J 10 | 16 16 d 1H J 11 | 16 15 m 6H | 16 14 m 2H | 13 12 dtdd 1H J 9 68 80 126 | 10 9 d 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(C(=O)O)cc2c1Oc1c(Cl)cc(N3CCN(C)CC3)cc1CS2(=O)=O
ir: 4 29 10 6 8 3 3 2 3 10 4 5 8 7 1 9 4 5 8 10 13 99 41 6 2 3 3 4 10 8 4 7 5 3 3 7 3 2 7 9 4 2 2 2 2 6 1 2 7 2 2 10 2 2 3 3 4 3 6 4 3 2 2 4 5 19 24 38 16 9 5 10 6 2 3 6 3 6 30 6 28 12 17 100 18 23 5 4 4 4 0 0 5 3 1 15 6 12 32 15 8 4 13 7 11 2 4 5 3 2 5 3 4 2 0 2 14 16 4 2 3 1 0 1 3 3 2 12 5 3 10 4 2 1 2 3 5 4 6 9 5 1 2 3 11 72 11 19 2 1 1 2 2 0 1 13 2 4 1 2 1 2 14 4 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 1 2 1 1 1 1 1 0 1 2 1 0 1 2 2 0 1 2 2 3 10 4 2 1 1 4 3 1 10 13 14 19 35 4 2 2 2 2 1 0 23 41 9 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 0 1 1; 1HNMR: 83 83 d 1H J 22 | 80 79 m 1H | 69 69 dd 1H J 11 20 | 68 68 d 1H J 22 | 48 47 d 2H J 9 | 34 33 m 4H | 32 32 m 2H | 29 28 m 5H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
ir: 5 2 3 2 6 4 2 5 2 2 2 2 3 2 1 2 3 2 2 3 3 6 5 14 2 1 1 3 2 1 1 2 2 3 2 2 9 16 7 4 3 0 14 15 7 1 8 15 7 4 7 1 3 4 49 29 5 12 8 2 2 2 17 3 3 1 4 4 6 3 3 4 5 21 3 2 2 3 7 16 17 6 11 22 6 4 14 7 6 5 3 3 7 6 13 15 18 11 20 12 13 15 3 3 4 7 15 5 3 2 3 2 6 14 23 19 7 11 8 9 5 6 10 15 5 9 6 2 3 4 36 3 5 6 5 1 1 2 2 1 2 2 11 10 3 3 2 1 2 3 13 10 5 25 11 1 1 2 1 1 2 3 4 0 1 2 2 1 1 2 1 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 2 4 5 7 4 2 2 3 4 4 4 10 4 19 13 10 47 13 40 40 32 53 32 8 5 3 4 100 8 6 3 2 2 3 2 1 2 2 2 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 90 89 d 1H J 16 | 87 86 dd 1H J 17 140 | 82 81 dt 1H J 9 16 | 78 78 d 1H J 16 | 76 75 dt 1H J 45 76 | 70 68 m 2H | 63 62 s 1H | 48 48 dd 1H J 9 148 | 44 43 m 1H | 42 41 qd 1H J 45 65 | 12 11 d 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccncc1NCc1ccc(Cl)cc1Cl
ir: 3 2 3 1 2 2 1 2 3 2 1 2 1 1 4 8 18 6 3 4 5 17 20 6 11 9 12 32 37 100 86 22 8 8 8 4 4 3 6 5 4 5 5 3 2 2 2 2 2 3 3 7 7 6 15 5 3 3 2 1 1 1 1 0 1 4 13 9 2 1 3 4 3 5 8 41 39 5 1 14 9 5 3 3 1 1 3 3 2 2 2 6 13 5 1 1 1 2 3 3 7 2 2 1 1 1 1 2 1 2 11 16 11 9 5 2 2 3 3 6 5 6 2 2 1 1 1 1 1 2 2 2 1 1 1 4 39 37 4 3 3 18 21 9 1 1 2 3 8 5 3 2 9 30 7 8 6 2 2 8 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 2 8 42 42 16 4 4 0 2 3 2 0 95 67 14 4 2 1 2 2 1 1 2 2 2 4 36 30 50 7 2 2 2 6 5 3 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 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 1 1 1 0; 1HNMR: 84 84 d 1H J 13 | 81 81 dd 1H J 14 45 | 77 77 m 2H | 74 73 m 2H | 72 72 dd 1H J 21 81 | 48 47 dd 2H J 8 59
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C(Nc1cncc(Br)c1)c1cccc(Cl)c1
ir: 2 3 1 4 4 7 2 6 10 8 3 7 8 6 3 9 28 8 21 13 24 19 11 18 24 16 20 15 8 13 22 39 18 68 34 21 7 5 5 10 3 2 3 2 2 4 21 29 3 2 2 3 2 1 4 3 2 1 2 3 2 1 2 2 4 4 34 17 6 4 2 3 1 0 5 3 3 8 6 10 6 1 3 2 2 1 11 4 1 1 3 2 0 1 2 2 2 2 3 3 0 2 3 5 0 8 15 3 0 1 2 2 7 20 13 6 1 5 15 8 3 3 3 3 2 3 8 3 1 2 2 1 0 1 2 1 1 4 4 13 23 37 42 6 9 6 3 2 1 2 12 15 4 3 14 9 13 36 100 5 5 17 5 2 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 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 1 1 2 1 1 1 2 1 1 2 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 2 0 2 2 2 1 2 2 2 1 6 30 20 7 5 5 2 2 1 2 2 2 2 2 3 7 4 3 48 74 8 5 3 8 19 24 59 48 11 4 9 42 63 6 1 2 3 2 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0; 1HNMR: 84 84 t 1H J 17 | 82 81 t 1H J 16 | 75 75 m 2H | 75 74 ddt 1H J 9 21 82 | 74 74 t 1H J 80 | 73 73 ddd 1H J 13 21 77 | 69 69 d 1H J 86 | 65 65 s 2H | 53 53 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CCCn1nnnc1S
ir: 2 2 1 3 6 3 2 4 3 5 11 16 5 4 6 7 10 11 6 11 3 2 5 4 7 5 10 10 14 6 5 11 12 13 8 3 2 5 4 2 3 3 4 4 17 11 11 4 3 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 1 2 2 3 3 2 3 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 2 1 2 4 5 2 3 3 4 3 2 2 3 2 3 4 3 2 2 2 2 1 1 2 1 3 5 8 4 2 1 1 1 2 1 2 2 9 12 29 14 10 2 2 1 1 1 1 4 10 28 34 44 100 17 20 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 0 21 9 0 2 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 4 2 3 3 2 1 1 2 4 4 3 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 12 21 9 4 3 2 1 1 1 1 1 2 2 10 20 31 9 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; 1HNMR: 67 67 s 1H | 63 63 s 2H | 44 43 t 2H J 75 | 25 24 m 2H | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CC[C@@H](n2nc(-c3ccc(N)cc3)c3c(N)ncnc32)C1
ir: 11 13 16 13 14 11 7 11 11 9 13 9 8 10 8 10 9 8 7 8 8 10 10 8 9 9 9 9 8 8 7 8 8 7 8 8 8 7 20 54 18 8 10 8 9 8 8 8 8 7 7 10 8 5 18 17 13 9 8 9 8 8 7 8 7 7 7 7 8 8 9 8 9 8 7 7 8 8 8 9 7 7 7 7 8 8 7 7 10 8 8 7 7 7 7 7 8 12 7 21 6 7 9 9 7 8 12 8 9 8 9 8 8 8 9 12 6 9 10 10 8 8 8 7 7 8 9 8 7 11 9 7 8 15 7 7 6 13 10 7 9 7 7 7 7 7 8 10 8 8 11 26 22 23 38 12 11 20 22 8 7 8 7 0 27 4 7 8 7 6 7 7 7 6 7 7 7 6 7 7 7 7 7 7 7 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 7 8 7 8 7 7 7 9 8 12 11 13 14 10 7 8 8 7 7 7 7 7 7 7 7 7 7 7 7 9 23 17 7 7 7 7 7 7 7 8 8 9 39 100 11 8 8 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7; 1HNMR: 84 83 s 1H | 77 77 m 2H | 70 69 s 2H | 68 68 m 2H | 48 47 ddtd 1H J 7 17 25 34 | 45 44 s 2H | 42 42 m 1H | 40 39 dd 1H J 9 121 | 38 37 ddd 1H J 48 66 116 | 36 35 dddd 1H J 18 47 65 114 | 23 22 m 1H | 20 19 dddd 1H J 16 47 65 131 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCc2nc(-c3ccccc3)ccc21
ir: 1 2 3 5 3 2 2 2 3 2 1 1 2 2 4 2 2 3 3 6 7 1 1 2 2 1 1 2 4 30 9 26 0 3 6 6 17 7 46 100 100 29 6 11 2 4 3 17 6 15 4 2 5 11 15 9 18 5 3 3 1 0 2 3 1 0 2 13 2 3 14 24 3 1 2 2 2 2 3 4 2 1 1 1 1 1 4 3 8 4 2 2 3 1 3 2 1 1 1 2 1 1 6 1 1 1 2 1 1 1 3 6 4 7 2 2 2 4 3 6 9 19 14 11 7 3 2 2 3 2 4 4 2 20 24 7 9 6 2 6 14 70 30 11 21 9 4 6 5 4 12 21 17 35 13 1 5 17 10 2 1 9 11 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 6 5 5 4 4 3 2 5 5 21 5 22 37 41 43 22 17 3 2 2 3 2 1 1 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 79 78 m 4H | 75 74 m 2H | 74 73 m 1H | 30 30 m 2H | 29 28 m 2H | 21 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1(c2cccc(OC)c2)CCN(c2ccccc2OC)CC1
ir: 13 8 18 19 3 6 4 6 6 2 4 6 3 3 1 2 2 2 3 3 3 1 2 1 1 1 1 1 1 1 2 23 4 2 1 1 1 5 2 1 1 4 20 26 10 11 8 15 10 2 1 0 1 1 1 0 2 1 3 3 2 1 4 4 2 5 8 4 6 6 11 9 6 2 3 9 6 2 2 0 8 3 14 7 4 1 4 11 1 1 2 3 2 2 5 3 3 11 12 5 6 7 2 1 1 1 1 3 1 2 2 4 2 2 2 2 9 9 28 4 13 2 4 1 5 2 2 4 3 5 13 1 6 3 6 1 1 12 13 3 5 23 21 9 39 100 4 0 12 10 1 1 3 12 2 4 6 4 4 2 2 3 4 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 3 3 1 2 1 2 4 3 2 9 20 12 10 43 60 14 4 2 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 1H | 71 70 ddd 1H J 13 21 77 | 70 68 m 7H | 39 38 s 2H | 38 38 s 2H | 37 37 s 2H | 37 36 ddd 2H J 38 65 126 | 34 33 ddd 2H J 37 65 126 | 26 25 ddd 2H J 37 64 132 | 24 23 ddd 2H J 38 65 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC1C(=O)Nc2cccc(-c3ccccc3)c21
ir: 0 0 1 1 4 15 4 1 1 1 9 3 3 3 1 1 2 51 3 3 14 8 2 30 8 6 19 10 4 7 4 6 6 10 3 1 2 2 4 1 83 19 1 5 2 3 25 51 8 2 1 3 7 3 2 1 1 3 3 3 2 0 1 2 0 1 2 3 9 4 1 0 1 1 1 1 1 2 7 2 2 4 2 1 1 1 1 4 2 0 0 0 1 1 0 1 6 2 1 1 0 0 1 1 1 6 4 3 0 1 2 1 1 3 3 6 11 18 2 4 2 1 1 1 2 4 24 1 0 1 1 1 0 2 19 3 2 2 4 50 2 2 1 14 2 2 2 12 2 2 8 6 11 14 3 6 1 2 5 23 5 2 1 2 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 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 0 0 0 0 0 1 1 1 1 1 1 9 3 1 3 15 6 9 100 17 9 7 3 2 2 1 1 2 1 0 0 0 0 1 1 1 0 1 1 0 8 9 18 21 5 10 1 1 1 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 91 s 1H | 77 76 dd 1H J 15 81 | 75 75 m 2H | 75 74 dd 1H J 12 83 | 74 73 m 4H | 50 50 dd 1H J 11 19 | 22 22 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CCc1ccc(Cl)cc1Oc1cccc(C(F)(F)F)c1
ir: 1 1 1 4 2 3 2 4 2 1 1 1 1 1 1 2 5 2 3 2 1 1 1 1 1 0 1 1 0 1 1 12 4 2 1 0 1 1 1 1 0 0 0 1 1 3 2 6 24 4 3 4 26 50 4 1 3 1 3 1 3 1 1 1 1 1 30 67 30 7 0 1 1 2 1 0 1 1 1 5 2 2 2 1 1 2 2 1 0 1 1 4 15 17 6 4 1 2 7 36 16 1 1 1 0 0 2 7 5 2 1 1 1 16 11 8 31 1 2 1 5 5 1 1 1 1 3 6 11 1 2 1 1 0 0 0 1 1 1 2 34 9 15 5 1 1 0 1 15 5 3 1 2 15 2 10 1 0 1 1 5 5 4 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 1 3 2 1 2 8 7 37 100 32 5 1 3 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dd 1H J 74 106 | 74 74 ddd 1H J 13 22 106 | 74 73 t 1H J 21 | 73 73 dt 1H J 9 73 | 71 71 dd 1H J 21 72 | 70 70 ddd 1H J 13 22 73 | 70 69 d 1H J 22 | 39 39 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C(=C\c1ccc(C(=O)O)cc1)C(=O)[C@@H]1COCN1C(=O)OC(C)(C)C
ir: 20 10 12 7 6 8 10 5 5 7 12 11 3 6 12 11 2 10 12 11 10 12 85 15 7 4 8 8 3 2 2 4 3 4 3 3 5 7 8 3 6 10 4 3 5 14 9 2 4 4 3 13 11 4 3 9 17 3 11 3 2 2 3 2 2 2 4 3 4 5 6 3 7 6 11 25 8 10 19 50 10 4 3 3 1 1 5 5 12 6 2 3 3 4 5 3 3 8 3 2 2 7 7 3 2 3 4 11 4 3 6 5 6 7 19 32 6 9 2 8 4 6 2 7 10 9 9 9 6 10 10 53 8 4 20 5 4 2 3 6 7 3 5 9 9 4 8 9 15 30 8 100 1 4 3 0 1 2 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 3 2 2 2 2 6 3 5 10 15 13 16 35 13 5 4 3 2 2 1 2 3 10 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 m 2H | 77 77 s 1H | 76 76 m 2H | 52 52 d 1H J 95 | 51 51 dd 1H J 19 95 | 48 48 ddd 1H J 18 29 47 | 43 43 q 2H J 71 | 40 40 dd 1H J 29 108 | 38 38 dd 1H J 48 106 | 15 14 s 8H | 13 12 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1cc(C(N)CN)cn1
ir: 1 1 1 1 0 1 3 1 1 1 2 1 1 1 2 4 4 5 2 2 2 2 2 2 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 4 3 8 10 2 10 7 8 9 10 2 24 6 10 23 19 8 4 5 2 2 8 20 47 12 14 6 11 12 9 2 2 3 4 3 2 2 2 1 1 1 1 2 2 2 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 6 3 2 4 4 3 5 8 11 12 8 8 11 16 16 17 17 17 18 9 3 1 1 1 1 1 1 1 1 1 1 2 5 5 1 1 1 0 1 0 1 0 1 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 1 0 2 2 1 1 1 2 1 2 2 1 1 2 3 4 3 3 4 3 3 3 2 3 4 5 8 9 12 9 9 6 9 5 18 55 76 100 2 4 3 2 0 0 2 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 74 d 1H J 8 | 72 72 s 1H | 40 39 ddt 1H J 32 57 63 | 38 38 s 3H | 34 33 dtd 1H J 31 60 130 | 31 30 dtd 1H J 31 60 130 | 25 24 d 2H J 57 | 20 19 t 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(CC(=O)O)c2cc(C#N)ccn2c1Sc1ccc(S(C)(=O)=O)cc1Cl
ir: 0 3 2 2 3 4 5 11 3 5 11 15 0 6 7 10 6 16 14 15 59 63 88 42 27 6 3 4 2 5 2 1 2 3 6 22 26 5 3 3 2 2 2 1 2 3 2 3 2 6 3 6 7 18 27 41 6 7 2 2 1 2 2 3 2 8 4 2 8 4 7 13 5 22 11 7 5 12 6 18 7 5 6 7 4 26 100 1 8 7 21 18 6 3 2 3 4 11 2 2 2 2 2 4 15 13 3 2 3 2 2 1 2 1 0 2 2 3 7 5 6 12 10 11 6 2 3 5 2 1 1 1 2 1 2 4 5 10 2 2 5 6 9 11 12 4 25 12 11 2 2 3 4 1 2 7 2 0 1 3 1 0 9 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 15 1 0 1 2 1 0 2 2 1 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 2 2 0 2 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 1 1 1 1 1 1 1 2 3 1 1 2 2 2 2 3 2 2 2 6 9 15 17 4 43 13 10 19 5 7 6 4 6 4 12 52 17 1 3 3 1 0 1 2 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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: 86 86 d 1H J 55 | 78 78 m 1H | 78 78 s 1H | 77 77 d 1H J 17 | 76 76 dt 1H J 11 82 | 72 72 dd 1H J 13 55 | 38 38 s 2H | 33 33 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[C@@H]1CC[C@@H](N(Cc2ccccn2)C(=O)Nc2ncc(SCC(=O)O)s2)CC1
ir: 15 20 9 11 5 4 3 3 3 6 9 4 5 9 8 7 3 6 4 2 4 4 3 7 4 3 2 6 4 5 3 2 4 9 9 17 20 11 6 5 4 6 8 5 6 10 12 2 9 12 8 11 21 12 14 4 3 4 3 2 11 29 59 10 6 4 4 2 2 2 3 3 3 7 9 8 20 12 6 12 3 5 4 8 12 24 15 29 20 28 3 3 23 12 7 20 55 17 4 4 3 5 4 31 23 18 11 8 11 5 13 10 13 28 9 15 12 52 24 8 9 12 6 18 19 12 15 8 8 7 6 8 6 3 1 4 5 9 14 31 15 14 29 30 16 15 9 22 6 3 2 3 2 2 2 3 2 1 1 2 1 2 7 3 3 0 1 2 1 0 4 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 2 2 1 2 2 2 2 6 4 5 5 4 19 28 17 11 10 3 7 30 21 60 36 35 30 32 11 37 16 3 3 2 7 100 54 9 2 1 2 3 1 1 2 2 1 1 3 6 6 40 58 11 3 2 2 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 95 95 s 1H | 85 85 dd 1H J 17 41 | 82 82 s 1H | 77 77 td 1H J 17 76 | 73 73 dq 1H J 11 78 | 72 72 ddd 1H J 14 41 73 | 47 46 m 1H | 45 45 m 1H | 39 38 m 3H | 19 18 ddtd 2H J 52 64 86 112 | 16 15 m 4H | 15 14 ddt 1H J 45 72 145 | 13 12 dddd 2H J 61 72 86 124 | 9 9 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)N(C)C[C@H](O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C
ir: 12 7 9 8 2 9 9 11 8 13 20 7 8 11 3 8 5 12 9 10 5 9 15 8 46 13 10 11 16 30 34 43 17 10 9 17 29 12 10 1 3 6 3 2 2 3 2 1 1 1 4 7 16 28 13 7 2 3 2 1 6 3 8 3 6 5 4 15 8 17 9 4 3 1 4 2 2 2 3 2 2 3 3 3 3 6 15 4 3 5 5 6 27 23 36 36 31 36 18 8 13 5 7 6 2 3 3 3 3 4 12 5 3 6 8 5 3 3 3 7 12 10 8 4 5 10 13 11 26 10 17 10 13 3 4 3 3 4 2 4 4 15 31 49 13 6 10 100 13 71 25 7 7 3 1 1 1 1 2 1 2 2 1 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 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 0 1 4 3 3 3 2 3 3 4 3 3 1 4 6 6 11 32 9 9 39 13 7 9 16 35 12 24 5 6 1 1 1 1 2 1 1 1 1 1 1 2 3 5 28 36 5 5 2 0 0 0 0 0 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 71 70 m 4H | 56 56 d 1H J 79 | 41 41 d 1H J 50 | 39 38 m 2H | 36 35 dd 1H J 47 126 | 33 32 dd 1H J 47 126 | 31 30 dddd 1H J 8 35 77 147 | 29 29 s 3H | 29 28 dddd 1H J 8 36 77 147 | 21 20 s 3H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCC(=O)C(C=Nc1ccccc1OC)C(=O)OCC
ir: 17 18 14 20 8 11 0 8 5 6 5 9 7 7 7 10 10 10 4 6 7 3 3 4 5 4 3 9 7 3 4 3 3 1 2 3 3 3 3 2 4 24 38 27 9 1 7 8 14 7 5 13 4 2 5 9 5 0 7 7 6 2 4 18 4 1 4 6 8 12 7 7 6 9 16 14 4 4 2 10 5 3 6 7 3 2 3 3 1 2 5 6 6 2 4 4 4 9 11 6 5 6 5 3 0 2 4 4 1 4 8 4 8 10 17 15 5 15 23 19 22 17 15 14 14 27 18 3 19 8 7 6 4 7 6 3 4 13 4 4 37 53 23 42 100 40 12 8 16 4 9 10 14 15 9 3 2 3 3 3 2 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 2 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 1 3 3 2 3 5 4 4 7 10 7 4 7 7 9 8 8 29 16 8 11 81 33 8 4 2 2 2 2 3 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0; 1HNMR: 76 76 d 1H J 108 | 73 73 dd 1H J 13 81 | 73 72 ddd 1H J 12 70 82 | 72 71 td 1H J 13 72 | 69 69 dd 1H J 12 73 | 42 41 m 5H | 39 39 s 2H | 29 29 m 2H | 27 26 m 2H | 13 12 td 6H J 33 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(c1)OCC(c1ccc(F)cc1)=C2c1ccc(O)cc1
ir: 2 3 3 3 2 6 2 2 1 2 1 2 1 4 3 3 0 2 2 1 4 3 5 2 1 1 2 3 2 1 1 1 1 3 4 3 2 1 1 1 1 3 6 1 2 1 1 1 5 1 1 0 5 16 29 17 17 17 2 3 5 8 2 5 2 2 8 16 14 6 8 5 3 9 4 3 2 2 5 14 42 6 14 3 1 3 5 18 26 3 4 2 1 1 2 1 1 1 0 1 1 2 1 1 1 12 8 1 1 1 1 1 1 1 1 1 3 4 4 4 15 2 2 3 5 7 4 2 1 0 0 1 1 0 0 1 1 0 0 1 1 1 4 8 12 3 1 5 7 62 11 3 16 4 5 1 1 2 1 0 1 2 3 4 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 1 2 1 1 2 2 4 7 17 18 100 32 7 6 3 2 5 6 50 10 3 2 1 1 1 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 m 4H | 72 72 d 1H J 88 | 71 70 m 2H | 69 69 s 1H | 68 68 m 2H | 67 66 dd 1H J 24 88 | 65 65 d 1H J 23 | 50 50 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.
COC(=O)[C@@H]1CC2(CC=CC2)C(=O)N1C(=O)OC(C)(C)C
ir: 7 10 12 9 12 9 4 5 6 4 9 14 14 5 5 4 3 4 4 3 4 4 4 5 11 23 7 7 4 9 9 14 9 4 5 7 7 6 7 15 23 14 6 3 3 4 3 3 3 4 3 6 4 5 4 3 4 4 4 2 5 6 7 4 5 4 3 3 4 4 4 5 5 4 4 3 4 4 3 3 5 7 6 2 4 4 5 6 5 4 3 3 4 4 8 11 19 10 7 7 3 5 2 4 4 4 2 5 6 8 8 6 5 7 5 8 9 7 7 7 10 6 5 6 8 14 15 10 29 22 10 14 12 6 33 28 21 23 8 4 5 4 4 29 28 0 3 23 12 1 5 26 12 100 51 1 3 5 3 2 2 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 5 5 4 5 4 5 3 5 6 5 9 8 5 26 36 44 11 5 4 8 6 3 6 5 3 2 3 4 3 2 3 3 3 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3; 1HNMR: 58 57 p 2H J 26 | 49 49 dd 1H J 51 70 | 37 36 s 3H | 27 26 m 2H | 26 25 dd 1H J 51 126 | 25 24 m 2H | 23 22 dd 1H J 70 126 | 15 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1ccc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc2c1C
ir: 2 2 2 2 3 5 1 2 4 7 4 4 14 6 31 12 4 6 5 4 7 22 3 12 2 9 6 6 5 5 9 3 6 6 9 5 5 2 5 10 21 35 13 7 3 8 3 100 26 6 13 37 21 6 3 4 12 3 3 4 2 5 3 2 4 8 2 2 2 2 2 3 3 3 2 4 10 3 2 2 2 3 3 2 3 4 3 2 7 2 2 2 6 3 3 3 4 7 5 2 2 4 19 4 4 2 1 2 2 4 2 4 3 4 3 3 4 5 2 11 3 3 2 3 5 3 3 2 5 5 11 4 2 3 7 4 4 1 3 5 8 3 2 3 17 3 3 8 5 2 2 4 33 2 2 16 38 5 23 20 2 23 62 6 4 47 4 0 1 3 2 0 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 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 4 3 3 2 3 4 9 8 8 41 20 10 5 3 3 2 2 2 2 2 2 3 2 1 3 3 10 8 5 3 3 4 20 29 14 23 2 4 5 3 44 21 2 5 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 1 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1; 1HNMR: 88 87 s 1H | 86 85 s 1H | 80 80 d 1H J 81 | 77 77 s 2H | 72 71 d 1H J 79 | 71 71 t 1H J 80 | 69 68 dd 1H J 11 79 | 67 66 dd 1H J 12 80 | 45 45 t 2H J 42 | 32 32 t 2H J 42 | 26 25 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)Cc1cc(C(=O)OC(C)(C)C)cc(Cl)n1
ir: 4 2 1 1 0 1 2 1 2 6 1 2 5 2 1 2 2 4 3 33 40 3 1 1 1 1 16 1 0 1 0 1 0 9 2 4 1 0 1 7 2 1 1 0 1 1 0 0 0 3 3 3 1 1 0 0 0 1 0 3 1 4 6 2 4 5 2 100 10 8 1 1 1 0 1 2 2 1 1 1 4 1 1 1 2 1 0 0 0 0 0 1 1 1 1 1 1 8 8 2 1 4 3 1 1 1 1 4 3 2 6 3 1 2 2 0 8 64 20 16 7 6 4 4 29 7 11 34 8 13 7 16 3 3 1 3 2 0 1 3 16 66 6 3 6 18 16 2 2 0 0 0 0 0 0 4 2 0 1 2 1 82 13 0 0 1 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0 0 0 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 2 2 5 1 2 1 0 1 3 1 1 3 4 4 3 45 15 36 62 18 7 2 6 1 1 1 1 1 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 22 | 76 75 dt 1H J 9 20 | 29 28 dd 2H J 9 68 | 22 20 m 1H | 16 16 s 8H | 10 9 d 7H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cc(Br)ccc1C1NC(=O)N(c2cccc(C(F)F)c2)C2=C1C(=O)CCC2
ir: 1 1 1 1 1 1 1 2 7 3 4 6 16 2 3 3 2 3 2 3 2 4 4 6 6 4 6 6 8 8 9 4 11 10 31 3 2 2 7 5 29 9 31 0 3 9 5 27 4 8 5 3 11 10 3 8 2 2 2 1 1 2 2 2 1 4 30 17 6 6 2 4 3 4 1 2 3 2 2 5 2 1 1 2 1 3 51 3 2 1 10 4 3 5 7 2 7 6 6 4 3 5 2 1 6 18 26 8 5 2 1 4 4 5 5 4 7 6 5 19 7 18 7 1 1 4 2 5 7 4 1 2 2 6 11 2 1 2 6 88 7 10 1 3 2 1 2 2 1 4 3 2 2 4 14 3 3 6 100 8 2 4 14 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 5 2 1 2 2 2 1 2 2 2 1 7 7 8 11 31 17 21 52 16 2 3 4 1 1 1 1 1 1 1 2 1 1 1 3 2 1 1 2 3 2 13 7 58 17 4 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 0 0 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: 79 79 t 1H J 11 | 77 76 d 2H J 12 | 76 75 m 2H | 74 74 m 2H | 73 73 ddd 1H J 11 21 73 | 66 65 d 0H J 10 | 54 53 dt 1H J 10 73 | 32 32 s 2H | 30 29 m 2H | 27 26 m 2H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCn1cc2c(c(C(=O)O)c1=O)CCCC2
ir: 0 1 2 1 1 1 2 1 1 5 7 4 3 5 12 12 2 5 7 4 9 41 50 28 9 6 4 4 2 2 2 3 1 1 1 1 1 1 1 1 1 1 2 1 1 3 3 3 3 10 20 16 4 4 2 4 1 3 2 1 3 2 1 5 3 1 1 1 1 3 2 2 3 2 6 6 59 11 2 0 4 3 1 1 1 2 3 1 2 3 1 1 1 17 2 4 3 2 1 1 7 7 3 4 5 3 1 1 2 5 3 1 3 2 1 2 3 2 1 3 4 2 2 1 2 2 1 2 2 5 1 1 2 2 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 1 3 100 8 0 7 12 3 1 1 2 1 0 2 3 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 2 3 2 1 1 2 1 2 3 8 2 1 1 1 3 12 2 1 1 1 1 11 47 13 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 q 1H J 9 | 39 38 td 2H J 9 68 | 27 26 m 4H | 18 16 m 6H | 14 13 m 2H | 9 9 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)/C=C/c1c(F)ccc2nn(C)cc12
ir: 6 5 3 3 7 6 7 4 4 7 27 9 3 6 27 3 3 3 3 3 5 11 4 3 7 39 3 3 2 4 31 29 3 3 3 2 3 4 3 3 8 4 4 5 2 2 2 2 3 4 4 2 2 3 7 15 6 2 3 3 2 2 3 3 3 5 3 3 7 8 4 9 5 17 17 5 16 5 4 3 4 4 79 9 7 3 4 3 4 3 3 3 3 4 4 3 6 23 6 3 4 3 7 9 4 3 11 7 1 3 4 3 3 6 5 6 4 7 12 12 5 3 4 6 16 5 4 7 34 39 12 4 13 5 4 3 2 3 3 3 3 38 3 22 6 4 51 3 3 2 2 0 42 0 2 3 2 2 2 2 2 30 2 5 8 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 5 4 3 3 3 4 3 3 5 6 7 5 6 11 26 24 62 25 100 9 11 12 4 12 12 5 2 2 3 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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: 80 79 dd 1H J 49 161 | 79 79 s 1H | 76 75 dd 1H J 47 80 | 74 73 dd 1H J 80 102 | 64 63 d 1H J 161 | 42 41 q 2H J 61 | 40 40 s 3H | 13 12 t 3H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C)c(C(=O)c2c(C(F)(F)F)ccnc2Cl)c(OC)c1OC
ir: 4 8 5 3 3 4 3 4 2 4 8 4 2 3 3 3 7 7 4 5 39 18 8 5 4 3 3 7 16 3 7 8 4 3 7 4 3 3 3 2 2 4 11 6 7 7 10 100 14 6 4 3 4 3 3 3 4 7 5 89 5 0 6 5 11 7 4 12 5 3 5 19 24 97 8 5 3 3 6 3 4 2 2 3 3 4 5 3 2 3 6 14 3 3 3 8 3 3 7 43 11 3 4 3 4 5 3 3 13 4 7 4 2 25 13 7 6 5 11 7 13 96 5 3 5 3 3 5 4 3 5 5 3 14 3 4 3 2 2 3 4 3 23 10 3 2 12 4 2 4 33 9 3 4 26 6 3 4 16 8 49 5 2 3 3 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 2 4 4 4 2 2 2 2 2 2 3 3 3 3 3 10 20 7 10 27 13 11 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 2 2 2; 1HNMR: 87 87 d 1H J 37 | 79 78 dq 1H J 22 42 | 69 69 s 1H | 39 39 s 3H | 39 39 s 3H | 38 38 s 3H | 25 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1cc(C(=O)NC2CC2)[nH]n1
ir: 5 3 1 3 4 2 1 3 4 2 1 3 4 3 1 4 5 4 4 4 4 3 4 6 10 6 2 4 3 2 2 3 4 2 3 4 5 2 4 7 14 16 35 100 73 4 6 7 4 3 4 6 3 2 8 5 3 0 4 5 2 1 3 4 2 1 4 4 2 1 4 4 3 6 7 5 4 2 4 4 3 6 21 6 3 2 4 6 3 2 4 4 15 21 6 4 2 3 5 9 2 4 6 60 5 6 8 7 0 3 5 4 2 3 20 10 0 5 7 6 3 6 6 3 0 3 5 3 2 6 10 5 3 8 11 2 94 65 34 47 9 4 5 2 3 9 23 30 7 12 9 5 12 10 7 3 2 4 3 2 4 8 6 3 2 4 3 2 3 4 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 5 6 7 7 6 12 10 6 6 12 9 31 12 5 3 2 3 4 4 3 4 4 3 2 4 4 3 4 4 5 9 18 50 35 45 37 43 35 14 7 8 5 3 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 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 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1; 1HNMR: 95 94 s 1H | 80 79 d 1H J 71 | 70 69 d 1H J 9 | 31 30 heptd 1H J 9 65 | 29 28 dp 1H J 47 70 | 14 14 d 6H J 65 | 10 9 m 2H | 7 6 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(Nc1cc(-c2cc(N3CC4CC3CN4)c3ccccc3n2)ccn1)c1ccccc1
ir: 8 2 3 3 0 1 1 1 0 1 1 1 2 2 3 1 0 2 6 3 2 1 1 1 0 3 6 2 17 2 4 7 2 5 3 2 1 0 0 2 8 14 1 2 19 2 6 1 2 3 0 1 1 1 3 4 1 1 7 0 1 6 2 23 4 7 15 7 9 3 4 2 3 4 1 1 1 2 1 0 1 1 1 1 6 1 4 1 1 1 1 1 2 4 2 1 1 8 2 0 1 1 1 0 2 9 22 7 6 3 11 3 1 2 26 3 1 1 1 1 3 1 0 1 1 1 1 1 1 2 1 1 1 2 2 8 4 12 17 4 1 9 34 7 6 0 2 2 5 10 7 1 2 1 1 2 4 0 0 11 96 8 4 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 0 2 1 1 0 1 1 1 1 4 12 13 14 27 10 6 3 1 2 1 1 1 0 0 1 0 0 1 1 1 2 100 4 3 2 12 32 12 5 2 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 m 2H | 80 80 dd 1H J 14 73 | 78 78 dd 1H J 21 52 | 76 75 td 1H J 13 71 | 75 75 s 1H | 75 74 ddd 1H J 13 69 85 | 74 74 m 2H | 74 73 d 1H J 21 | 73 72 m 3H | 60 60 d 1H J 77 | 47 47 ddt 1H J 57 68 75 | 42 41 tt 1H J 15 37 | 40 40 dd 1H J 7 114 | 37 37 dd 1H J 7 114 | 35 35 ddq 1H J 9 18 44 | 33 33 dt 1H J 19 113 | 31 30 dt 1H J 16 113 | 21 21 m 1H | 20 19 dt 1H J 19 40 | 19 18 m 1H | 16 15 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(Br)cc(C=O)cc1OC
ir: 3 1 3 2 1 2 2 1 0 1 2 1 1 1 2 1 1 2 7 3 2 2 2 4 2 2 2 1 2 4 5 6 2 3 2 1 1 5 2 1 2 3 2 2 2 2 1 1 1 1 1 1 2 1 2 5 3 6 72 26 10 5 2 0 2 3 3 5 8 45 12 2 7 4 3 6 2 1 2 1 1 2 1 1 1 1 1 1 2 2 3 22 5 3 1 1 2 2 2 3 2 1 1 4 45 4 1 2 2 2 0 3 3 2 1 2 2 2 2 2 2 2 2 3 11 4 1 2 2 1 1 2 1 2 1 2 12 1 4 2 2 1 1 2 1 1 8 2 3 100 4 2 2 1 1 2 2 0 1 2 1 1 6 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 3 1 1 2 1 1 1 2 2 1 2 3 2 2 5 3 3 56 15 3 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 98 98 s 1H | 78 78 d 1H J 23 | 74 74 d 1H J 22 | 42 41 q 2H J 63 | 39 39 s 3H | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1ccc2[nH]c(-c3ccccc3)cc2c1
ir: 5 3 0 13 6 19 1 7 6 7 7 6 7 4 14 22 16 7 16 24 29 62 42 48 11 9 13 9 9 7 7 8 11 38 7 31 3 3 2 11 17 4 47 5 4 7 4 3 7 2 1 15 16 9 31 15 1 1 1 2 2 0 2 5 9 11 19 9 9 12 4 2 2 6 13 19 44 39 23 27 21 7 3 2 2 4 4 5 2 5 1 1 3 1 3 5 5 2 1 4 1 10 21 18 6 1 2 1 0 1 1 1 1 2 3 3 22 15 9 2 1 1 2 3 6 6 3 3 5 2 2 1 1 2 7 4 7 10 12 5 8 23 100 18 36 12 30 4 2 1 3 16 3 2 4 20 35 10 2 0 1 1 1 5 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 0 0 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 4 7 7 31 18 45 21 10 5 6 3 2 3 10 22 14 2 1 1 1 1 1 1 1 1 1 2 5 5 15 20 21 31 11 3 3 1 1 1 1 1 1 1 1 0 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 85 85 t 1H J 19 | 85 85 s 1H | 79 79 dd 1H J 16 74 | 79 78 m 2H | 75 75 d 1H J 75 | 74 74 m 1H | 73 73 m 2H | 69 69 d 1H J 24
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#CCCCCC#CC(O)/C(Br)=C/c1ccccc1
ir: 2 5 7 9 5 13 16 4 2 4 8 8 10 10 8 10 1 12 7 4 3 3 4 4 2 2 2 1 2 6 10 17 16 6 2 3 8 6 9 19 11 29 31 1 3 2 2 1 3 4 2 6 3 7 6 3 2 4 5 4 3 9 11 16 9 5 6 7 14 18 4 7 5 4 9 17 20 65 50 20 9 14 12 42 67 47 34 21 5 35 40 8 30 15 3 1 3 2 4 2 2 4 11 8 2 3 3 5 5 7 14 10 7 6 9 4 5 8 6 6 12 5 5 4 4 2 1 2 2 1 1 1 1 3 7 20 7 2 1 2 2 9 97 1 1 3 2 1 2 2 4 5 5 6 3 1 1 1 1 1 1 11 7 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 2 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 2 2 1 2 6 6 2 3 5 3 8 3 4 9 18 31 36 33 53 45 8 5 2 3 1 14 100 79 17 3 0 1 2 2 10 12 5 1 1 2 1 1 2 2 2 2 1 1 1 0 1 1 1 1 1 1 1 1 1 2 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 75 74 ddd 2H J 16 36 86 | 73 73 m 2H | 73 72 m 1H | 71 70 d 1H J 8 | 55 54 dtd 1H J 10 25 51 | 34 33 d 1H J 53 | 24 24 td 2H J 25 49 | 24 23 m 2H | 20 20 t 1H J 26 | 16 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]cccc1Nc1nc(N[C@@H]2CCCNC2)c(F)c(N2CCOCC2)n1
ir: 12 8 5 3 4 8 12 8 4 9 3 2 3 3 1 2 3 2 2 2 4 5 3 3 6 3 5 5 17 13 19 5 4 2 4 5 2 5 17 17 15 5 12 13 28 4 6 5 2 3 2 8 5 24 15 7 7 49 39 18 2 1 3 1 2 4 1 2 2 2 3 8 9 6 1 2 2 2 1 4 1 1 6 1 1 1 2 1 1 1 1 1 1 3 10 8 4 2 2 2 3 1 1 2 0 1 2 2 5 5 37 34 21 5 13 14 8 5 7 5 4 1 12 4 3 4 4 3 3 10 4 3 13 4 2 0 0 2 4 14 28 23 5 2 4 7 2 2 7 2 9 9 16 100 19 82 25 39 8 6 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 1 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 0 0 1 0 1 1 1 2 2 1 1 1 1 2 2 6 4 1 1 1 1 4 5 3 2 1 1 1 1 1 1 1 1 2 1 1 3 4 15 26 10 12 11 63 50 50 26 31 4 2 2 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 82 s 1H | 79 78 td 1H J 13 68 | 74 74 dd 1H J 13 71 | 66 66 t 1H J 69 | 63 63 dd 1H J 48 93 | 38 37 m 1H | 37 37 dd 4H J 47 55 | 35 35 dd 4H J 48 56 | 32 31 ddd 1H J 17 48 128 | 29 28 m 2H | 28 27 dddd 1H J 27 38 53 134 | 25 24 tt 1H J 38 48 | 21 20 m 1H | 19 17 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(Cc2ccc3c(c2)OCO3)C1
ir: 3 1 4 1 2 1 1 1 4 2 5 8 5 6 5 11 4 3 2 3 11 4 8 10 7 9 5 6 5 5 4 7 10 11 8 5 42 11 5 1 9 25 28 3 2 1 2 2 1 1 1 2 5 4 3 16 4 5 2 2 3 1 3 3 5 16 3 5 17 15 11 5 3 1 2 2 7 14 6 5 2 13 3 3 2 13 5 4 3 3 2 2 2 4 3 2 2 1 5 3 1 1 1 1 1 1 3 4 1 3 5 8 2 1 1 1 2 2 1 3 4 4 4 2 1 5 3 3 1 2 3 2 2 2 3 22 6 1 1 1 1 2 7 6 23 13 19 3 2 2 14 1 2 13 5 2 5 93 100 6 6 6 2 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 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 1 1 1 2 1 1 2 2 1 2 1 7 14 38 52 23 6 6 5 2 1 1 2 1 1 1 1 1 1 1 1 40 29 2 2 1 0 1 1 0 0 2 2 1 7 54 4 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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: 74 73 m 6H | 73 72 m 4H | 68 68 dt 1H J 9 17 | 68 67 m 2H | 66 65 s 2H | 59 59 s 2H | 37 36 m 2H | 32 31 m 1H | 30 29 ddd 1H J 43 61 115 | 28 27 ddd 1H J 46 64 117 | 27 27 ddd 1H J 8 43 114 | 25 24 tt 1H J 44 53 | 21 20 m 1H | 19 18 dddd 1H J 44 51 60 119
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1Nc2cccc(Br)c2OC12CC2
ir: 5 5 6 5 4 5 5 5 4 5 6 5 5 10 9 11 10 12 8 6 6 18 13 6 5 11 13 20 10 5 5 6 8 14 73 40 6 9 9 8 10 10 10 19 10 4 23 14 41 9 5 4 5 6 5 4 5 6 5 4 5 6 5 6 7 6 5 4 5 5 5 4 5 6 6 4 5 6 5 5 6 6 6 5 8 6 6 6 12 5 6 5 5 5 6 9 13 7 14 21 9 11 10 13 5 18 24 9 6 5 5 5 5 5 4 7 5 5 5 5 4 5 6 4 3 5 10 5 2 11 94 32 100 2 0 10 12 5 7 14 10 4 4 6 6 4 4 7 7 4 6 15 47 42 7 8 6 4 6 10 25 23 8 9 6 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 4 5 5 4 5 6 5 4 4 5 5 4 5 5 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 4 4 5 5 4 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 6 5 4 12 9 11 5 7 10 12 25 24 18 10 16 13 5 5 5 5 6 5 5 6 9 9 6 6 8 6 8 7 11 11 28 23 20 13 5 5 5 5 5 5 5 5 5 6 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 5 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5; 1HNMR: 95 95 s 1H | 78 78 dd 1H J 13 80 | 75 74 dd 1H J 12 80 | 71 70 t 1H J 81 | 23 23 m 2H | 21 20 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)ON=c1cc(-c2cc3cccn3cn2)oc2ccc(C=O)cc12
ir: 1 2 5 6 10 3 4 3 2 3 3 4 4 11 5 2 3 3 2 3 2 2 2 2 11 3 4 3 2 3 10 7 12 3 4 3 3 37 5 3 8 4 13 100 22 3 2 22 5 5 3 5 38 65 6 3 3 3 4 4 4 18 4 15 12 2 5 5 18 23 48 12 3 8 50 10 5 5 6 39 7 4 2 2 2 3 5 2 2 4 5 7 53 6 2 7 6 7 1 5 19 83 18 24 37 5 3 2 3 2 3 4 2 2 0 7 3 3 7 7 4 6 4 5 8 11 9 17 5 15 20 3 3 3 8 5 4 7 5 2 13 43 16 6 45 6 5 6 36 13 6 9 23 4 4 5 3 12 6 3 2 2 5 4 40 1 6 5 3 2 5 3 4 2 7 4 4 3 3 3 4 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 24 2 2 3 2 2 2 3 3 2 3 5 9 12 24 11 11 36 43 10 41 35 29 15 8 4 3 6 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 2 2 2; 1HNMR: 99 99 s 1H | 93 93 s 1H | 79 79 d 1H J 21 | 79 79 dd 1H J 21 88 | 78 78 dd 1H J 17 41 | 75 75 s 1H | 75 75 d 1H J 88 | 70 69 dd 1H J 41 65 | 69 69 s 1H | 69 69 dd 1H J 17 65 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)CCC1(c2ccccc2)CCCCC1
ir: 0 1 1 1 1 1 1 1 1 1 2 2 3 11 6 5 4 5 5 3 3 3 3 4 5 4 4 14 5 11 11 19 2 5 3 1 1 2 3 1 2 15 7 7 2 2 3 0 2 2 2 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 1 2 2 2 1 1 2 3 1 2 5 4 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 2 0 1 2 1 1 1 1 1 1 1 1 2 0 1 1 1 1 3 2 3 3 3 5 3 2 4 2 2 1 1 2 3 3 2 2 1 1 2 1 1 1 8 3 1 1 3 2 3 1 8 17 11 4 3 2 1 1 2 2 1 9 5 50 66 100 49 25 8 1 0 1 1 1 0 1 1 1 0 1 1 0 1 0 1 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 2 3 2 3 4 1 2 1 2 3 4 8 7 24 8 4 1 1 1 1 0 0 1 1 0 0 1 2 5 19 29 7 19 4 2 1 1 1 1 1 1 2 1 9 86 17 3 2 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 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 73 72 dtt 5H J 16 72 168 | 64 63 s 2H | 24 23 t 2H J 72 | 21 20 m 2H | 20 19 t 2H J 72 | 18 17 m 2H | 17 16 m 2H | 15 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CCc1ccc(O)cc1-c1ccccc1
ir: 2 2 3 2 2 2 2 1 3 4 10 4 4 3 3 3 1 2 3 2 2 1 1 1 2 2 0 1 1 3 15 7 4 4 4 3 5 3 4 2 4 11 20 4 2 1 1 1 1 1 1 2 4 18 17 6 4 2 2 2 1 2 3 2 3 6 12 6 25 3 1 0 16 20 5 4 4 4 6 45 13 15 6 4 2 2 3 41 18 11 4 2 3 5 3 0 0 1 1 2 1 3 2 2 1 1 1 0 1 2 1 1 2 2 5 4 3 1 6 6 5 3 2 3 3 3 4 4 1 4 4 5 2 4 34 11 3 1 3 5 9 17 12 17 66 13 8 3 4 21 8 2 11 3 1 0 0 0 13 1 0 0 4 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 2 2 1 3 2 1 2 3 1 4 8 18 11 21 49 44 13 5 7 3 3 15 100 15 1 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 80 s 1H | 75 73 m 5H | 71 70 m 2H | 67 66 dd 1H J 21 87 | 42 41 q 2H J 65 | 30 30 td 2H J 7 83 | 27 26 t 2H J 84 | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2[nH]c(C)cc2c1OCc1ccccc1
ir: 18 4 4 5 1 2 5 6 3 4 2 1 1 2 2 7 3 1 1 1 1 2 5 3 2 4 5 9 27 8 7 3 3 3 2 1 2 5 21 14 25 22 2 2 2 1 2 9 6 1 1 1 1 13 16 2 2 2 2 2 4 4 6 5 14 6 4 3 8 3 4 1 4 8 2 3 1 2 4 1 2 1 1 1 0 0 1 2 5 30 1 1 1 1 0 2 5 44 14 6 29 4 4 1 2 2 1 29 6 2 1 1 3 5 1 1 0 1 1 2 2 2 1 19 6 2 2 3 12 3 1 1 3 1 4 5 4 2 1 1 2 3 16 16 7 3 10 4 1 1 0 5 2 0 3 4 2 11 13 1 0 6 3 1 1 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 2 3 2 1 3 5 1 2 2 2 2 6 6 3 23 100 60 13 20 3 4 3 1 3 1 2 3 4 2 1 1 1 1 1 0 0 3 5 12 7 15 39 18 70 11 4 1 1 1 0 1 1 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 93 93 s 1H | 74 74 dq 2H J 10 74 | 74 73 m 2H | 73 73 m 1H | 70 70 d 1H J 76 | 69 68 d 1H J 75 | 63 63 d 1H J 8 | 51 51 t 2H J 8 | 39 39 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)Oc1ccc(C(N)=O)cc1Cl
ir: 4 3 2 2 2 2 5 4 5 6 4 5 2 14 7 8 5 3 3 10 9 2 2 2 2 1 2 1 2 3 9 2 3 4 15 2 10 14 7 25 7 2 4 5 2 1 1 1 1 1 1 1 1 2 3 5 3 4 1 1 2 3 3 2 1 1 4 4 2 2 2 2 3 4 2 1 2 1 1 1 1 1 1 1 2 4 1 1 1 1 1 1 1 2 2 4 5 2 2 1 2 1 3 1 1 1 1 1 1 1 1 1 1 2 11 3 3 18 1 7 4 3 2 2 1 4 2 3 3 4 4 3 2 1 1 1 2 1 0 3 60 3 2 2 3 19 10 15 3 5 3 4 3 4 5 2 3 13 63 13 5 3 4 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 1 1 2 3 3 4 7 3 4 34 8 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 2 1 2 2 0 2 100 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 80 80 d 1H J 22 | 78 77 dd 1H J 22 88 | 73 73 s 2H | 72 71 d 1H J 88 | 15 15 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1SC(=O)NN=C1c1ccc2c(c1)C(=NNC1CCCCC1)C(=O)N2
ir: 2 6 1 2 3 3 1 2 3 2 7 8 3 26 34 6 2 3 2 1 4 2 6 13 16 11 13 46 23 9 5 2 3 4 6 8 18 9 8 3 1 2 0 3 9 8 1 6 3 1 4 2 5 2 37 8 3 2 1 0 1 1 1 1 1 2 1 2 5 2 1 1 3 2 6 1 2 1 0 0 1 1 0 0 0 1 1 1 1 3 3 3 2 2 4 6 3 2 0 48 5 5 4 3 2 5 16 7 12 17 8 7 14 9 12 8 4 4 3 3 2 8 9 4 8 15 11 5 7 6 9 3 9 13 20 10 2 0 2 14 4 2 2 2 4 6 16 5 0 0 2 3 4 3 6 19 3 3 6 100 6 2 1 3 6 1 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 2 3 4 5 3 6 9 3 7 21 26 0 1 0 1 1 1 1 1 1 1 2 1 2 3 3 3 3 4 6 8 12 57 49 71 46 10 1 5 3 0 1 1 1 0 1 1 2 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 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 84 m 1H | 83 82 d 1H J 66 | 78 78 m 2H | 46 45 q 1H J 52 | 30 29 dp 1H J 47 64 | 18 17 m 2H | 17 16 m 2H | 15 14 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(-c2cncc(/C=C/c3ccc(C(F)(F)F)cc3)n2)sc1C(=O)NCc1ccccc1
ir: 6 4 2 4 0 3 9 8 11 8 7 8 4 4 2 3 4 16 5 5 9 7 6 2 2 3 1 2 3 3 9 4 2 3 1 2 2 2 3 22 7 3 2 1 0 1 9 1 1 2 4 5 11 9 5 13 22 27 6 6 2 1 2 5 5 4 8 7 4 6 5 25 2 4 4 16 9 5 3 4 4 5 2 1 18 11 7 5 6 9 6 22 3 5 2 2 2 10 8 46 4 2 1 2 0 7 20 2 2 4 9 3 19 34 10 5 5 4 8 8 3 4 8 12 7 8 14 6 3 2 3 3 3 18 17 26 6 5 5 4 16 33 19 26 27 20 10 4 3 2 6 11 10 5 2 1 2 1 1 1 0 0 0 1 0 0 3 0 0 0 0 3 1 0 0 1 0 5 1 0 0 1 0 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 2 1 1 2 3 3 0 1 5 3 2 3 8 16 33 35 100 47 33 7 3 6 5 2 1 2 2 1 1 1 1 0 0 1 1 1 0 1 3 2 30 26 2 1 2 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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: 93 93 d 1H J 16 | 86 86 d 1H J 18 | 82 82 t 1H J 51 | 78 78 dq 2H J 14 110 | 77 77 m 2H | 76 75 m 1H | 74 72 m 7H | 45 45 m 2H | 27 26 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCn1cc(C[C@H](NC(=O)C=Cc2ccccc2F)C(=O)O)c2ccccc21
ir: 2 3 1 1 2 3 9 3 7 3 7 6 6 6 12 4 18 25 7 26 18 21 22 11 12 9 3 2 4 1 2 5 5 11 13 8 1 5 8 15 8 4 61 53 14 5 2 2 1 0 1 2 1 0 1 1 1 1 1 2 1 3 1 3 4 2 4 2 4 4 3 3 3 4 7 3 9 48 23 20 17 9 17 8 6 2 1 2 2 2 2 3 4 3 2 2 2 1 1 1 2 3 3 6 8 3 5 5 4 2 1 4 2 1 2 3 5 2 3 7 17 16 6 18 10 2 6 2 1 1 3 1 1 1 1 2 9 4 7 8 3 22 80 27 59 45 19 22 23 5 3 7 1 1 2 3 1 2 1 0 1 2 1 1 1 0 1 6 1 1 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 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 1 0 1 1 1 1 1 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 1 1 0 1 1 0 0 1 1 1 0 2 2 2 1 2 3 3 2 3 4 7 10 26 39 35 7 6 7 2 1 3 2 50 100 63 9 2 2 1 1 1 1 0 1 3 4 8 32 28 18 6 2 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 92 d 1H J 91 | 83 83 s 1H | 77 77 m 1H | 77 76 m 1H | 76 76 m 1H | 76 75 tdd 1H J 13 40 81 | 74 73 dd 1H J 14 64 | 73 73 m 2H | 72 72 ddd 1H J 14 79 101 | 72 71 td 1H J 14 71 | 70 69 m 1H | 65 64 d 1H J 161 | 47 46 dt 1H J 58 92 | 41 40 td 2H J 8 60 | 34 33 ddd 1H J 7 59 147 | 31 30 ddd 1H J 9 59 146 | 18 17 p 2H J 61 | 14 13 h 2H J 66 | 10 9 t 3H J 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1
ir: 5 2 7 8 9 14 6 5 13 13 29 14 4 9 3 6 5 11 7 8 3 2 1 1 1 2 1 1 1 1 1 2 1 3 2 3 5 10 5 1 1 2 1 1 1 1 1 1 0 1 1 1 2 7 32 8 1 0 1 3 1 1 3 3 5 12 5 6 3 3 5 2 7 3 2 3 2 3 8 8 11 5 5 2 1 0 1 5 4 6 6 3 12 2 2 3 1 2 3 3 47 7 2 7 2 1 4 3 2 2 2 5 11 15 32 7 6 10 33 46 14 8 5 5 8 5 5 15 5 8 10 29 20 10 64 11 3 4 7 2 1 2 2 2 2 2 3 27 30 12 12 100 7 32 4 1 2 1 4 2 1 1 1 1 1 1 1 1 3 1 1 0 1 1 0 1 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 3 2 1 2 3 2 1 2 2 3 2 7 13 23 19 15 30 21 6 3 3 1 1 2 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 77 76 m 2H | 75 74 m 2H | 66 65 d 1H J 155 | 36 36 m 5H | 35 34 m 5H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)CC[C@@H](C)[C@@H](c1ccco1)N(C)C(=O)OC(C)(C)C
ir: 3 10 12 8 30 19 12 26 13 23 43 76 13 22 8 4 5 14 8 5 10 4 7 9 3 1 1 8 1 3 4 23 2 5 7 19 6 42 18 20 9 9 7 4 1 2 2 1 2 2 3 3 2 1 1 1 1 3 2 3 3 14 7 17 8 16 26 47 7 8 4 4 8 7 5 5 5 2 2 2 4 7 11 35 9 5 2 2 2 3 4 19 4 8 11 12 4 4 8 8 13 34 11 11 18 12 13 9 13 7 4 5 29 16 6 14 24 31 13 67 30 26 42 47 57 29 17 30 36 27 17 30 14 10 6 18 21 5 8 9 11 25 15 38 54 100 30 10 8 56 30 35 23 19 4 2 2 2 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 1 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 7 6 10 6 3 10 12 6 3 6 8 12 10 11 20 98 18 5 16 8 26 55 17 7 3 2 2 1 1 1 0 1 1 1 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 73 t 1H J 16 | 63 63 dd 1H J 16 56 | 63 63 m 1H | 46 45 dddd 1H J 14 21 34 92 | 42 41 q 2H J 66 | 29 29 d 3H J 14 | 24 23 m 2H | 23 22 dt 1H J 93 154 | 19 18 dtd 1H J 68 93 134 | 16 15 dtd 1H J 67 92 134 | 15 14 s 7H | 13 12 t 3H J 66 | 9 8 dd 3H J 15 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CNC(=O)c2cc3c(Cl)ccc(F)c3n21
ir: 3 1 1 2 3 1 0 2 3 3 1 3 7 11 2 2 3 6 8 3 2 3 4 3 5 6 1 4 18 2 1 3 2 2 3 13 100 35 8 14 22 2 3 6 7 4 4 6 2 1 1 2 2 8 22 13 3 1 2 4 2 1 2 3 1 2 2 4 4 1 2 3 2 2 3 2 1 0 2 2 1 1 2 3 1 3 2 2 1 1 2 2 1 4 3 2 1 1 2 13 0 1 3 2 1 3 6 5 1 4 7 3 1 2 4 4 3 5 15 12 18 7 4 5 13 10 7 6 8 6 4 5 17 15 8 5 3 2 3 1 1 3 7 5 1 2 2 1 3 2 2 6 24 7 2 2 35 31 68 11 2 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 3 2 2 1 2 2 2 1 3 5 5 3 6 7 5 5 20 20 15 10 11 7 4 2 2 4 3 1 2 2 1 2 2 3 3 4 4 3 5 10 11 26 20 6 7 6 2 2 3 4 3 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 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; 1HNMR: 77 77 s 1H | 74 74 dd 1H J 47 65 | 72 72 dd 1H J 64 101 | 62 62 t 1H J 38 | 46 45 qd 1H J 29 54 | 34 33 dd 1H J 39 115 | 32 31 ddd 1H J 30 39 115 | 12 12 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)CNC(=O)CC(C)=O
ir: 2 2 2 2 2 2 2 4 3 3 4 4 18 4 9 13 4 1 1 2 6 2 2 2 3 4 10 10 8 15 13 6 10 10 14 9 7 2 1 4 1 0 1 2 2 2 2 5 3 2 4 3 1 7 3 5 6 1 1 3 2 4 7 3 5 2 2 2 3 14 3 6 7 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 3 1 3 2 7 3 1 5 1 1 1 0 1 2 1 1 1 2 1 1 1 2 3 2 7 3 6 0 6 7 16 79 16 10 10 6 7 2 2 2 3 2 4 3 2 3 3 8 46 12 12 12 100 25 55 12 7 4 2 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 0 1 1 0 1 1 1 1 1 1 3 8 3 2 2 1 2 3 4 13 18 4 3 2 2 2 2 2 1 1 1 0 1 1 0 0 1 1 1 1 2 1 2 4 5 24 23 12 17 5 12 7 4 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 1 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 t 1H J 61 | 39 39 d 2H J 60 | 37 37 s 3H | 35 35 s 2H | 23 22 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(NCCNC(=O)OC(C)(C)C)nc1NC(=O)OC(C)(C)C
ir: 7 7 3 4 2 2 3 2 3 4 2 2 2 3 9 1 1 1 1 1 1 1 5 1 2 5 2 2 1 2 4 6 3 14 23 22 78 20 13 39 16 15 34 8 7 1 4 2 2 0 1 2 13 4 4 1 2 3 2 2 1 2 3 6 1 1 3 1 0 0 1 2 0 1 1 4 2 1 6 1 1 0 0 0 0 0 0 1 0 1 0 1 0 0 1 1 1 2 8 5 1 1 0 1 2 41 2 1 1 2 2 4 2 1 1 8 3 2 4 3 8 5 2 3 18 3 2 2 1 4 10 6 2 0 0 1 1 1 6 11 5 1 78 14 28 15 19 8 5 46 11 13 1 6 4 100 32 14 3 2 44 3 1 1 1 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 2 1 2 0 1 2 1 0 1 1 2 2 2 8 19 2 6 16 4 2 1 1 1 1 1 1 0 0 1 2 1 0 1 2 1 1 1 3 4 20 24 58 69 74 20 2 3 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; 1HNMR: 92 91 s 1H | 82 81 d 1H J 82 | 67 66 d 1H J 82 | 64 64 t 1H J 49 | 56 56 t 1H J 49 | 39 39 s 3H | 37 36 q 2H J 48 | 34 34 q 2H J 48 | 15 14 s 8H | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C1=Nc2ccccc2-n2cnnc2C1
ir: 32 17 4 7 6 3 4 4 5 3 1 4 11 16 1 5 10 6 0 5 6 2 1 4 6 2 9 12 5 1 1 5 7 4 3 10 5 1 6 7 19 39 13 100 19 3 3 5 8 12 6 5 3 1 5 9 3 1 3 6 3 1 4 5 3 1 4 6 6 6 11 10 5 1 4 8 2 1 4 5 2 2 11 6 4 7 5 7 4 3 12 32 19 3 6 4 1 2 5 4 2 2 4 3 5 14 6 3 0 3 6 6 6 4 6 3 0 4 7 13 14 8 5 3 2 3 4 2 1 4 5 5 8 34 13 2 1 8 11 15 18 7 7 12 30 9 5 1 3 16 25 3 11 10 4 2 7 5 4 1 2 6 4 0 2 5 3 0 3 5 3 0 3 5 2 0 3 5 2 0 3 5 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 1 2 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 2 2 4 4 1 2 4 4 1 2 4 4 1 2 4 3 2 5 8 7 4 3 4 3 2 3 10 8 2 57 89 34 2 5 6 3 1 4 5 3 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 5 3 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 88 88 s 1H | 79 79 t 1H J 66 | 77 77 dd 1H J 14 58 | 75 75 ddd 1H J 14 64 71 | 75 74 td 1H J 13 61 | 74 73 dd 1H J 13 72 | 37 37 d 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCC2(CC1)N[C@@H](Cc1ccccc1)C(=O)N2Cc1ccccc1
ir: 3 2 6 6 10 7 2 5 5 6 6 15 5 5 8 9 4 2 3 5 2 4 3 1 3 3 4 2 3 3 27 10 4 8 26 48 27 8 5 29 20 22 7 4 4 7 2 2 1 2 1 1 1 1 1 2 1 1 2 4 3 1 2 3 1 1 2 2 4 14 1 4 4 1 2 5 3 5 3 1 1 0 1 1 2 1 1 6 6 21 2 3 2 3 2 2 3 9 8 3 10 4 5 3 2 1 3 4 3 2 7 21 2 7 5 6 6 9 18 42 17 22 9 35 6 4 6 8 7 8 6 7 34 9 12 59 11 7 3 1 2 3 11 30 6 4 6 1 4 32 9 27 2 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 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 1 2 2 2 1 3 3 4 2 4 2 3 3 12 13 16 15 100 16 11 3 3 2 1 1 3 2 1 1 2 1 0 2 2 2 2 27 46 19 3 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 73 m 1H | 73 72 m 10H | 46 45 d 2H J 7 | 40 39 td 1H J 57 65 | 38 37 ddd 2H J 36 63 132 | 35 34 ddd 2H J 36 62 132 | 32 31 d 1H J 57 | 30 29 ddt 1H J 8 64 137 | 27 26 ddt 1H J 9 65 138 | 22 21 ddd 2H J 35 62 126 | 20 19 ddd 2H J 36 63 128 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)C=C(c2ccccc2)c2cc(Br)c(O)cc2O1
ir: 71 6 9 9 8 2 2 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 3 1 1 3 1 1 4 2 7 12 2 2 2 1 2 4 3 16 10 5 6 12 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 3 4 3 1 13 20 24 7 1 1 17 13 1 3 5 3 3 0 2 2 1 10 46 4 4 5 4 1 1 1 4 4 2 2 1 1 1 1 8 13 4 1 1 2 3 1 1 1 0 1 1 2 2 4 2 1 1 2 2 1 1 1 1 1 10 2 4 1 7 2 3 3 3 15 3 2 3 7 13 3 17 4 2 1 2 11 4 2 1 7 25 3 2 4 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 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 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 2 1 1 1 1 1 1 1 1 1 1 0 2 2 2 4 6 16 26 100 29 5 4 2 2 3 1 9 26 3 1 1 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 75 75 m 3H | 75 74 m 2H | 73 72 ddt 1H J 16 76 92 | 64 64 s 1H | 57 56 hept 1H J 11 | 55 55 s 1H | 14 14 d 6H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC2(CCN(c3nc4cc(C(F)(F)F)cnc4[nH]3)CC2)c2ccccc21
ir: 6 3 1 2 3 2 4 28 16 5 2 4 14 8 2 6 6 1 2 7 44 100 28 32 6 29 16 3 5 5 5 1 1 3 11 3 5 9 6 34 29 11 30 16 9 2 1 1 2 2 1 1 1 1 1 6 3 5 18 0 1 5 1 0 1 2 4 12 14 16 2 2 4 3 4 18 3 2 1 1 3 4 2 11 9 3 3 3 1 5 7 11 3 6 4 3 5 11 2 35 6 2 1 2 1 1 1 2 7 20 29 8 6 9 7 2 1 2 10 11 21 9 6 13 6 14 23 9 11 14 8 9 5 9 14 14 82 15 3 2 1 2 33 4 2 2 4 13 22 3 3 18 35 25 12 18 29 4 13 13 1 8 58 1 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 1 1 1 0 1 1 0 0 1 0 0 1 1 1 1 1 4 3 1 2 2 2 1 3 3 23 8 5 21 41 3 8 5 1 0 1 1 1 1 1 0 1 2 1 1 1 1 1 1 1 2 5 10 26 34 13 5 7 4 1 3 0 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 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 85 85 p 1H J 13 | 79 78 m 2H | 76 75 m 2H | 74 73 ddd 1H J 16 68 81 | 41 40 ddd 2H J 48 75 136 | 39 38 ddd 2H J 47 74 135 | 27 27 ddd 2H J 47 74 135 | 24 23 ddd 2H J 47 74 135
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=S(=O)(Cc1ccccc1)Nc1ccccc1
ir: 1 1 1 2 1 1 3 2 4 1 3 1 1 1 2 1 2 1 1 3 0 1 1 1 1 1 2 3 4 2 3 4 3 3 7 7 5 2 3 9 3 4 5 5 5 4 4 2 0 1 1 0 0 2 4 2 3 1 1 0 0 0 0 1 1 0 1 1 3 15 2 0 1 1 1 1 1 3 2 0 1 1 1 0 4 13 14 5 5 2 8 8 10 1 0 0 1 5 4 3 7 12 1 1 1 0 0 0 5 1 0 0 1 0 0 0 2 2 1 1 1 1 0 1 4 3 3 4 12 2 2 1 1 1 1 8 1 0 0 0 1 1 2 5 9 2 2 1 1 1 0 4 3 1 1 1 0 0 0 0 29 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 4 1 0 0 1 1 1 0 7 4 10 20 7 4 2 1 1 2 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 1 2 25 100 9 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; 1HNMR: 75 74 s 1H | 74 73 m 7H | 73 72 m 2H | 70 69 tt 1H J 13 68 | 44 44 d 0H J 16 | 44 44 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CCO)CCCOCCc1ccc2sccc2c1
ir: 2 3 4 4 9 6 7 3 4 2 3 2 3 4 2 5 3 3 2 1 2 2 1 1 1 1 2 1 5 8 5 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 11 5 2 1 2 1 1 1 1 1 1 2 1 3 3 6 3 2 3 2 1 1 2 1 0 1 1 2 7 9 18 6 3 10 5 7 6 5 6 5 22 6 2 2 3 2 2 4 2 2 1 1 1 0 0 1 1 2 2 2 1 1 0 1 1 1 1 1 2 1 2 2 1 1 1 2 1 3 13 2 1 1 1 1 1 5 1 1 0 0 0 0 0 0 0 1 1 0 0 1 0 1 1 1 0 0 0 0 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 1 1 0 0 0 1 1 0 1 1 2 1 1 2 2 1 1 1 1 2 6 4 3 4 4 15 23 5 5 24 45 100 23 7 2 4 1 1 2 1 1 0 1 1 0 0 1 0 0 0 1 0 0 1 0 1 1 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 m 2H | 75 74 d 1H J 53 | 73 73 dd 1H J 21 54 | 72 71 ddt 1H J 9 20 77 | 39 39 m 1H | 37 36 t 2H J 59 | 36 36 q 2H J 60 | 35 34 t 2H J 63 | 29 28 tt 2H J 9 60 | 26 25 dt 4H J 63 69 | 23 23 s 2H | 18 17 p 2H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.