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COc1ccc(C(OC)(OC)c2ccc(OC)cc2OC)c(OC)c1
ir: 3 4 4 3 4 2 0 1 4 1 1 2 4 4 5 4 6 5 5 8 5 6 6 3 7 6 4 3 2 2 2 2 2 1 1 1 3 2 3 3 5 2 1 1 1 0 1 3 1 0 3 7 51 34 30 21 8 8 6 4 3 1 12 19 9 21 32 49 35 17 7 7 3 17 19 4 5 4 2 1 1 1 1 1 1 2 3 13 8 6 3 4 1 1 1 2 2 7 2 1 1 3 24 5 3 11 10 15 16 9 7 4 1 2 1 2 3 3 3 8 7 9 5 11 7 7 12 14 7 3 1 1 1 1 1 1 1 1 1 1 1 1 1 10 9 2 1 1 1 3 18 21 12 21 35 10 5 2 3 2 2 5 59 13 2 2 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 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 2 1 1 1 2 1 0 2 4 6 12 11 12 8 100 46 2 4 5 2 1 1 3 1 0 1 2 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 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 74 74 d 2H J 83 | 68 68 dd 2H J 24 82 | 65 65 d 2H J 24 | 39 38 s 6H | 38 38 s 6H | 34 34 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1ccccc1O
ir: 7 6 4 16 23 16 5 6 13 7 4 11 15 6 10 16 25 13 14 25 33 22 16 7 15 9 4 13 14 15 7 14 11 4 5 15 10 6 6 7 6 3 59 43 7 2 5 7 11 2 9 6 4 2 11 7 6 0 9 11 5 4 4 8 3 0 4 7 12 20 7 8 3 4 8 13 5 4 11 21 8 11 7 6 3 2 7 66 20 22 7 4 3 14 19 7 2 3 7 14 99 19 16 21 16 19 8 4 1 3 7 15 1 3 6 3 1 3 6 3 3 8 6 4 2 6 20 43 5 5 8 3 4 5 5 2 0 22 28 3 2 8 11 14 23 5 4 2 3 59 8 2 2 4 3 2 2 4 3 5 6 5 3 1 2 5 3 0 2 5 3 0 3 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 3 0 3 5 3 0 3 5 2 1 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 3 1 2 4 3 1 2 4 3 2 4 5 3 1 2 4 3 1 3 5 3 1 6 19 10 5 40 19 77 14 6 9 18 51 100 14 12 5 6 4 3 2 3 4 2 2 3 3 4 4 6 5 9 51 76 39 2 2 4 4 2 2 4 3 1 2 4 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 1 3 3 2 1 3 3 2 1 3 3 1 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; 1HNMR: 87 87 s 1H | 73 72 dd 1H J 16 79 | 70 69 m 2H | 69 69 dd 1H J 17 84 | 64 63 s 1H | 31 30 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCS(=O)(=O)N1CCC(CN)(N2CCCCC2)CC1
ir: 6 14 5 30 10 15 10 4 22 25 17 20 2 27 8 3 3 6 8 3 0 2 4 1 1 2 3 1 1 3 3 1 3 7 7 2 2 8 7 2 2 8 5 3 7 4 2 2 5 26 17 7 18 16 11 19 11 11 3 10 16 20 17 12 3 8 4 40 33 18 6 25 16 34 84 25 18 10 56 57 100 32 52 42 24 37 56 42 58 33 17 18 11 16 17 12 5 3 6 8 15 20 8 11 9 7 28 30 16 9 2 8 5 16 25 7 9 8 13 6 14 19 36 25 16 9 9 26 25 24 17 45 56 30 14 14 16 14 6 14 8 5 3 3 4 1 1 2 3 1 1 2 2 1 2 3 2 1 1 2 2 1 1 2 1 0 1 2 2 0 1 2 1 0 1 2 1 0 2 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 3 1 0 1 2 1 1 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 1 1 3 2 1 1 2 2 2 1 2 2 1 1 3 3 3 4 6 7 8 10 11 5 4 4 5 9 22 30 21 8 4 4 4 2 1 2 2 2 2 4 7 13 7 17 20 32 28 48 46 19 9 5 48 60 14 4 4 2 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 1 1 2 2 1 1 2 1 0 1 2 1 0 2 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 34 33 ddd 2H J 47 73 130 | 33 32 ddd 2H J 47 73 130 | 32 31 m 2H | 28 28 t 2H J 70 | 26 26 m 4H | 20 19 ddd 2H J 47 73 120 | 19 17 h 2H J 88 | 17 16 m 4H | 16 16 tt 4H J 39 49 | 15 15 m 2H | 10 10 t 3H J 87
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC)C(C)=O)C1=O
ir: 3 2 0 4 8 2 2 3 4 3 1 7 7 6 18 8 5 4 6 6 5 2 2 2 5 3 2 5 10 17 4 8 36 4 8 9 10 23 5 3 4 2 4 5 3 4 7 10 20 3 4 14 14 29 16 40 7 11 8 6 5 8 4 4 5 14 21 17 12 14 10 10 8 6 9 7 5 5 4 3 3 3 2 6 5 6 13 7 11 10 5 12 9 7 9 4 6 6 26 11 4 3 3 4 2 4 6 9 5 10 5 3 3 4 3 5 7 10 15 14 24 13 11 7 6 24 14 33 16 8 6 5 4 4 6 12 14 8 12 25 12 23 29 5 5 8 40 46 46 7 4 3 7 3 8 7 3 3 3 2 4 3 2 1 2 2 2 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 2 2 2 2 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 2 2 2 2 2 3 2 2 2 3 3 3 3 4 3 2 3 5 4 2 5 6 19 16 8 25 32 13 59 100 32 20 23 18 10 6 6 10 4 2 3 3 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 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; 1HNMR: 74 73 m 5H | 73 72 m 3H | 57 56 ddt 1H J 78 110 165 | 52 51 dq 1H J 13 163 | 51 50 dq 1H J 13 108 | 49 48 m 1H | 44 43 th 1H J 15 60 | 36 35 m 1H | 24 23 ddt 1H J 15 77 146 | 22 22 m 4H | 22 21 m 1H | 22 22 s 0H | 20 19 m 2H | 19 17 dqd 1H J 62 76 121 | 12 12 s 2H | 10 9 td 3H J 15 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Sc2sccc21
ir: 4 3 2 5 5 2 2 2 2 3 5 6 1 2 1 1 1 1 1 1 4 3 1 1 2 3 3 5 6 6 3 6 12 11 14 13 35 66 61 16 5 3 9 16 23 19 4 5 4 1 1 2 1 2 3 8 3 1 4 3 2 3 2 2 1 1 2 4 8 8 2 2 1 1 2 2 2 4 7 3 2 1 16 4 6 7 5 2 2 1 2 2 3 3 2 2 1 1 2 1 1 1 2 6 2 1 2 1 1 1 2 1 3 8 8 7 3 4 9 6 6 15 21 73 52 15 5 7 10 9 7 5 21 36 48 19 10 13 5 2 1 3 10 24 23 9 17 45 13 21 20 7 7 9 24 36 2 1 1 1 4 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 2 2 12 6 7 2 4 2 0 7 16 18 13 17 100 59 15 24 7 9 12 2 1 1 1 1 1 1 2 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 75 74 m 5H | 73 72 d 1H J 53 | 71 71 d 1H J 55 | 39 38 ddd 2H J 29 57 125 | 35 35 ddd 2H J 30 58 125 | 30 30 s 2H | 23 23 ddd 2H J 30 58 125 | 21 20 ddd 2H J 30 58 125
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1ccc(C2CN=C3c4ccccc4NC(=O)N3C2)cc1
ir: 14 6 16 11 8 8 31 16 17 14 26 6 4 3 3 3 6 18 4 3 3 2 13 3 3 1 1 3 1 1 4 1 6 2 5 2 2 2 1 2 2 8 6 14 67 6 4 8 3 2 3 4 7 4 10 15 4 1 2 2 1 2 3 1 2 1 1 5 3 6 1 2 1 1 3 5 2 4 5 3 2 1 1 2 1 6 3 2 1 5 5 2 1 1 2 4 5 3 7 5 1 2 7 2 1 3 8 3 14 5 2 2 2 2 1 2 1 1 1 4 1 2 2 2 1 2 4 6 5 3 6 8 2 4 2 2 1 1 1 7 1 1 1 1 1 2 1 1 4 2 3 3 3 7 30 82 44 10 30 7 2 0 3 63 13 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 2 3 3 3 4 9 9 15 16 6 3 1 2 2 1 1 1 1 1 1 1 1 1 1 4 29 42 6 4 3 5 13 47 7 6 4 14 100 50 11 6 4 3 2 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 79 78 dd 1H J 13 81 | 77 77 dd 1H J 16 78 | 76 75 td 1H J 16 80 | 71 70 m 3H | 66 66 m 2H | 45 44 dd 1H J 52 118 | 42 42 m 1H | 42 42 s 2H | 41 40 dd 1H J 60 111 | 38 37 dd 1H J 60 112 | 34 33 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(-n3cnc(C)c3)nc(C#N)c(N3CCCC3)c2c1
ir: 6 4 2 2 5 3 2 3 3 3 2 2 3 2 4 5 4 3 3 3 4 4 3 4 3 2 2 3 2 2 2 2 3 3 4 5 3 2 7 7 4 2 8 9 4 4 7 5 8 8 3 4 4 11 33 4 4 4 6 20 5 4 5 4 4 2 3 4 10 8 6 3 4 4 6 5 5 3 3 3 2 2 2 2 2 2 8 6 3 3 3 3 3 4 8 4 3 18 8 4 4 3 2 3 4 4 0 18 4 6 7 16 29 11 6 6 5 5 11 4 3 6 4 5 5 6 5 5 6 10 8 5 11 6 4 2 2 3 5 2 2 3 4 3 2 4 11 4 3 3 7 2 2 3 3 5 3 4 3 5 2 3 2 2 2 2 2 2 3 2 7 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 1 2 2 2 1 2 2 3 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 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 3 3 3 4 3 2 5 6 7 7 5 4 5 8 5 20 22 8 29 100 29 23 30 8 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 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1; 1HNMR: 84 84 d 1H J 16 | 81 80 m 2H | 75 75 dd 1H J 8 16 | 69 69 dd 1H J 27 84 | 38 38 s 3H | 38 37 td 4H J 19 35 | 24 23 s 3H | 20 20 p 4H J 19
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(S(=O)(=O)n2ccc3c(NCC(F)(F)F)nc(I)nc32)cc1
ir: 13 4 7 3 6 4 10 4 7 13 12 15 7 4 11 14 3 3 2 2 2 1 1 3 6 7 1 3 2 2 2 3 33 5 2 2 2 2 4 3 23 86 3 6 3 1 2 3 2 0 1 3 8 8 3 10 2 0 2 4 2 2 3 8 15 2 2 2 1 1 4 12 2 1 2 3 2 1 2 3 7 3 3 4 43 3 2 4 4 3 5 4 2 4 21 6 1 4 5 11 6 5 5 2 2 10 5 5 5 2 3 1 0 2 4 6 5 3 10 20 3 3 5 8 12 7 4 4 21 8 2 2 2 2 3 1 1 15 3 2 5 4 3 51 6 3 4 25 5 17 4 10 100 11 4 0 1 5 5 88 6 3 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 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 2 2 2 2 2 2 2 1 2 2 2 2 2 4 4 5 36 21 8 23 10 4 4 7 3 2 2 2 2 2 1 1 2 3 2 1 2 2 3 7 5 15 35 23 5 4 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 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 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1; 1HNMR: 80 80 d 1H J 73 | 78 77 m 2H | 77 76 tt 1H J 24 48 | 75 75 d 1H J 73 | 72 72 m 2H | 43 41 qd 2H J 53 130 | 24 24 d 3H J 9
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(-c2ccc3nc(N4CC[C@@H](N5CCCCC5)C4)sc3c2)n1
ir: 8 15 23 7 5 5 4 8 17 3 6 3 3 2 5 5 3 2 3 2 1 3 2 1 2 3 2 2 2 5 3 1 1 2 9 2 2 3 4 2 1 3 2 1 2 5 17 24 31 16 4 3 3 6 4 3 13 3 3 2 4 4 3 2 8 6 16 6 6 6 2 1 2 5 7 4 3 2 4 25 13 8 4 11 17 6 2 5 11 6 9 4 5 2 2 4 3 5 14 11 4 3 1 8 4 2 2 2 6 13 9 3 9 23 6 4 3 8 8 6 7 12 9 5 7 5 8 14 18 12 9 4 4 3 3 7 14 73 8 16 5 2 2 3 11 8 1 2 3 7 5 10 3 0 1 14 100 10 5 1 2 2 3 2 3 2 1 2 1 1 1 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 3 3 3 4 3 3 5 3 3 9 8 14 12 32 55 33 10 2 3 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 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 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 84 84 t 1H J 14 | 80 79 m 3H | 78 78 dd 1H J 14 76 | 78 77 t 1H J 75 | 40 40 s 2H | 39 39 ddd 1H J 8 29 117 | 38 38 ddd 1H J 46 64 131 | 37 36 m 2H | 32 31 dddd 1H J 18 31 49 80 | 28 28 ddd 2H J 41 58 120 | 26 25 ddd 2H J 40 58 119 | 22 21 m 1H | 19 18 ddt 1H J 47 66 115 | 16 15 qt 4H J 39 58 | 15 14 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1cc(-c2cc(CCl)cnc2OC)ccn1
ir: 3 2 3 3 5 7 3 4 4 4 6 3 3 4 4 8 20 4 3 5 8 20 13 19 6 3 3 4 3 3 3 5 17 13 22 14 29 31 31 32 8 9 11 15 7 8 8 2 2 3 3 2 3 3 3 11 12 5 4 8 3 4 4 4 19 10 15 20 45 8 11 9 8 10 18 7 9 5 4 3 4 6 6 5 7 4 4 3 4 7 3 4 6 22 21 5 7 6 4 7 4 3 2 2 3 3 3 4 7 5 3 5 4 8 17 7 36 6 9 8 14 34 8 16 9 14 7 7 8 3 6 6 12 100 20 4 6 25 13 5 4 2 3 36 17 7 6 15 44 24 7 6 4 31 12 5 4 2 62 11 7 0 80 13 3 6 3 0 3 4 2 1 2 4 2 1 2 3 2 2 2 3 2 2 2 3 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 3 2 3 3 3 3 2 3 4 3 2 4 4 3 4 4 7 12 12 12 50 43 9 5 6 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; 1HNMR: 82 82 m 2H | 79 78 dt 1H J 9 17 | 74 74 dd 1H J 22 46 | 72 71 d 1H J 22 | 47 47 d 2H J 9 | 43 43 q 2H J 67 | 41 40 s 2H | 14 14 t 3H J 67
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)C(=O)C(NC(=O)c1ccc(F)cc1)C(=O)OCc1ccccc1
ir: 3 10 7 4 5 3 3 3 3 1 0 1 1 1 1 1 7 1 1 1 1 5 12 4 4 4 3 3 12 10 19 2 1 3 4 4 2 2 15 24 100 49 13 5 14 4 7 3 3 2 1 2 8 2 2 1 17 2 2 1 1 1 1 2 3 4 3 11 2 17 3 2 1 2 1 1 5 11 3 2 5 1 1 1 1 1 1 5 18 1 3 1 1 3 2 1 1 4 1 2 0 1 2 0 1 1 1 1 0 1 2 14 7 6 6 7 4 2 5 5 6 6 2 2 6 16 19 9 6 0 1 1 2 3 16 20 4 0 2 2 14 9 8 95 24 53 48 18 4 7 3 4 1 1 4 2 2 0 0 1 1 0 1 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 1 1 1 1 1 2 1 2 2 11 3 2 8 8 15 86 23 8 5 7 7 3 4 3 2 2 1 1 1 0 1 1 1 1 2 1 1 3 4 8 23 10 5 2 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 m 2H | 76 75 d 1H J 95 | 74 73 m 8H | 59 59 dd 1H J 11 20 | 58 57 p 1H J 13 | 52 52 d 1H J 120 | 52 51 d 2H J 93 | 21 20 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc2cccc(NCCCNC(=O)OC(C)(C)C)c2n1C
ir: 21 7 17 7 21 51 24 14 5 23 41 7 3 2 5 5 14 18 20 7 6 3 46 16 10 18 34 33 54 11 4 5 4 5 3 1 3 13 6 2 1 2 1 2 4 9 10 3 4 10 27 11 4 6 5 3 3 2 1 0 1 2 3 2 3 2 3 4 5 4 3 3 3 6 6 4 9 6 2 8 2 1 1 0 1 1 1 0 0 1 0 1 4 5 7 5 2 2 4 2 2 1 1 1 2 5 11 9 18 5 5 2 6 10 14 5 5 5 7 8 14 20 36 29 16 9 1 7 7 35 24 8 4 2 4 2 3 16 16 15 8 5 3 47 100 83 68 11 9 41 23 16 3 1 8 5 3 1 2 4 13 13 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 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 1 1 1 1 1 2 2 2 2 3 1 3 2 2 2 2 3 3 4 18 31 4 8 29 20 15 8 5 2 1 1 1 2 1 4 2 2 2 2 2 1 1 4 3 13 23 47 45 76 65 42 6 5 5 3 4 2 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 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; 1HNMR: 76 76 ddd 1H J 12 22 70 | 74 74 d 1H J 21 | 72 71 t 1H J 70 | 68 68 dd 1H J 11 71 | 58 58 t 1H J 46 | 53 53 t 1H J 51 | 43 42 q 2H J 64 | 38 38 s 3H | 33 33 td 2H J 44 51 | 32 32 q 2H J 51 | 19 18 p 2H J 52 | 14 14 s 8H | 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.
CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2)C1
ir: 3 3 1 6 14 12 7 6 2 10 26 47 9 3 2 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 4 2 1 4 4 2 1 1 1 1 2 2 1 2 1 3 3 9 23 100 94 20 8 7 3 3 2 4 3 2 1 2 2 3 4 3 3 3 4 3 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 4 5 3 1 2 2 2 3 2 2 1 4 4 2 2 5 2 3 3 9 5 8 8 5 13 18 13 8 6 3 4 8 5 7 7 4 6 8 6 9 7 14 18 59 8 1 1 2 1 1 1 1 3 1 2 1 10 54 8 4 43 25 21 4 3 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 2 2 1 2 3 3 2 3 3 3 4 2 3 4 1 6 24 44 27 18 7 24 6 4 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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: 70 70 m 2H | 69 68 m 2H | 48 48 tt 1H J 26 35 | 39 39 ddd 1H J 7 20 120 | 37 36 m 2H | 36 35 ddd 1H J 53 72 123 | 24 23 dddd 1H J 36 53 71 106 | 21 20 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)n1ncc2cc(Br)ccc21
ir: 0 4 4 1 1 3 3 1 0 4 8 3 7 15 11 12 39 69 100 16 58 4 5 2 1 2 2 1 2 3 3 12 51 9 2 1 2 2 3 4 17 5 4 0 1 3 2 0 1 3 2 1 2 3 52 68 4 4 3 1 3 4 4 2 3 4 4 17 12 49 22 5 3 3 2 1 2 3 3 7 5 11 10 1 2 3 1 1 4 2 2 4 46 9 1 22 46 4 3 4 3 15 14 2 4 3 0 4 6 17 30 3 4 3 1 5 11 49 16 21 13 13 3 4 7 8 95 63 2 2 3 35 9 5 2 3 2 2 4 3 6 16 10 4 11 23 9 11 27 17 2 3 3 22 69 13 1 2 2 2 2 2 8 4 1 1 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 3 4 5 4 3 4 3 2 2 4 3 3 7 11 6 1 31 21 50 50 22 13 4 4 4 5 5 4 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2; 1HNMR: 83 83 d 1H J 17 | 82 82 m 2H | 76 76 dd 1H J 21 87 | 28 28 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2nccc(Oc3ccc(-c4ccc(Cc5ccccc5)nn4)cc3F)c2cc1OC
ir: 1 1 2 2 2 2 3 2 1 2 2 2 1 2 1 1 3 3 6 4 2 4 4 2 2 2 2 1 1 3 5 5 9 3 3 9 4 3 3 28 36 7 2 4 1 1 3 4 3 4 20 5 11 35 47 14 4 1 1 2 4 1 2 4 2 2 5 26 100 12 2 2 4 6 20 4 2 2 7 4 2 1 3 1 1 1 1 4 10 9 2 3 4 3 1 1 2 11 11 2 1 4 1 1 1 1 1 1 1 1 1 3 1 1 3 5 1 3 3 4 5 2 2 2 7 4 5 3 2 1 0 1 4 3 17 35 5 3 7 1 1 5 6 16 4 3 5 10 6 18 8 11 4 4 6 36 35 16 6 24 4 4 1 2 1 1 2 7 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 3 1 1 1 2 2 0 2 7 5 12 40 88 37 36 8 2 2 3 1 1 3 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 86 85 d 1H J 49 | 79 79 d 1H J 79 | 77 77 dd 1H J 22 97 | 77 77 s 1H | 77 76 dd 1H J 21 121 | 74 74 dt 1H J 9 79 | 74 74 s 1H | 72 71 m 6H | 71 70 dd 1H J 47 98 | 70 69 d 1H J 49 | 42 41 q 2H J 9 | 39 39 s 2H | 39 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cncc(-c2ccc(-c3ccc4c(c3)CCNC4=O)s2)c1
ir: 29 14 9 7 7 6 4 2 1 5 8 26 13 3 4 5 1 4 8 3 10 8 6 1 1 3 3 4 33 4 12 6 8 100 27 6 2 13 2 1 6 26 3 3 1 2 1 1 2 3 2 2 3 3 3 11 11 2 1 1 10 3 2 0 4 2 2 24 15 7 3 5 3 2 2 1 2 2 1 2 2 2 3 49 12 5 8 3 10 4 1 2 4 4 6 2 2 2 0 1 2 1 0 3 5 4 2 1 2 2 0 6 2 3 3 3 4 2 1 7 5 2 6 3 7 3 7 26 7 2 1 8 2 1 1 1 3 1 1 5 11 5 3 2 2 1 2 2 1 2 11 16 2 18 32 2 10 63 4 7 2 0 26 8 1 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 2 2 0 0 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 2 1 2 3 1 1 2 5 2 3 7 6 11 37 13 4 2 2 2 2 1 1 1 2 1 1 1 2 1 2 2 4 33 2 1 4 11 16 8 8 4 3 7 91 58 6 4 3 3 1 1 2 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 2 2 2 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 83 83 t 1H J 17 | 81 80 t 1H J 17 | 79 78 d 1H J 79 | 77 77 dd 1H J 21 80 | 76 76 t 1H J 17 | 75 74 dt 1H J 9 19 | 74 74 d 1H J 66 | 73 73 m 2H | 41 41 s 2H | 37 37 q 2H J 42 | 31 30 tdd 2H J 9 23 41
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1nn(Cc2ccc(C(=O)O)cc2F)c(CC)c1CC(=O)OC(C)(C)C
ir: 3 3 3 5 6 2 1 2 2 3 2 2 2 3 3 3 3 3 12 2 5 9 46 6 3 4 4 2 2 2 2 1 2 1 2 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 2 2 2 5 10 2 2 2 2 1 2 2 2 1 1 1 1 5 2 1 1 2 1 1 2 4 7 2 16 3 2 1 1 1 1 1 1 1 2 1 2 2 2 1 2 2 4 9 4 2 1 1 1 2 1 1 4 1 1 2 2 1 3 3 2 8 4 3 4 2 3 2 3 3 4 5 5 4 2 6 2 2 2 2 2 3 2 2 2 3 2 12 12 27 9 3 5 2 2 2 4 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 3 2 1 2 2 2 2 3 4 11 5 4 12 11 2 3 2 1 0 3 6 37 100 3 1 2 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 78 77 m 2H | 76 75 ddt 1H J 9 47 84 | 53 52 dd 2H J 8 39 | 38 37 s 2H | 27 26 m 4H | 15 14 s 8H | 13 12 t 3H J 70 | 12 11 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ncn(CC(=O)OC(C)(C)C)c1CN=[N+]=[N-]
ir: 16 9 1 7 9 9 8 8 20 23 12 35 15 7 2 5 6 9 4 6 8 5 3 6 4 3 5 16 12 5 5 5 6 1 1 4 6 12 20 7 3 1 2 3 2 1 2 5 4 3 4 4 4 1 4 5 3 1 3 5 10 6 13 11 7 5 4 4 12 13 14 9 15 8 6 5 3 4 3 5 3 4 5 3 2 1 3 3 1 2 3 5 3 3 7 9 16 10 9 5 4 6 22 30 19 9 24 13 3 3 4 4 2 10 20 17 2 8 21 17 16 14 7 5 4 5 14 26 13 10 18 13 6 9 6 3 2 3 3 3 27 22 10 21 64 100 9 19 17 4 3 1 1 9 4 1 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 2 3 1 0 2 3 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 3 3 1 5 3 2 0 1 2 2 0 1 2 2 0 1 2 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 2 1 0 2 2 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 3 4 7 6 4 2 7 6 7 5 4 3 6 3 13 17 24 18 7 6 3 2 3 3 2 1 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 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 0; 1HNMR: 74 73 d 1H J 9 | 47 47 d 2H J 9 | 45 45 s 2H | 24 24 s 3H | 15 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(C(O)CBr)c2sc(NC(=O)O)nc12
ir: 1 1 3 1 1 1 1 1 1 3 9 1 1 1 1 1 1 2 1 1 1 1 5 14 20 4 5 1 1 1 1 1 1 1 2 2 1 1 1 1 1 0 1 2 1 1 3 8 13 8 3 1 1 2 5 7 8 2 1 1 1 1 1 1 1 2 2 1 2 2 1 1 2 2 1 1 3 10 25 2 1 2 1 2 2 12 14 5 7 14 14 6 2 2 2 3 1 1 2 4 2 1 1 3 2 1 1 1 1 1 1 2 1 1 1 1 0 1 1 1 1 1 1 2 2 21 1 2 1 1 1 2 1 1 1 1 0 1 1 0 1 1 1 4 1 1 2 14 19 1 14 12 2 1 4 2 1 2 1 1 1 0 1 1 1 1 1 1 1 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 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 1 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 1 1 1 0 1 2 2 2 3 3 1 1 1 1 2 1 2 4 4 7 4 2 1 1 1 2 3 40 52 100 9 4 0 0 1 2 1 1 1 1 1 1 1 5 22 9 2 2 1 5 1 1 1 1 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 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 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; 1HNMR: 74 73 dd 1H J 7 86 | 71 70 d 1H J 86 | 53 52 m 1H | 42 42 d 1H J 42 | 40 39 s 3H | 38 37 dd 1H J 30 113 | 35 35 dd 1H J 30 113
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCc2ccc(OC/C=C\CCl)cc2N1
ir: 5 3 6 5 13 12 8 3 2 3 4 3 3 3 5 4 4 25 4 4 3 5 4 6 5 7 5 6 7 15 42 9 15 36 34 6 5 5 3 4 8 9 5 11 14 7 18 8 2 4 2 2 4 10 62 7 4 4 3 2 17 9 4 2 4 10 12 21 24 30 19 7 2 3 2 2 3 4 2 2 3 3 2 2 2 4 10 3 2 3 2 3 33 4 4 32 24 5 1 2 3 3 2 3 5 4 1 6 5 5 3 3 4 3 10 11 5 5 7 12 10 6 9 9 8 3 1 2 5 3 0 4 43 9 3 3 6 16 13 5 3 2 1 4 13 1 1 5 4 7 10 22 18 3 11 93 36 9 3 2 2 3 5 100 5 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 1 2 2 2 2 2 2 2 1 2 3 5 5 5 4 4 2 3 5 8 27 22 19 62 71 15 6 5 6 3 3 2 1 3 3 2 1 2 2 2 2 3 4 2 6 11 10 15 33 53 8 10 12 4 3 2 2 3 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2; 1HNMR: 91 90 s 1H | 70 69 dt 1H J 9 90 | 67 66 dd 1H J 22 88 | 65 65 d 1H J 22 | 58 57 dp 1H J 15 102 | 57 57 dtt 1H J 15 42 101 | 46 46 m 2H | 41 41 p 2H J 12 | 28 28 m 2H | 25 24 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1=C(c2ccsc2)C(=O)N(C(C)(C)C(=O)O)CO1
ir: 3 4 3 4 4 3 4 3 13 3 5 5 8 16 7 9 7 7 35 39 100 22 23 15 12 10 16 11 10 4 3 17 5 4 6 5 4 3 3 5 5 6 5 11 13 8 6 26 14 3 3 4 4 5 5 8 13 6 16 35 7 3 8 12 9 4 4 21 7 9 7 4 5 3 4 9 13 15 55 10 19 13 4 10 18 18 12 13 6 2 8 5 4 3 6 9 10 3 4 4 4 5 11 4 3 5 10 6 4 5 4 5 18 6 7 19 6 7 5 8 11 9 10 4 3 3 2 3 5 4 16 12 24 26 8 4 7 18 3 5 12 75 14 47 34 9 5 0 1 4 3 2 3 7 33 4 4 3 3 3 4 99 5 0 2 5 3 1 3 4 3 1 3 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 2 3 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 4 4 4 2 3 3 3 2 3 4 3 3 6 11 23 9 8 4 27 17 11 19 9 3 3 4 9 24 6 5 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 95 95 s 1H | 75 74 t 1H J 16 | 74 74 dd 1H J 18 59 | 71 71 dd 1H J 18 59 | 55 54 s 2H | 20 20 s 3H | 15 15 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCc1nc2c(N)nc3cc(/C=C/C(=O)OC)ccc3c2n1CC(C)C
ir: 8 6 13 3 4 5 4 5 4 3 6 2 3 4 8 4 5 5 6 7 14 9 12 15 10 9 8 12 10 6 15 17 8 7 8 8 1 2 6 9 6 19 9 3 11 0 3 8 4 1 3 5 6 23 17 10 8 7 5 18 17 6 6 3 4 7 11 21 8 9 5 25 9 19 11 9 4 11 6 13 6 4 1 1 1 2 1 4 7 3 4 4 5 10 5 10 3 3 4 4 3 9 8 10 100 77 15 30 35 71 33 22 9 6 3 5 10 7 38 43 30 32 9 10 9 4 10 8 8 8 10 9 4 3 3 5 5 3 2 4 8 5 9 15 22 11 6 7 12 3 10 21 43 4 9 2 1 1 5 4 1 1 1 1 2 1 17 18 24 4 1 1 0 0 1 1 0 2 3 1 1 0 0 0 0 0 1 1 0 1 0 1 0 1 1 0 0 0 1 1 0 0 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 1 0 1 1 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 2 8 16 3 4 4 15 4 15 4 16 11 28 20 21 47 94 78 41 31 46 32 7 4 3 3 1 1 2 2 2 2 2 2 30 27 4 2 2 1 1 11 25 2 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 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 1 0 0 0 1 0 0 0 1; 1HNMR: 81 81 d 1H J 22 | 81 80 d 1H J 84 | 78 77 m 1H | 77 76 dd 1H J 6 162 | 64 64 d 1H J 163 | 63 63 s 2H | 41 40 d 2H J 59 | 38 37 s 2H | 27 26 t 2H J 70 | 21 20 m 1H | 17 16 p 2H J 68 | 15 14 m 2H | 10 9 t 3H J 72 | 8 8 d 6H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(=N)c1ccc(Br)nc1
ir: 1 2 4 3 4 9 7 9 26 18 8 2 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 4 4 14 16 5 2 1 1 1 1 1 1 1 1 1 0 1 1 1 1 6 6 2 6 2 2 1 1 1 1 1 0 2 2 1 2 1 8 3 2 2 1 1 2 2 1 1 1 4 5 8 1 1 1 1 2 6 2 17 18 17 4 1 2 2 2 2 10 14 3 1 1 1 3 3 1 1 1 1 1 2 3 2 1 1 2 1 1 1 1 2 2 0 1 3 2 1 5 8 34 100 35 0 2 2 0 0 2 2 0 0 1 1 0 1 13 16 1 1 2 2 0 1 4 4 1 1 1 1 1 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 3 1 2 9 4 3 2 3 1 1 1 1 1 1 1 1 1 1 1 39 57 3 0 0 1 1 0 0 1 1 0 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 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 90 90 s 1H | 86 86 d 1H J 19 | 77 77 dd 1H J 20 82 | 73 72 d 1H J 82 | 43 43 q 2H J 71 | 14 13 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)C(=O)Nc1ccc(Cl)c(Cl)c1
ir: 8 6 2 6 7 6 2 7 8 3 2 4 6 3 7 7 8 6 3 12 5 3 3 4 5 6 6 7 6 6 3 5 5 3 7 5 4 3 6 11 56 20 42 21 8 19 5 11 11 4 14 92 26 20 10 39 5 5 12 7 3 0 4 7 12 2 6 6 7 0 7 12 4 2 4 5 5 2 5 5 2 2 5 5 2 2 4 5 2 2 5 5 5 7 10 4 2 3 5 5 2 3 8 9 4 12 14 4 4 6 5 3 1 3 7 5 5 5 6 7 18 34 9 24 8 8 6 4 4 13 11 4 3 5 6 3 25 9 4 3 9 9 5 4 27 17 13 45 8 7 14 29 43 28 73 7 5 9 17 93 4 28 10 1 4 7 4 0 3 7 3 0 3 6 3 0 3 6 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 4 4 2 2 4 4 2 2 4 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 3 3 7 5 2 4 7 6 2 4 9 19 7 7 100 16 6 5 8 3 2 5 5 3 2 4 5 3 1 4 5 3 4 5 7 6 8 14 31 46 15 8 9 8 6 6 6 3 3 5 4 2 3 4 4 2 3 4 3 2 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 1 3 4 3 1; 1HNMR: 95 95 s 1H | 81 80 s 1H | 79 78 dd 1H J 15 68 | 77 77 d 1H J 21 | 76 75 m 2H | 74 73 d 1H J 79 | 73 73 dd 1H J 22 81 | 54 54 m 1H | 47 46 d 2H J 8 | 31 30 s 2H | 29 28 m 1H | 26 25 m 2H | 21 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
[N-]=[N+]=NCc1cccc2scnc12
ir: 2 3 3 2 2 5 4 2 6 4 6 6 6 6 9 9 5 3 4 3 3 3 3 1 4 7 10 7 4 3 2 1 2 1 1 6 1 3 3 0 12 13 13 10 19 61 8 11 9 3 3 4 7 16 22 33 18 3 5 5 3 1 3 5 2 4 6 15 6 15 18 23 8 14 13 6 6 6 2 1 7 4 2 2 1 1 1 1 1 1 3 2 1 3 42 58 23 9 7 7 6 3 3 4 3 10 7 4 2 5 5 9 8 5 4 4 4 2 1 2 1 2 1 1 1 2 1 2 3 4 2 2 1 2 1 3 12 21 30 32 59 25 6 5 2 2 1 3 27 9 1 1 1 1 1 4 3 17 26 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 3 4 5 41 47 5 4 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 1 3 1 2 2 1 3 6 3 54 57 100 17 12 6 2 3 1 2 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 92 s 1H | 79 78 dd 1H J 12 76 | 74 74 dq 1H J 10 76 | 74 73 t 1H J 76 | 44 43 d 2H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](C1CC1)n1cc(Cl)nc(Cl)c1=O
ir: 11 6 2 11 9 5 4 16 15 5 1 5 11 10 20 16 27 5 2 6 9 19 3 6 6 3 2 5 6 2 2 6 6 2 3 7 14 4 8 9 6 5 15 19 10 57 52 12 5 2 4 7 6 1 4 8 5 7 11 8 4 15 28 11 4 1 4 13 6 2 7 9 4 2 8 9 4 3 16 9 4 3 6 6 2 3 10 15 5 3 8 8 0 59 52 17 32 11 12 9 2 4 7 6 3 8 12 12 3 5 7 5 1 5 8 5 1 10 16 9 9 6 8 6 8 7 8 3 7 8 10 3 0 100 94 14 7 4 4 4 4 5 5 3 4 6 6 4 8 11 17 11 67 13 6 3 4 5 5 4 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 3 2 4 6 3 2 4 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 5 4 2 3 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 6 4 2 4 5 3 2 4 5 3 2 5 5 3 2 5 5 3 3 5 5 3 3 5 5 2 3 5 5 3 3 5 5 3 4 6 5 3 5 12 8 3 5 8 10 27 18 15 12 5 13 10 7 36 42 22 10 5 5 5 4 3 5 6 4 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 4 2 3 5 4 2 3 5 4 2 4 5 4 2 4 6 4 2 4 5 4 2 4 5 3 2 4 5 3 3 4 5 3 3 4 5 3 3 4 5 3 3 5 5 3 3 5 5 3 3 5 4 3 3 5 4 3 3 5 4 2 3 5 4 2 4 5 4 2 4 5 4 2; 1HNMR: 65 64 d 1H J 18 | 42 41 dtt 1H J 15 53 70 | 18 16 m 2H | 16 15 dqd 1H J 54 75 119 | 9 9 td 3H J 15 75 | 6 5 m 2H | 4 3 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)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(C=O)cn1
ir: 20 27 9 9 9 4 2 4 6 5 12 5 18 7 4 15 6 6 4 3 4 2 2 4 9 6 8 19 15 10 7 12 5 2 3 6 18 26 7 10 7 5 3 4 3 3 3 11 5 2 4 6 20 36 26 100 25 4 9 6 3 4 8 5 10 2 18 3 4 15 28 8 2 0 3 4 2 1 4 4 1 2 13 4 2 7 12 5 3 11 18 5 3 4 4 4 8 8 42 40 30 8 6 12 13 10 7 3 0 3 8 7 55 21 6 4 3 6 8 7 7 13 12 38 14 10 43 36 27 10 8 9 7 5 5 2 6 13 63 7 2 4 4 2 2 5 7 5 44 25 16 85 4 10 4 2 3 3 3 2 3 5 35 3 2 5 3 0 2 4 2 0 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 2 2 3 3 1 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 4 2 1 2 4 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 2 2 3 2 1 2 3 3 3 9 8 4 1 3 4 3 2 3 4 4 8 7 20 25 11 26 93 46 21 12 8 5 2 3 4 3 1 3 4 2 1 3 3 2 1 3 3 1 1 3 3 2 2 3 3 1 1 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 88 88 d 1H J 18 | 80 80 dd 1H J 20 78 | 76 75 dq 2H J 14 76 | 75 74 dt 3H J 9 73 | 74 73 d 1H J 78 | 53 53 d 2H J 9 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@H](C)C(C)C)c(F)c1
ir: 1 2 4 5 2 2 3 2 1 2 3 2 1 3 3 2 2 4 4 2 2 2 2 2 1 3 3 5 2 4 3 4 7 9 6 3 3 3 3 2 3 5 6 4 3 16 3 1 2 12 2 1 2 6 5 3 3 3 2 2 7 6 10 3 9 13 38 49 22 39 9 12 6 6 2 2 7 20 4 1 3 3 3 3 4 3 1 1 2 2 1 2 9 4 2 3 3 3 2 5 3 3 7 9 7 11 9 11 9 19 20 12 24 19 8 10 8 12 11 8 19 7 9 11 14 10 8 9 8 7 8 20 6 2 2 2 3 3 0 2 3 8 3 3 3 6 3 3 3 1 1 2 2 1 3 12 4 2 6 41 10 1 1 2 2 0 1 9 15 3 22 3 1 1 2 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 8 5 5 9 6 5 4 5 5 3 8 18 13 35 45 12 17 100 40 17 4 1 2 3 3 1 2 3 1 2 2 3 2 1 3 5 3 17 4 3 4 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 85 85 s 1H | 67 66 m 2H | 65 64 d 1H J 75 | 41 40 t 2H J 63 | 38 37 dddt 1H J 15 51 77 92 | 36 35 t 2H J 64 | 33 33 s 2H | 21 20 p 2H J 64 | 17 16 m 1H | 12 11 dd 3H J 15 63 | 9 9 dd 3H J 14 68 | 9 8 dd 3H J 16 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)N1CCC(N2C(=O)COc3ccc(Cl)cc32)CC1
ir: 5 4 4 3 4 8 5 4 6 11 29 12 10 4 6 4 6 3 3 3 2 20 2 2 2 3 6 4 2 1 1 4 3 3 7 4 2 2 3 3 2 1 3 2 2 1 1 2 1 1 2 2 3 35 27 2 4 10 4 4 2 5 2 2 3 8 13 7 2 1 5 4 3 3 2 3 3 2 1 3 1 2 4 3 1 5 6 2 1 1 2 2 4 3 2 2 1 2 2 3 2 2 2 2 6 4 6 5 2 2 4 6 4 7 8 3 3 5 6 17 17 22 8 8 6 4 3 8 6 11 10 8 4 5 4 7 4 2 2 3 4 4 1 3 17 14 5 13 37 2 10 100 2 12 9 0 1 3 2 0 1 3 7 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 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 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 3 3 2 2 3 4 5 5 2 6 4 3 5 13 37 9 7 28 7 16 9 8 3 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 74 73 d 1H J 21 | 73 72 dd 1H J 22 90 | 68 68 d 1H J 90 | 47 47 s 2H | 44 43 p 1H J 60 | 38 37 ddd 2H J 54 81 123 | 34 33 ddd 2H J 53 81 123 | 23 22 m 2H | 20 19 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1ccc(-c2cncc(CN3CCN(c4ncccn4)CC3)c2)cc1
ir: 3 2 2 3 1 2 3 3 4 4 4 3 6 5 4 4 17 9 5 3 1 1 2 1 2 5 4 15 8 6 7 13 25 18 21 8 3 2 2 1 2 2 1 5 3 3 2 1 3 1 9 17 30 57 62 40 38 3 20 14 12 16 5 8 5 6 7 12 14 8 3 4 4 18 10 6 15 13 32 28 21 14 1 2 12 9 7 8 6 5 2 6 2 2 3 6 3 5 5 9 6 7 6 5 7 6 6 2 5 2 6 9 41 10 10 3 5 5 2 8 8 8 13 15 18 20 34 21 30 11 6 10 10 10 8 6 3 4 13 23 9 8 5 9 35 72 69 15 17 9 11 23 26 79 100 74 43 30 7 4 2 1 1 3 3 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 2 2 2 2 3 2 1 2 4 3 2 6 12 35 44 73 13 8 4 3 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1; 1HNMR: 86 86 m 2H | 84 83 d 2H J 44 | 78 78 tt 1H J 9 17 | 76 75 m 2H | 72 71 m 2H | 65 65 t 1H J 45 | 38 37 m 6H | 31 30 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cnc(-c2ccccc2)[nH]1
ir: 10 15 1 7 11 10 3 12 14 5 1 7 13 7 0 30 12 38 7 7 9 3 2 7 8 3 2 8 11 14 6 18 16 4 3 10 9 2 8 100 84 79 88 8 14 5 7 8 9 2 5 9 5 1 5 10 5 1 5 10 5 2 7 14 8 1 7 15 7 8 7 9 4 3 15 14 10 10 10 13 4 3 7 8 3 3 7 7 3 4 8 9 10 9 8 7 4 7 16 17 10 6 11 6 1 4 10 6 0 5 10 5 1 5 11 5 0 6 10 6 1 7 13 7 6 24 24 17 8 7 9 4 4 8 11 3 2 8 15 19 13 29 58 72 45 26 10 17 28 14 11 6 6 9 8 6 7 8 6 3 5 9 16 1 4 8 5 1 5 9 5 1 5 9 5 1 5 8 4 2 5 8 4 2 6 8 4 2 6 7 4 2 6 7 3 3 7 7 3 3 7 7 3 3 7 6 3 4 7 6 2 4 8 6 2 4 8 6 2 4 8 5 2 5 8 5 2 5 9 5 2 5 8 5 2 5 8 4 2 6 8 4 2 6 7 4 3 6 7 4 3 6 7 4 3 7 7 3 4 7 6 3 4 7 6 3 4 7 6 3 5 7 6 3 5 8 6 4 5 8 7 5 8 9 9 14 51 93 83 8 9 13 6 2 7 9 4 2 7 9 4 2 7 9 5 3 10 13 9 12 11 21 38 20 63 31 29 13 13 9 3 4 8 6 3 4 7 6 3 4 7 6 2 4 8 5 2 5 8 5 2 5 8 5 2 5 8 5 2 5 8 4 2 5 7 4 3 6 7 4 3 6 7 4 3 6 7 4 3 6 6 3 3 6 6 3 4 7 6 3 4 7 6 3 4 7 5 3 4 7 5 2 4 7 5 2 5 8 5 2; 1HNMR: 84 84 m 2H | 76 75 m 4H | 73 73 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.
C=CCOC(=O)N1C[C@@H](SC(c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1CC(N)=S
ir: 3 3 4 4 4 1 0 1 2 1 1 4 2 2 3 2 1 2 4 10 8 1 2 2 3 2 3 2 3 2 2 7 8 29 6 9 7 2 4 2 12 42 4 2 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 0 1 3 1 2 5 1 2 8 4 4 6 2 2 2 1 2 2 2 1 4 2 2 1 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 4 4 4 3 1 2 2 2 1 2 3 5 2 3 4 2 2 2 2 5 3 2 2 2 2 3 4 2 1 1 2 4 6 3 4 17 7 4 3 1 1 2 3 2 6 5 2 2 2 0 7 6 1 13 3 1 2 5 21 100 15 0 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 5 2 3 2 2 2 12 23 11 4 3 2 2 2 1 1 1 1 1 1 1 2 1 2 3 36 5 2 1 1 2 2 1 3 3 4 2 4 20 36 6 4 9 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 s 1H | 73 72 m 16H | 60 59 ddt 1H J 60 119 175 | 53 53 ddt 1H J 13 25 170 | 53 52 m 1H | 47 46 dt 2H J 13 61 | 45 44 m 1H | 40 39 dd 1H J 14 103 | 38 38 tdd 1H J 10 26 49 | 38 37 ddd 1H J 17 33 107 | 31 30 dd 1H J 66 150 | 29 28 dd 1H J 64 150 | 24 23 ddd 1H J 40 49 118 | 21 20 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1nnc(C(F)F)cc1CO
ir: 6 5 1 2 2 2 2 5 3 3 4 2 3 1 3 3 3 3 6 3 5 2 5 7 10 5 1 2 2 1 1 2 2 1 2 4 17 11 2 4 4 2 2 2 2 0 1 2 2 0 1 3 2 2 2 3 3 2 2 2 3 2 4 6 4 1 6 19 9 8 8 6 4 3 5 3 2 3 3 2 3 2 2 10 6 16 11 22 25 22 15 11 11 5 7 4 1 2 2 2 1 1 4 3 2 2 1 1 0 1 2 1 1 5 5 2 2 4 5 2 1 1 2 1 1 2 3 2 1 2 2 1 22 12 2 1 0 1 1 1 0 2 2 0 11 2 5 6 3 2 1 0 1 1 1 0 1 1 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 2 2 2 2 2 2 3 3 2 1 2 2 2 2 2 4 3 4 4 8 8 4 8 16 6 6 6 14 12 16 63 100 38 6 10 7 3 3 4 4 2 1 3 3 3 5 3 3 2 2 2 2 1 2 2 2 1 1 3 2 1 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 76 tq 1H J 8 26 | 69 69 s 0H | 48 47 dd 2H J 9 62 | 40 40 s 3H | 36 35 t 1H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1Cl)OC
ir: 5 6 8 5 6 7 25 27 7 3 4 3 7 10 4 4 3 1 3 17 2 2 2 3 5 2 1 1 3 4 28 7 6 4 3 4 6 6 12 78 35 35 4 4 4 0 1 3 1 0 1 5 6 11 21 17 8 3 4 2 2 3 4 14 5 17 9 24 20 20 7 6 12 5 5 11 7 1 6 4 3 5 7 4 2 0 1 5 21 14 6 4 7 6 30 30 18 11 4 2 1 1 1 2 1 1 3 5 13 7 3 5 2 3 4 2 2 3 8 5 13 8 9 8 4 4 2 2 3 3 4 8 8 3 23 23 30 2 4 1 2 9 32 28 61 2 3 2 6 15 9 16 25 14 2 1 1 1 1 1 4 7 2 1 1 0 1 1 0 0 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 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 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 1 1 1 1 1 1 4 2 2 3 3 7 7 1 2 3 7 3 6 14 38 18 46 100 47 16 8 4 2 2 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 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 74 73 m 4H | 73 73 m 1H | 71 70 dt 1H J 9 88 | 68 68 d 1H J 22 | 68 67 dd 1H J 21 89 | 51 50 d 2H J 9 | 42 41 m 3H | 34 34 d 3H J 15 | 33 32 ddd 1H J 8 74 159 | 30 30 ddd 1H J 8 74 159 | 11 10 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSC(Nc1cc(Cl)cc(Cl)c1)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1
ir: 11 24 14 18 14 13 14 14 19 22 14 15 53 26 14 13 21 11 11 12 12 26 13 17 14 16 20 23 35 29 17 16 46 29 14 19 31 16 16 22 18 18 14 22 12 11 13 12 11 11 11 10 14 24 100 23 13 12 11 13 14 18 14 15 18 58 17 42 20 32 14 12 11 10 11 11 11 11 11 46 12 11 19 94 18 28 16 18 95 15 13 18 62 18 12 38 11 11 12 14 11 10 11 11 9 10 13 15 51 20 10 12 12 12 14 16 26 15 13 11 12 15 16 27 11 24 13 11 10 11 11 11 11 11 10 14 15 28 13 11 10 11 12 13 11 16 20 12 14 13 14 19 19 24 14 12 11 11 18 12 14 16 34 13 11 11 11 10 11 11 11 11 10 10 11 12 11 10 11 12 9 0 48 7 11 12 10 9 11 12 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 11 11 11 10 10 11 11 10 10 12 11 10 11 13 11 10 13 12 19 18 19 63 36 33 19 12 14 13 11 11 11 12 10 10 11 11 11 11 13 13 12 17 14 16 27 42 27 16 12 14 12 11 12 11 10 11 11 11 11 10 11 11 10 10 11 11 10 11 11 11 10 10 11 10 10 10 11 10 10 10 11 10 10 10 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 11 10 10 11 10 10 10 11 10 10 10 11 10 10; 1HNMR: 82 82 s 1H | 79 79 m 2H | 76 75 m 2H | 72 71 t 1H J 22 | 71 71 d 2H J 22 | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc(F)cn1N
ir: 8 4 5 9 15 19 3 2 1 2 3 2 3 2 2 1 1 1 2 4 2 2 3 2 38 25 4 1 3 4 17 3 2 2 2 2 2 6 6 5 3 2 8 1 7 10 12 5 9 23 52 47 22 18 12 10 5 4 8 5 6 6 5 3 4 19 15 8 3 3 3 3 16 20 13 8 4 6 3 5 3 3 6 3 3 2 16 8 3 2 3 3 1 1 2 2 2 19 17 2 4 2 2 12 5 4 5 25 5 2 0 1 2 2 2 5 13 4 2 3 4 2 1 2 2 2 2 4 2 3 2 5 5 17 38 39 16 3 1 3 5 14 22 14 12 29 4 5 2 3 2 2 2 0 7 80 5 1 1 7 4 1 1 1 1 1 1 1 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 2 2 1 2 2 2 1 1 2 1 1 1 2 1 1 5 3 2 1 4 15 38 31 2 1 2 2 2 4 2 2 4 2 2 2 2 5 88 15 3 1 2 2 1 1 2 2 3 100 36 2 2 2 1 1 2 1 1 1 2 2 1 1 2 1 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 72 71 m 2H | 62 62 s 2H | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(COC(=O)N2CCC[C@H]2C(=O)N[C@H](CO)C(C)C)cc1
ir: 10 18 8 11 10 29 11 17 9 19 10 10 9 13 29 29 19 14 10 5 8 6 6 8 8 9 9 11 8 10 5 8 7 9 8 8 8 12 8 9 35 31 13 13 25 23 9 4 5 7 9 11 25 18 7 5 11 4 5 6 3 3 5 8 5 3 6 6 6 14 8 8 4 3 3 2 3 2 4 3 5 5 3 4 4 4 7 5 7 11 11 20 19 28 64 28 42 21 0 10 2 6 5 8 9 10 12 10 9 16 12 8 5 6 4 8 7 8 8 3 7 9 7 6 10 7 8 7 6 3 6 17 68 4 4 5 3 3 2 2 3 2 2 7 9 15 26 100 38 18 53 33 5 5 4 2 3 3 2 2 2 3 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 3 2 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 5 5 3 4 4 4 4 4 4 4 3 4 8 19 22 16 13 26 19 13 23 36 64 22 30 21 6 2 3 3 2 3 3 2 4 3 4 3 7 4 31 25 21 51 12 17 9 5 2 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 dt 2H J 9 79 | 72 71 dq 2H J 8 76 | 70 70 d 1H J 98 | 52 52 d 2H J 9 | 43 42 ddt 1H J 17 35 53 | 38 37 dt 1H J 48 117 | 36 36 ddd 1H J 34 51 122 | 35 35 m 2H | 34 34 t 1H J 50 | 34 33 ddtq 1H J 15 31 64 97 | 24 23 m 1H | 23 23 s 3H | 22 21 ddt 1H J 54 69 129 | 20 19 ddtd 1H J 34 52 70 123 | 19 18 m 2H | 9 9 dd 3H J 15 61 | 9 9 dd 3H J 15 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1[nH]c(=O)c2c(o1)C(c1cc(F)cc(F)c1)COC2
ir: 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 2 1 2 2 0 0 0 0 0 2 8 1 0 2 1 4 8 1 0 1 0 0 0 0 0 3 2 0 0 1 0 0 1 9 2 1 6 26 17 61 4 9 4 3 5 0 1 3 2 23 17 5 6 2 1 1 2 2 5 2 1 1 0 0 0 0 0 0 4 0 0 0 0 1 1 2 8 3 2 2 5 3 3 1 0 0 0 0 0 0 1 0 0 0 0 1 2 0 0 2 3 4 3 3 2 1 3 2 2 7 1 2 1 1 0 0 0 0 0 0 0 1 3 0 0 4 3 1 0 0 0 0 1 2 21 11 1 2 1 0 1 1 5 8 2 3 100 10 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 1 1 1 1 1 1 1 5 6 14 5 7 5 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 18 5 38 9 1 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 70 69 m 3H | 45 44 dd 1H J 9 148 | 44 43 dd 1H J 7 145 | 42 41 m 1H | 39 39 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1CCN(CCCN2C(=O)COc3cc(N)ccc32)CC1
ir: 14 15 9 21 38 11 13 28 13 8 12 8 8 8 12 8 5 4 7 5 8 20 6 6 7 8 13 10 41 15 7 6 4 6 6 8 5 5 6 10 7 10 8 6 5 5 6 5 5 4 6 5 5 7 16 18 19 13 6 5 4 5 5 9 9 14 25 48 8 10 14 6 6 5 5 6 7 6 7 23 36 19 5 6 6 25 6 5 5 6 5 6 5 4 5 8 5 7 13 16 12 11 8 5 5 6 7 8 13 8 5 5 5 5 5 4 5 5 8 6 13 9 9 6 7 11 7 7 4 6 7 5 4 5 5 4 4 4 5 5 5 4 4 4 5 5 5 5 4 8 32 10 6 6 22 12 100 94 16 5 6 6 6 0 36 2 4 5 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 5 4 5 6 6 4 5 4 5 5 5 5 8 19 5 8 27 7 9 5 6 4 4 4 4 4 4 4 4 4 4 4 4 5 52 35 9 5 4 4 4 4 4 5 6 5 81 29 8 6 7 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 73 72 d 1H J 86 | 68 67 dd 1H J 22 86 | 63 63 d 1H J 21 | 55 54 s 2H | 48 47 s 2H | 41 41 t 2H J 67 | 26 25 m 6H | 24 23 m 7H | 19 18 p 2H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(c2cccc(-c3cccnc3)c2)=Nc2cc(C(F)(F)F)c(Cl)cc2N1
ir: 2 2 9 5 3 4 2 2 4 3 7 7 3 1 2 2 2 1 2 2 5 23 5 3 2 2 11 3 4 4 3 21 19 69 4 7 15 10 2 4 3 4 2 1 2 7 4 12 48 2 1 10 6 2 1 1 4 1 2 2 2 2 7 7 4 2 3 15 100 23 4 0 2 12 1 1 3 10 5 2 2 2 1 1 1 1 1 2 2 1 1 1 1 1 3 7 3 3 4 32 4 22 3 2 4 5 0 1 2 1 2 25 7 11 2 3 7 5 15 3 2 16 10 4 4 5 4 6 5 4 3 6 15 20 5 3 2 4 10 10 9 4 4 11 11 1 2 1 2 2 2 13 1 5 6 49 68 1 3 4 2 1 2 2 7 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 4 2 2 1 2 2 3 1 11 12 13 48 45 8 3 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 5 6 11 8 11 6 2 6 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 95 94 s 1H | 89 89 d 1H J 20 | 87 86 dd 1H J 18 48 | 79 79 m 2H | 79 78 s 1H | 78 77 ddd 1H J 13 22 73 | 77 76 q 1H J 21 | 76 76 ddd 1H J 12 21 82 | 75 74 dd 1H J 72 83 | 74 73 dd 1H J 47 76 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCOc1ccc2c(c1)[C@@H](O)C=C2c1ccc2c(c1)OCO2
ir: 2 3 4 1 2 1 1 2 1 1 4 2 1 1 2 3 2 3 5 2 2 2 2 3 1 1 2 1 2 3 1 1 1 0 1 4 1 1 1 1 3 2 1 1 1 0 1 1 1 1 2 3 3 16 44 19 6 10 3 11 6 7 10 3 12 30 17 20 17 53 7 4 1 7 4 1 2 1 1 1 3 11 52 8 25 15 6 17 30 15 5 2 2 2 2 1 1 1 3 2 2 1 0 1 2 1 1 1 1 4 3 2 3 2 1 1 3 2 6 8 6 9 4 4 2 2 4 2 1 2 3 4 2 1 1 1 0 0 1 2 2 8 7 3 0 1 1 1 6 5 24 8 8 7 7 8 1 1 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 1 1 1 1 2 3 1 1 1 3 2 1 3 3 8 2 31 100 34 21 3 1 1 2 0 42 18 1 1 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 d 1H J 82 | 72 72 dd 1H J 20 82 | 72 71 m 1H | 70 70 m 2H | 70 69 d 1H J 83 | 69 68 dd 1H J 22 82 | 61 60 d 1H J 22 | 60 60 d 1H J 20 | 56 55 m 1H | 40 39 t 2H J 54 | 35 34 d 1H J 49 | 19 18 qt 2H J 53 78 | 11 11 t 3H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(Nc2ccc(Cl)cn2)c1
ir: 12 6 9 33 19 13 8 3 3 3 3 2 4 3 4 9 8 2 3 2 5 4 17 26 23 5 7 15 4 6 12 22 12 25 21 18 13 18 4 2 3 5 3 0 1 4 6 6 10 11 5 2 50 26 22 11 3 0 1 3 2 2 3 9 2 7 23 42 12 14 4 3 1 1 2 5 4 2 5 4 5 5 3 2 2 3 2 2 1 2 4 9 1 2 2 3 8 4 14 6 3 2 3 3 2 10 13 14 3 2 2 2 2 2 1 5 10 6 8 4 1 2 2 2 5 3 5 3 2 2 2 1 1 1 2 3 5 5 27 25 19 12 20 8 3 5 8 4 4 32 10 9 16 12 27 1 1 3 4 11 25 5 4 4 12 7 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 2 1 1 1 1 2 1 1 2 2 1 1 2 5 6 5 12 43 40 20 7 1 3 2 3 2 2 1 1 1 2 2 2 2 2 3 2 1 2 5 13 100 67 15 4 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 93 93 s 1H | 81 81 d 1H J 19 | 78 78 ddd 1H J 12 21 77 | 77 77 t 1H J 22 | 76 76 ddd 1H J 11 21 79 | 76 75 dd 1H J 20 79 | 74 74 t 1H J 78 | 73 73 d 1H J 78 | 39 39 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1C(=O)O
ir: 3 2 2 2 1 2 2 2 1 2 3 2 2 4 3 2 3 4 6 4 0 28 100 21 6 2 2 3 3 1 1 3 2 3 2 2 2 1 6 8 3 4 11 8 6 2 2 3 3 1 1 2 1 1 1 2 1 1 1 3 2 1 2 3 2 1 2 2 1 1 2 2 2 1 3 9 2 0 6 57 6 4 1 1 2 2 2 2 4 2 2 2 2 1 2 1 1 1 2 2 2 1 2 2 1 2 3 2 4 7 3 4 4 3 3 3 4 3 4 4 3 2 5 13 9 6 3 2 1 2 2 2 2 2 2 5 5 3 2 7 3 4 3 40 11 8 7 20 5 2 2 2 1 2 2 2 1 2 1 1 1 3 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 4 3 2 2 2 2 2 3 5 7 3 7 37 4 2 1 3 1 1 2 3 4 48 4 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 dd 1H J 15 79 | 77 76 td 1H J 15 79 | 76 75 m 2H | 34 34 dd 2H J 66 115 | 32 31 dd 2H J 65 115 | 19 18 tddd 2H J 15 48 65 80 | 15 11 m 17H | 9 8 m 11H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1
ir: 2 1 4 2 0 0 0 1 1 2 9 52 3 8 16 7 3 1 2 1 0 1 3 2 0 1 2 8 1 1 1 2 4 3 4 0 2 2 1 1 3 10 47 5 3 4 3 23 26 3 5 2 3 17 17 5 4 1 3 2 1 0 1 3 1 1 1 4 2 2 3 1 4 10 13 5 1 1 1 1 0 1 2 3 12 56 63 7 1 4 10 4 0 1 2 1 3 4 4 4 4 5 4 4 2 8 21 15 9 10 4 2 2 4 4 7 68 9 2 5 2 6 4 3 1 1 2 2 4 3 3 1 3 5 6 20 29 3 6 19 7 4 1 1 16 57 7 9 24 78 8 3 2 2 2 7 30 36 9 3 1 1 1 0 0 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 2 2 1 1 1 1 3 3 2 9 11 11 18 100 52 21 8 4 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 81 d 1H J 35 | 81 81 m 2H | 78 78 m 1H | 78 77 m 1H | 76 75 td 1H J 12 79 | 74 74 m 1H | 70 70 d 1H J 75 | 49 49 p 1H J 47 | 38 37 ddd 2H J 62 88 139 | 36 35 ddd 2H J 61 88 139 | 24 23 dddd 2H J 47 61 88 128 | 22 21 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC[C@H](Cc1ccccc1)Nc1nnc(-c2ccc3cnccc3c2)s1
ir: 1 1 1 2 5 3 2 3 1 3 4 11 2 4 2 1 1 1 3 2 5 1 5 6 31 5 3 2 1 3 3 6 10 2 3 5 2 4 8 33 18 24 14 28 8 20 8 12 21 8 26 15 9 17 33 9 5 7 6 5 4 10 5 4 1 1 2 13 8 4 4 4 18 14 28 33 7 5 10 1 3 4 19 4 4 5 4 4 9 26 3 3 3 15 2 2 8 6 4 3 3 3 2 20 7 2 2 4 25 9 18 15 8 58 4 2 3 2 2 4 25 11 5 9 6 3 1 10 6 6 42 49 22 9 6 34 13 2 1 2 3 2 10 34 9 3 2 5 2 1 1 1 2 2 4 6 1 0 1 2 1 1 1 1 1 1 1 4 12 1 1 1 1 1 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 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 2 3 2 2 9 12 13 41 19 12 3 3 3 2 3 2 3 2 2 4 7 14 25 11 8 3 9 100 31 38 16 2 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 91 t 1H J 15 | 87 86 dd 1H J 14 46 | 84 84 t 1H J 22 | 81 81 dd 1H J 22 90 | 80 80 dd 1H J 19 91 | 78 78 dd 1H J 22 44 | 73 73 m 2H | 73 72 m 1H | 72 71 m 2H | 61 61 d 1H J 75 | 41 40 dddd 1H J 37 59 74 95 | 31 30 ddt 1H J 9 59 143 | 30 29 dtd 1H J 37 58 117 | 28 27 m 2H | 16 16 t 2H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)c1c(OCc2ccccc2)c2ncccc2n(Cc2ccccc2)c1=O
ir: 1 2 1 1 2 2 2 2 3 3 1 4 15 7 4 2 3 2 3 3 2 6 6 76 53 7 0 5 5 2 3 6 8 2 2 3 3 5 6 31 11 7 3 1 7 2 2 2 2 7 12 3 2 2 2 1 2 2 2 1 1 2 4 4 5 6 6 3 5 4 3 1 2 2 3 4 15 8 14 2 2 2 7 3 2 2 1 2 2 10 7 3 1 2 1 2 2 2 2 3 2 1 1 2 2 1 1 1 4 2 1 1 1 1 3 1 1 1 1 2 3 3 2 2 2 1 2 6 8 3 2 1 2 3 7 12 3 36 9 3 5 26 19 11 4 7 7 2 2 1 13 3 3 3 2 1 5 3 4 1 1 2 6 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 1 2 2 1 1 1 2 2 2 2 4 10 17 100 40 7 5 2 2 1 2 2 6 41 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 dd 1H J 21 45 | 78 78 dd 1H J 20 75 | 75 74 dd 1H J 45 74 | 74 72 m 11H | 54 54 m 2H | 53 53 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C=O)c(C(=O)c2ccnc(Cl)c2)cc1OC
ir: 1 2 3 3 11 5 5 5 1 6 5 9 6 13 5 16 6 4 2 4 6 8 7 10 7 5 4 7 3 7 13 35 17 15 7 7 4 10 12 14 15 10 24 14 7 1 9 3 18 5 4 1 3 2 2 3 8 53 37 46 16 7 7 13 14 70 59 50 52 29 11 6 11 27 29 10 3 2 5 4 2 4 6 10 12 2 1 1 2 2 7 7 3 3 9 3 3 3 6 5 2 2 6 15 4 18 8 4 7 39 6 3 3 2 3 11 8 11 18 6 5 3 6 20 23 46 9 11 5 4 3 4 29 17 3 2 7 24 41 8 10 16 4 61 32 5 3 18 19 57 11 5 4 2 3 3 3 0 1 6 11 36 4 2 14 1 1 2 1 0 1 1 1 1 2 3 2 0 1 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 2 3 4 2 1 2 1 1 1 1 1 1 2 3 3 2 7 8 41 100 47 22 6 3 3 3 1 1 2 2 1 1 1 2 1 0 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 85 85 d 1H J 46 | 77 77 dd 1H J 20 46 | 77 77 d 1H J 22 | 74 74 s 1H | 73 73 s 1H | 39 39 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCCN(c2nc(Nc3cc(OC)c(OC)c(OC)c3)ncc2C)C1
ir: 5 4 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 2 4 2 1 1 5 3 4 3 2 2 2 2 1 1 2 6 12 35 39 12 8 2 1 1 2 1 0 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 2 1 2 4 6 1 2 3 1 2 2 1 1 2 1 1 2 0 0 0 1 2 1 1 1 1 0 1 1 1 0 2 3 3 1 2 1 1 1 7 5 1 0 1 1 2 4 2 2 2 1 2 1 1 0 2 3 1 1 1 1 1 2 1 2 1 2 1 1 0 0 1 1 5 2 1 1 1 2 2 3 3 0 10 24 100 4 1 1 1 1 0 1 23 6 2 1 1 1 2 18 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 1 0 1 0 1 1 1 0 1 0 1 1 1 6 5 3 2 2 4 1 1 1 1 0 0 0 1 1 1 0 1 1 1 2 2 1 1 0 1 1 1 2 3 16 12 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 84 s 1H | 79 79 d 1H J 8 | 71 70 s 2H | 42 41 m 2H | 40 40 dd 1H J 61 131 | 39 38 s 3H | 38 38 s 5H | 38 37 dd 1H J 62 130 | 37 35 m 2H | 29 28 m 1H | 23 23 d 3H J 7 | 22 21 m 1H | 20 19 m 1H | 19 18 m 2H | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1F
ir: 0 1 1 2 1 2 5 2 3 2 1 1 0 1 1 1 0 1 1 1 1 1 3 2 1 1 2 2 3 3 1 1 0 1 1 1 4 19 1 4 3 1 1 1 1 3 1 1 4 10 3 1 7 50 10 4 3 2 3 7 2 1 1 1 1 4 19 14 11 9 5 4 30 23 3 9 5 4 1 4 6 2 1 0 1 4 1 2 4 2 2 1 1 1 6 2 2 4 17 11 2 1 3 12 4 1 0 1 1 0 1 0 1 1 2 4 3 1 3 4 3 3 1 2 2 3 7 8 2 4 4 4 25 42 9 6 17 7 1 1 2 1 1 1 1 0 1 1 1 2 14 6 3 1 0 2 1 0 1 1 0 1 1 4 5 1 1 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 1 1 1 0 1 1 1 0 2 3 3 15 13 6 3 2 2 1 1 0 3 4 2 1 3 11 14 4 4 4 3 3 6 34 100 4 2 1 3 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0 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; 1HNMR: 93 93 d 1H J 19 | 88 88 d 1H J 140 | 83 82 dd 1H J 20 112 | 79 79 dt 1H J 9 43 | 79 78 dq 1H J 21 111 | 42 41 tdd 2H J 8 36 61 | 19 19 t 2H J 61
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CCCc2scnc21
ir: 2 3 3 3 2 3 4 3 2 12 11 3 1 4 9 9 8 6 4 6 4 3 3 2 2 3 3 2 2 7 6 2 2 3 4 2 2 3 3 2 2 3 3 2 2 4 4 2 2 4 3 5 9 6 4 6 12 3 4 12 3 3 2 2 3 3 3 2 5 3 2 2 3 3 2 2 3 3 2 2 3 3 2 6 12 3 3 12 3 3 3 4 3 5 3 2 3 3 3 4 5 36 2 3 4 3 2 3 4 3 3 7 4 9 24 10 6 5 6 8 4 3 9 5 3 3 3 3 3 3 4 3 7 14 2 2 3 100 0 5 7 3 2 3 3 2 2 4 3 2 2 3 6 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 3 1 2 4 2 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 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 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 5 6 5 6 5 2 3 4 4 16 19 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 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; 1HNMR: 86 86 s 1H | 31 30 m 2H | 30 29 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(O)CNC(=O)c1cc(CNc2ncccc2C(=O)Nc2cc3ccccc3cn2)ccn1
ir: 10 2 2 4 3 6 5 4 3 8 9 3 2 8 15 8 8 11 4 7 9 7 2 2 5 5 4 5 9 9 14 4 21 39 74 14 16 9 7 5 37 32 48 38 24 100 19 15 13 10 10 4 6 3 3 1 2 3 4 1 3 9 17 10 3 3 3 3 12 17 5 4 6 3 6 5 4 1 1 3 4 1 1 2 4 7 7 6 15 8 7 9 24 15 3 5 10 6 32 9 4 3 10 5 3 13 2 2 1 1 1 1 1 3 4 7 2 8 6 7 2 8 12 7 7 13 3 3 8 8 8 16 6 4 5 8 9 17 25 13 14 8 5 64 7 78 61 21 14 16 28 52 18 17 10 42 67 9 8 56 6 22 2 1 1 1 1 2 37 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 2 2 1 2 1 1 2 3 3 11 5 11 29 63 39 9 5 4 2 2 2 2 1 0 1 1 2 1 2 3 5 4 4 5 10 18 26 90 67 52 13 5 2 3 2 3 1 3 2 1 1 1 1 0 1 1 0 0 1 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 98 98 s 1H | 87 86 dd 1H J 6 20 | 86 86 d 1H J 42 | 82 81 dd 1H J 20 46 | 81 80 dd 1H J 20 82 | 80 80 m 2H | 79 79 dt 1H J 19 83 | 78 78 t 1H J 56 | 78 77 dt 1H J 18 75 | 76 74 m 3H | 74 74 ddd 1H J 10 20 44 | 68 67 dd 1H J 46 82 | 48 48 dt 2H J 9 57 | 40 39 dddd 1H J 21 49 62 104 | 36 35 ddd 1H J 41 70 130 | 33 32 ddd 1H J 42 70 132 | 27 27 d 1H J 49 | 12 11 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NS(=O)(=O)c1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1
ir: 7 13 6 3 3 1 1 2 4 4 5 7 7 9 2 1 1 1 1 1 2 2 1 1 1 1 1 3 1 3 6 4 4 4 4 2 6 13 24 100 12 0 2 5 5 5 5 3 3 2 3 4 3 19 45 24 4 4 6 2 2 1 8 5 2 2 7 3 4 4 3 2 4 1 3 3 6 5 8 11 24 15 26 20 34 60 40 31 15 28 5 3 7 3 4 3 10 4 4 5 3 4 4 2 1 3 2 2 4 3 10 7 6 8 46 16 22 60 20 5 4 7 3 3 6 4 2 3 2 3 2 1 1 4 12 16 5 2 1 2 1 2 2 4 2 6 6 4 6 18 4 2 6 2 1 1 1 1 0 1 4 2 1 1 0 0 0 1 0 0 0 0 0 0 1 1 1 0 1 0 1 0 0 1 0 0 1 0 0 0 1 0 1 0 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 2 2 2 2 1 1 1 1 1 4 6 24 66 11 3 10 2 3 0 2 2 1 1 2 1 1 1 1 3 3 14 37 32 16 11 6 27 57 21 8 2 3 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 74 73 m 4H | 73 72 m 1H | 73 72 s 2H | 72 71 m 2H | 70 70 dt 2H J 9 84 | 70 69 m 2H | 42 42 dt 2H J 9 54 | 33 32 q 2H J 51 | 32 31 p 1H J 52 | 29 29 tt 2H J 9 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC=Nc1cc(C)c(OCC(F)(F)CC(C)C)cc1C
ir: 2 1 3 2 3 1 1 1 1 1 2 1 1 2 1 1 0 0 1 2 1 2 5 3 3 6 5 1 2 6 2 1 1 4 3 1 1 0 0 0 1 0 0 1 1 2 1 1 2 1 1 1 8 0 1 1 1 1 0 1 1 1 1 1 5 5 9 6 3 4 6 11 2 1 2 5 1 1 1 1 1 1 1 2 1 1 6 24 18 1 1 3 2 2 8 2 1 1 1 1 4 12 7 3 3 3 4 7 4 22 15 5 2 1 1 1 3 3 2 3 4 4 5 2 2 2 4 8 2 1 2 2 5 3 4 1 1 1 1 1 1 4 3 0 0 1 1 1 2 0 1 2 7 6 9 100 4 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 3 1 1 1 1 2 2 4 3 2 2 4 5 12 17 8 4 36 6 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 q 1H J 9 | 69 68 s 1H | 67 67 s 1H | 44 44 t 2H J 130 | 37 37 d 3H J 10 | 24 24 s 3H | 23 23 s 3H | 19 18 m 4H | 10 9 d 6H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ccc(C#N)c([N+](=O)[O-])c1
ir: 0 3 5 3 2 3 3 1 0 2 3 5 1 2 4 1 1 2 2 1 1 2 4 1 6 46 23 5 3 1 2 10 3 3 3 11 1 2 1 7 4 3 3 0 1 4 8 9 2 4 2 1 2 10 69 53 11 6 2 1 1 2 1 0 1 3 14 30 28 3 7 6 3 2 1 1 2 2 1 0 2 28 2 1 2 3 1 1 2 2 1 2 3 10 12 3 10 27 7 2 3 2 1 1 3 1 0 2 2 2 1 2 22 7 13 3 5 12 7 4 6 14 66 23 9 6 11 7 7 2 0 2 3 1 1 1 2 0 2 4 61 8 2 3 3 1 1 4 17 54 24 3 5 13 13 5 28 34 4 12 5 2 2 2 2 1 1 3 2 1 1 2 1 0 1 1 2 1 2 2 1 0 5 3 1 1 2 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 2 1 1 2 1 1 1 2 4 2 1 3 2 2 3 5 3 3 4 5 3 4 15 40 86 100 55 18 8 7 2 3 4 1 2 6 2 1 1 2 1 0 1 2 1 1 1 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 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 1 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 1 1 2 1 1 1 2 1 0 1 2; 1HNMR: 80 80 dt 1H J 9 20 | 78 77 d 1H J 83 | 75 74 ddt 1H J 8 20 83 | 27 26 qt 2H J 9 71 | 13 12 t 3H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)c1cccc(-c2ccc(CO)cc2)c1
ir: 0 1 1 1 2 2 1 3 1 2 13 4 1 1 2 1 1 1 2 2 1 1 2 1 1 0 1 0 0 1 4 5 2 1 1 0 10 1 0 0 0 0 1 1 0 0 3 7 7 2 1 1 1 3 6 8 1 2 1 1 0 1 1 3 2 16 6 0 3 5 1 1 2 1 0 1 1 2 2 1 1 2 5 3 10 23 52 30 6 3 10 2 1 1 0 1 1 1 1 5 1 1 1 1 1 29 1 1 1 1 0 0 0 0 1 1 1 2 4 1 1 18 5 8 3 1 1 1 3 1 0 0 0 0 0 0 0 0 0 4 7 1 1 1 1 0 3 7 2 0 0 1 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 1 0 1 1 1 1 2 7 6 4 4 12 100 9 3 3 1 1 1 2 21 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 81 80 t 1H J 21 | 78 78 ddd 1H J 12 22 84 | 77 77 ddd 1H J 13 22 77 | 76 76 m 2H | 76 75 dd 1H J 75 84 | 74 73 dq 2H J 9 79 | 46 45 dt 2H J 9 57 | 32 31 s 2H | 28 27 t 1H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1
ir: 6 8 10 9 19 44 27 17 14 25 72 29 6 12 13 8 6 5 6 4 5 5 5 4 4 5 5 5 7 6 6 6 4 4 4 4 4 4 12 4 4 5 5 5 5 5 4 5 5 4 4 3 4 8 8 4 5 6 5 4 6 6 13 6 7 7 7 6 4 5 6 5 5 5 4 5 5 4 4 4 4 4 4 4 4 4 4 4 5 4 4 6 9 5 6 5 6 6 9 7 5 8 8 21 8 5 9 10 0 35 100 35 17 13 10 15 16 9 6 10 10 9 10 7 7 7 7 7 10 13 13 11 22 25 49 12 7 4 4 5 6 5 8 32 58 12 7 6 6 6 23 73 10 4 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 5 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 6 6 6 6 6 6 12 9 6 5 4 10 10 11 13 48 11 7 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 4 3 4 4; 1HNMR: 40 39 m 1H | 37 36 m 2H | 36 35 s 3H | 36 35 m 1H | 30 29 ddddd 1H J 18 29 38 48 57 | 22 21 dddd 1H J 38 54 74 127 | 20 19 ddt 1H J 55 71 126 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1c(OCc2ccccc2)c(=O)ccn1C
ir: 3 4 6 3 2 5 7 4 4 6 11 7 5 8 5 2 1 4 4 3 3 4 6 5 1 7 4 3 5 12 5 6 4 4 3 2 5 8 17 5 25 11 3 2 2 5 4 6 3 5 4 4 13 44 4 0 3 5 3 2 4 6 3 1 3 5 3 9 5 9 4 4 4 4 2 2 4 6 12 16 5 3 3 2 4 5 2 3 9 34 21 4 5 4 7 9 14 15 11 9 19 5 2 3 6 3 1 2 5 3 1 3 9 4 1 3 5 3 4 4 6 3 3 4 5 4 2 5 6 3 2 3 5 6 3 9 9 2 1 5 6 11 22 16 13 32 20 9 14 3 7 9 10 7 3 4 3 1 3 5 5 73 6 3 3 3 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 2 3 2 1 3 3 2 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 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 3 3 2 1 3 3 2 1 3 3 2 1 3 3 1 2 3 3 1 2 3 3 2 2 3 3 1 2 4 3 2 3 5 3 2 4 5 4 9 15 20 13 100 36 23 7 10 5 6 5 2 4 4 2 1 3 3 2 2 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 3 3 2 1 3 3 2 2 3 3 2 2 3 3 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 75 75 dq 1H J 9 80 | 74 73 m 5H | 65 64 d 1H J 80 | 52 51 s 2H | 34 34 d 3H J 11 | 25 24 q 2H J 71 | 11 11 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCCN1c2ccccc2C=Cc2sccc21
ir: 10 3 4 3 3 3 2 2 4 2 3 2 2 2 2 5 2 3 1 1 1 2 2 2 2 1 1 2 2 4 1 1 1 1 1 2 1 2 1 11 23 6 12 16 56 55 6 4 3 2 10 2 1 0 2 2 1 0 1 2 2 2 1 1 1 1 1 5 4 1 3 11 5 1 2 3 1 1 1 2 1 2 2 3 8 6 11 75 34 10 11 10 5 11 23 15 4 5 2 3 2 7 7 2 0 5 2 1 1 1 2 4 10 7 7 2 2 3 1 2 1 1 4 2 3 1 2 4 3 2 2 2 16 15 13 2 1 1 4 11 1 1 2 2 5 13 5 2 1 33 3 4 17 2 2 1 2 4 1 1 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 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 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 1 1 1 1 3 1 3 2 1 2 1 2 2 1 3 4 13 6 11 69 18 49 19 10 3 16 23 100 3 1 3 2 3 1 1 1 1 0 1 1 1 1 1 1 0 0 0 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3H | 73 72 d 1H J 55 | 71 70 m 1H | 70 69 m 2H | 68 68 d 1H J 55 | 42 41 m 1H | 39 38 t 2H J 62 | 37 36 q 2H J 59 | 19 18 p 2H J 60
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN1C(=O)C(C)(C)[C@@](C)(c2cccc(NC(=O)C3(C(F)(F)F)CC3)c2)N=C1N
ir: 2 6 2 3 2 1 2 3 11 4 17 17 17 8 8 4 1 4 3 1 0 2 1 1 1 3 2 1 2 1 1 1 3 2 6 7 1 1 1 6 2 1 3 19 2 2 2 10 6 5 4 3 1 1 1 1 1 0 0 0 0 1 1 0 1 1 2 1 1 2 3 2 1 3 4 2 1 0 2 2 1 0 2 13 2 2 1 0 1 7 3 4 2 8 1 1 0 0 1 3 6 17 1 1 0 0 1 12 3 2 13 3 4 1 0 1 1 1 0 1 1 1 3 2 22 9 9 7 3 5 4 2 5 1 2 4 1 1 2 1 1 1 6 5 4 3 14 100 8 5 9 2 2 1 6 1 1 2 3 2 1 1 1 2 7 3 1 1 6 66 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 1 1 2 2 4 3 3 4 5 8 2 3 4 18 6 1 1 1 1 1 1 1 1 16 9 21 1 1 2 2 9 32 6 2 2 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 s 1H | 77 77 t 1H J 21 | 76 75 dt 1H J 20 71 | 74 73 m 2H | 63 63 s 2H | 32 32 s 3H | 21 21 m 2H | 19 18 m 2H | 15 14 s 3H | 14 13 s 3H | 13 13 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C[C@@H]1CCCN1C(=O)CCC(=O)NCc1ccc(Cl)cc1
ir: 6 3 3 2 1 2 2 1 1 3 5 7 13 12 8 2 3 2 7 5 8 12 19 12 17 28 36 47 41 15 11 11 8 15 17 14 5 7 5 1 3 5 13 38 13 17 4 14 7 8 13 5 10 34 36 11 13 12 5 3 2 4 2 1 2 3 2 0 10 7 2 3 2 2 1 1 3 2 1 1 1 2 1 3 2 4 4 1 4 5 3 4 4 17 4 5 8 3 9 10 4 5 10 13 7 9 11 6 6 5 3 5 9 4 13 8 5 6 11 7 9 11 8 8 16 7 4 14 23 9 3 3 2 3 2 3 10 35 10 5 4 7 18 20 69 100 44 66 36 7 3 5 14 1 2 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 3 2 2 4 10 5 6 3 2 3 5 7 4 60 28 4 38 33 14 9 13 9 3 4 2 3 2 2 1 1 2 2 2 2 2 3 3 6 13 20 24 28 47 23 6 4 2 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 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; 1HNMR: 97 97 dt 1H J 7 59 | 73 72 m 4H | 71 71 t 1H J 56 | 44 44 dt 2H J 9 55 | 44 43 tdt 1H J 19 38 58 | 37 36 m 1H | 36 35 m 1H | 26 25 m 2H | 24 23 td 2H J 8 88 | 22 21 ddtd 1H J 21 44 56 112 | 20 19 m 2H | 19 18 m 1H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(-c2nc(N3CCN(C)CC3)sc2F)cc1
ir: 5 5 4 2 3 4 2 3 3 4 2 3 2 2 2 4 1 2 2 1 2 2 7 27 24 36 31 25 1 5 7 1 1 2 2 1 1 3 2 26 30 13 13 6 11 8 8 5 2 2 2 5 3 2 2 3 10 14 6 10 3 6 4 12 28 66 71 18 13 11 5 13 4 2 7 12 6 4 11 18 100 21 6 17 12 15 17 6 4 28 6 4 4 9 4 10 13 10 15 44 56 12 14 5 3 1 2 1 1 3 9 5 1 13 55 2 6 9 10 8 6 2 1 2 3 12 9 16 4 5 13 12 69 18 4 5 2 1 1 1 1 1 3 3 5 18 4 5 6 66 17 6 2 1 6 3 1 0 1 6 3 1 1 1 1 0 1 2 1 14 2 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 3 3 2 6 5 3 1 1 4 4 10 20 12 7 4 49 53 10 6 3 3 2 1 2 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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 1 1 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: 80 80 m 2H | 77 77 m 2H | 39 39 s 2H | 37 35 m 4H | 32 31 ddd 2H J 36 56 113 | 30 29 ddd 2H J 35 56 112 | 29 29 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1ccc2[nH]c([C@H](N)[C@@H](C)O)nc2c1
ir: 1 0 1 2 1 1 0 1 0 0 0 0 0 0 1 0 0 1 1 1 2 1 1 3 4 14 16 3 2 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 2 6 3 0 0 0 1 0 1 5 1 0 1 1 1 2 2 5 10 4 5 1 2 1 4 9 10 12 2 9 13 3 2 1 1 8 10 12 5 2 2 0 1 1 0 1 1 1 1 0 1 0 0 1 3 3 0 0 1 1 0 0 0 1 0 1 1 1 0 0 1 1 3 5 8 8 7 5 6 2 4 2 1 1 0 1 0 3 1 0 0 0 1 3 11 0 0 0 0 0 0 4 15 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 1 1 0 2 1 4 3 2 1 2 1 1 0 2 9 2 1 2 1 2 3 5 4 8 4 4 3 1 100 14 2 4 4 6 14 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 76 76 dt 1H J 7 16 | 74 73 d 1H J 77 | 73 72 m 1H | 44 44 d 1H J 51 | 42 41 dtq 1H J 15 44 56 | 41 40 qdd 1H J 40 50 65 | 36 36 d 2H J 54 | 31 30 m 1H | 14 14 dd 3H J 16 64 | 13 13 d 6H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCCCCCc1ccc(C(=O)CCCCC)c(O)c1
ir: 1 2 3 2 1 5 4 2 4 3 9 2 4 3 5 5 2 3 3 3 4 5 6 9 3 3 5 5 2 2 2 1 1 4 4 4 4 16 11 12 7 9 7 6 7 8 5 3 5 7 5 31 8 13 16 15 5 3 5 10 2 2 2 2 4 6 12 10 8 6 3 2 3 4 3 2 3 3 4 7 5 49 100 85 14 10 4 6 4 8 1 3 3 2 2 1 2 2 2 4 9 8 2 2 3 8 4 10 15 11 8 6 2 7 6 12 11 8 10 13 27 6 5 9 7 13 4 10 9 3 10 9 7 5 3 12 18 9 5 3 3 1 2 2 1 1 3 8 6 7 19 42 16 15 33 6 4 1 1 2 2 2 31 5 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 2 3 4 4 4 12 15 8 7 5 4 2 5 2 5 14 46 23 21 89 27 9 3 1 1 4 4 42 32 18 3 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 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; 1HNMR: 76 76 d 1H J 85 | 69 68 m 1H | 67 67 dt 1H J 9 17 | 30 29 t 2H J 79 | 26 25 tt 2H J 9 80 | 17 16 m 2H | 16 15 p 2H J 77 | 14 13 tddd 4H J 30 50 67 78 | 13 12 m 22H | 9 8 td 6H J 25 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C#Cc1ccc(C(=O)N2CCc3nc(NC4Cc5ccccc5C4)ncc3C2)nn1
ir: 6 16 11 14 11 6 6 7 7 8 9 15 11 7 8 21 15 15 16 19 15 9 19 26 29 7 9 8 7 6 8 7 8 26 23 90 32 39 34 21 26 48 19 8 11 8 11 10 6 10 9 10 11 8 26 7 14 10 6 6 6 6 8 6 8 6 8 7 8 5 11 8 7 6 7 8 8 5 5 5 5 5 8 7 6 6 6 8 19 10 7 9 9 11 11 7 7 19 16 12 9 6 10 8 8 7 5 7 7 6 5 6 7 10 10 11 10 6 6 9 7 8 7 13 22 16 12 19 26 16 8 9 10 17 7 13 24 25 55 23 14 15 9 8 8 10 57 95 64 26 15 11 20 5 6 10 9 3 100 0 4 8 6 3 5 6 5 3 5 6 5 4 5 6 5 28 8 6 5 4 5 5 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 4 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 11 10 7 6 6 7 5 7 9 29 14 19 42 23 5 10 7 5 5 6 6 5 6 6 6 5 5 7 22 5 5 6 6 6 7 11 18 28 92 37 13 8 6 5 6 6 6 5 5 5 5 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 83 82 t 1H J 9 | 82 81 d 1H J 82 | 79 79 d 1H J 82 | 73 72 dtt 2H J 9 38 55 | 72 71 dd 2H J 38 60 | 58 57 d 1H J 70 | 50 49 dp 1H J 59 70 | 47 47 d 2H J 7 | 39 39 m 2H | 34 34 s 1H | 33 33 ddd 2H J 8 58 147 | 31 30 ddd 2H J 9 59 148 | 29 28 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCN(CC)CCCCc1ccc(N)cc1
ir: 6 11 8 6 10 5 3 4 3 2 1 2 2 1 2 3 2 2 2 2 2 3 1 2 2 1 2 1 2 2 2 2 2 2 2 1 2 2 6 2 3 1 1 2 1 2 2 1 1 1 2 1 3 7 7 12 7 4 2 2 1 1 1 2 1 1 2 1 1 4 1 1 5 2 2 2 1 1 3 7 3 2 2 3 16 7 3 3 3 6 2 2 1 2 1 2 2 5 3 1 1 2 1 2 2 3 7 2 1 4 2 2 1 2 5 2 1 2 2 4 2 2 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 3 2 2 9 4 6 36 34 7 2 2 1 2 3 17 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 2 2 2 2 2 1 2 2 2 3 3 6 3 7 27 4 2 2 2 1 1 1 1 1 1 1 0 1 2 1 0 3 41 21 6 0 0 2 2 0 1 3 4 23 100 38 26 7 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 70 70 dq 2H J 9 81 | 66 66 m 2H | 37 37 s 2H | 26 25 m 4H | 25 24 dt 4H J 60 150 | 16 14 m 6H | 14 12 m 9H | 11 10 t 3H J 70 | 9 8 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(I)nc1-2
ir: 14 5 2 1 1 2 1 1 9 3 7 16 7 9 3 1 1 4 8 4 14 4 7 5 19 19 8 5 5 2 2 3 12 6 6 53 25 85 31 5 6 2 16 7 39 9 6 29 15 24 5 11 3 0 5 4 9 3 2 2 3 2 1 1 1 1 1 1 1 1 3 3 2 2 1 1 1 2 1 1 1 1 2 1 1 1 2 1 2 13 7 2 2 2 7 2 2 2 2 4 7 4 1 2 2 1 4 4 3 4 4 8 6 6 26 3 2 6 16 10 5 11 25 6 2 6 7 3 3 2 1 7 8 14 5 20 6 7 13 32 19 8 65 22 4 1 1 2 3 31 3 4 3 100 20 2 1 3 25 9 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 1 1 2 3 2 5 6 2 2 2 4 3 10 8 3 5 13 6 2 2 2 2 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 2 2 5 5 36 25 9 11 1 3 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 84 84 s 1H | 83 83 d 1H J 9 | 71 70 m 2H | 70 70 dd 1H J 73 90 | 40 40 s 3H | 34 33 m 2H | 31 30 m 2H | 27 26 qd 4H J 8 71 | 13 12 t 6H J 72
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1
ir: 4 22 20 9 14 5 3 2 8 2 13 1 3 2 19 15 21 10 3 2 2 1 2 3 1 3 7 10 5 7 4 3 1 2 1 1 1 2 1 2 3 1 1 1 2 2 2 2 3 3 7 10 4 9 22 12 18 21 10 3 6 5 4 13 7 5 2 1 1 33 3 1 1 2 1 2 2 2 1 1 2 1 1 0 1 2 4 5 4 12 3 3 3 2 3 2 5 3 5 2 4 15 42 8 8 2 1 1 3 5 12 17 1 2 2 5 2 12 13 10 12 9 30 14 25 25 12 9 10 14 8 7 10 7 3 1 1 1 3 3 3 2 7 30 38 34 19 4 3 5 2 47 100 5 5 4 6 1 0 1 1 0 11 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 1 3 3 3 1 2 2 3 5 4 2 3 8 8 7 16 34 41 42 86 26 27 5 3 3 2 3 3 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 s 4H | 37 36 s 3H | 36 36 s 2H | 33 33 s 3H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C(CCCCO)N1C(=O)c2ccccc2C1=O
ir: 3 7 5 6 7 4 10 2 0 7 5 3 2 4 3 2 2 2 3 3 1 2 4 6 2 2 4 1 3 5 6 7 2 3 2 1 5 29 51 36 100 11 8 4 6 6 10 5 3 1 2 2 2 2 1 0 1 1 2 1 3 2 5 3 2 2 3 5 3 6 4 2 4 4 3 3 2 2 2 5 11 1 2 4 4 6 14 5 6 70 7 4 3 8 6 5 3 4 5 4 3 1 1 2 2 2 2 6 3 3 2 2 4 8 2 12 10 7 5 12 7 20 8 11 3 4 3 2 2 10 6 40 58 10 6 16 4 4 14 4 3 2 6 24 11 15 39 17 7 7 1 3 3 2 75 2 8 1 1 11 1 1 0 1 1 1 1 0 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 2 2 4 3 3 3 2 1 2 7 5 2 16 9 7 45 21 3 2 2 2 1 3 10 3 0 1 2 2 1 1 1 1 1 2 4 3 4 3 7 13 15 11 6 2 3 1 1 1 1 1 1 1 1 0 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 0 0 0 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 1; 1HNMR: 79 79 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 75 74 d 1H J 86 | 73 72 m 2H | 73 72 m 3H | 52 51 t 1H J 44 | 45 44 dt 1H J 71 86 | 42 41 m 2H | 36 35 q 2H J 55 | 31 30 ddt 1H J 9 72 142 | 29 28 ddt 1H J 9 71 142 | 27 26 t 1H J 58 | 20 19 m 1H | 18 17 dtd 1H J 43 68 136 | 16 14 m 4H | 13 12 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1C2CCC(C2)N1NCc1ccc(F)cc1
ir: 0 4 4 13 1 2 4 3 2 2 3 4 2 4 6 13 3 2 2 13 2 1 1 1 1 2 2 4 7 4 2 3 1 5 9 9 11 3 2 1 2 6 3 4 5 8 13 6 10 2 6 5 9 12 29 25 10 13 7 5 21 41 19 3 9 0 11 21 4 5 5 2 4 7 7 19 3 3 3 1 2 2 1 1 4 3 4 3 15 10 5 19 7 6 1 2 14 8 12 3 4 4 4 26 5 4 1 3 9 4 1 4 4 7 9 21 10 12 5 7 6 4 4 5 9 9 3 2 4 2 1 2 4 14 14 12 4 4 1 2 2 2 2 4 29 12 9 10 6 3 1 3 5 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 4 10 3 2 3 5 4 5 3 10 17 13 100 8 7 3 0 3 6 2 1 2 2 1 1 2 2 1 5 6 8 41 9 10 3 1 4 3 2 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 74 73 ddt 2H J 9 35 79 | 71 70 m 2H | 42 41 m 3H | 41 40 m 2H | 38 37 d 1H J 62 | 30 29 p 1H J 35 | 27 26 dp 1H J 36 62 | 20 19 m 2H | 19 18 ddt 1H J 37 55 130 | 18 17 m 2H | 17 16 ddt 1H J 38 58 124 | 13 12 t 3H J 63
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C(CC(F)(F)F)c1cc(Cl)c(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)c1
ir: 3 2 4 5 2 2 1 2 3 3 1 1 0 12 2 1 0 2 4 1 1 5 2 0 1 1 1 0 0 1 1 5 1 1 1 11 2 1 1 6 2 2 1 1 1 5 2 0 0 1 1 2 1 2 3 10 55 5 1 1 1 1 1 1 3 2 18 4 5 2 7 3 3 3 1 0 1 1 0 0 2 2 1 0 1 2 8 2 3 4 4 10 4 2 1 1 1 6 2 9 37 4 2 1 4 4 9 2 1 1 1 3 100 3 5 3 3 2 6 2 4 1 2 9 2 23 7 2 5 3 3 6 6 10 7 2 5 1 1 0 1 1 1 2 13 4 3 4 7 5 4 1 3 1 1 1 0 0 0 0 5 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 2 1 1 2 1 5 9 7 3 2 9 13 19 8 6 3 3 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 76 m 3H | 76 75 m 2H | 74 74 m 1H | 42 41 m 2H | 40 40 d 2H J 46 | 40 39 tt 1H J 7 79 | 30 28 dqd 1H J 79 126 187 | 27 26 dqd 1H J 79 126 187 | 14 13 pt 1H J 46 64 | 12 11 t 3H J 63 | 7 6 m 2H | 5 4 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
BrCC1(c2ccc(Br)cc2)CC1
ir: 3 2 0 2 3 2 1 2 3 2 1 2 3 2 23 3 3 4 1 5 8 2 1 2 2 1 1 2 2 1 1 2 3 7 8 7 4 14 3 4 4 12 2 3 3 3 4 3 2 1 4 3 2 6 43 19 4 2 2 3 2 1 2 3 2 1 2 11 10 4 2 3 1 2 2 3 1 1 3 3 0 17 3 3 2 2 6 7 2 24 4 8 2 1 2 2 1 2 2 2 1 2 6 3 1 2 3 2 1 2 3 2 2 6 4 2 3 2 3 2 1 3 10 8 16 4 5 2 2 3 3 2 1 2 2 2 1 2 2 2 2 2 2 2 4 6 48 4 5 6 7 24 3 3 3 1 2 3 3 1 2 3 2 0 2 3 2 1 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 6 2 2 3 2 12 7 7 13 3 35 100 10 16 10 14 6 7 4 2 2 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 74 74 m 2H | 73 72 m 2H | 34 34 s 2H | 14 13 m 2H | 11 10 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2ncnc(Oc3cnn(CC(=O)Nc4ccc(Cl)c(C=O)c4)c3)c2cc1OC
ir: 3 3 5 7 9 5 6 6 4 3 6 5 15 8 7 4 2 4 5 3 6 7 14 8 5 4 4 10 7 7 6 11 5 12 4 9 22 10 12 3 7 29 8 9 12 7 3 2 5 17 99 16 23 30 16 44 11 13 11 13 18 25 5 8 6 10 13 8 27 21 5 10 6 6 5 3 6 4 3 3 4 4 4 3 5 3 3 3 7 8 24 7 6 5 13 12 5 4 17 44 3 3 2 3 4 5 16 11 3 23 0 3 5 3 1 3 5 4 3 3 5 5 10 6 6 5 4 7 7 6 8 5 5 2 2 5 6 2 1 7 7 3 100 20 9 2 43 37 52 58 20 10 8 74 56 32 41 32 9 2 2 3 6 18 3 3 10 20 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 3 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 2 3 4 3 3 2 2 3 3 5 4 5 8 15 34 30 42 21 19 14 5 3 3 3 4 5 3 2 2 3 2 2 3 2 4 6 12 14 16 48 19 8 4 4 3 3 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 95 95 s 1H | 86 85 s 1H | 80 79 d 1H J 22 | 76 76 dd 1H J 22 82 | 76 75 m 4H | 74 74 s 1H | 73 72 s 1H | 52 51 d 2H J 7 | 39 39 s 3H | 39 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@H](N=[N+]=[N-])c1ccccc1Br
ir: 6 5 3 4 8 8 2 9 6 4 3 4 9 4 6 7 7 4 3 6 6 4 3 7 8 4 3 6 6 2 2 4 4 3 3 7 17 3 3 4 5 11 51 31 8 4 5 5 3 2 3 5 3 1 3 5 3 1 4 5 5 3 5 5 3 3 8 5 4 3 4 6 6 4 6 9 3 4 5 12 13 6 5 9 4 40 6 5 2 3 5 12 54 8 9 5 4 7 8 10 3 3 4 4 2 4 7 3 2 3 5 3 1 4 5 3 2 5 6 5 2 4 6 3 3 4 10 10 9 14 8 4 3 5 8 4 17 21 6 16 5 4 4 3 5 5 4 18 19 4 4 3 2 4 4 2 3 6 5 4 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 0 22 4 4 2 3 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 4 2 2 4 4 2 3 4 4 2 3 4 3 2 6 5 4 2 3 5 3 3 4 6 5 2 6 15 14 15 36 100 54 7 7 7 4 2 3 4 3 3 4 4 3 2 4 4 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 4 3 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2; 1HNMR: 76 76 m 1H | 73 72 m 3H | 47 46 q 1H J 79 | 14 14 d 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cc1ccc2c(c1)C(O)(C1CC1)c1sccc1CO2
ir: 2 3 4 2 1 1 1 1 1 1 4 1 1 1 0 0 0 1 0 1 1 0 0 0 0 0 0 2 1 1 2 1 1 0 1 1 1 1 1 4 3 3 1 3 18 6 1 4 1 1 1 2 2 2 5 20 2 1 1 1 1 2 1 0 4 6 2 3 1 0 2 2 1 1 3 1 2 1 2 2 2 2 16 11 5 6 3 5 5 4 3 2 4 3 1 2 0 0 1 3 3 2 2 4 3 2 3 2 8 2 1 1 1 0 1 0 1 1 2 2 1 0 2 1 2 3 1 2 1 1 1 2 4 11 1 0 0 1 0 1 1 2 1 6 12 11 4 2 3 4 11 7 7 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 1 1 1 1 1 1 2 2 1 1 1 2 2 3 2 4 4 12 17 14 12 21 12 3 10 11 100 18 7 5 1 2 1 1 1 1 1 1 1 0 1 1 1 0 1 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 d 1H J 42 | 72 71 dt 1H J 9 19 | 71 71 m 1H | 69 69 dt 1H J 8 42 | 68 67 d 1H J 83 | 52 51 m 2H | 51 50 s 1H | 37 36 s 2H | 36 36 t 2H J 9 | 24 24 p 1H J 56 | 12 11 m 2H | 9 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cc(F)c(NC(CC(F)(F)F)C(N)=O)nc1Nc1cnc2ccccc2c1
ir: 2 2 3 1 3 2 2 3 9 6 5 4 10 3 3 4 3 6 7 6 9 6 5 18 5 4 3 7 10 3 3 3 3 5 3 4 3 3 4 1 3 11 16 7 20 2 3 3 4 1 1 2 3 1 1 1 4 2 2 1 1 3 2 1 2 1 1 2 3 2 3 3 1 1 1 1 3 2 2 4 2 1 2 1 3 1 2 1 1 2 4 7 2 1 2 1 2 1 2 2 0 20 2 3 2 8 2 4 2 2 2 5 2 5 3 2 4 2 1 3 4 2 1 6 2 2 3 2 2 1 1 2 2 1 1 2 3 7 9 5 4 29 14 3 18 7 16 2 3 2 4 3 2 3 100 1 3 7 8 0 24 0 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 1 1 1 2 2 1 3 3 7 13 7 5 2 2 1 1 1 1 1 1 1 1 1 1 1 1 0 13 2 3 7 16 20 53 24 16 4 2 4 11 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 91 90 s 1H | 88 88 d 1H J 16 | 80 80 dd 1H J 15 75 | 77 77 m 1H | 76 75 m 2H | 75 74 m 2H | 70 70 dd 1H J 45 78 | 70 70 s 2H | 43 43 dtq 1H J 19 61 82 | 28 27 dqd 1H J 62 126 189 | 26 24 dqd 1H J 63 126 189
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(c2cc(F)cc3c2cc(C(N)=O)n3Cc2ccccc2)CC1
ir: 5 2 1 4 11 17 17 9 9 12 17 6 4 24 55 4 0 3 8 9 2 17 2 3 3 3 3 2 3 4 7 3 4 3 6 19 30 17 7 18 33 6 10 4 4 4 1 3 1 4 2 1 1 1 1 1 1 3 2 1 2 2 3 7 4 18 22 4 7 9 3 3 3 2 2 1 3 2 5 3 1 1 1 1 1 1 2 1 3 13 5 2 2 3 1 2 2 2 3 4 3 2 4 2 2 2 1 1 3 2 1 2 2 1 3 7 15 6 14 9 31 8 7 2 1 2 2 3 5 6 4 5 4 5 2 11 8 9 4 1 1 3 4 19 8 5 3 3 2 3 20 5 14 9 4 2 6 74 60 7 3 7 13 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 2 1 2 2 4 4 3 3 2 3 2 4 7 24 16 21 100 30 30 5 4 2 2 2 1 1 1 1 1 1 2 1 1 6 36 2 1 1 1 1 1 1 1 1 1 0 5 42 6 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 77 76 s 1H | 73 72 m 6H | 72 71 dd 1H J 22 121 | 70 69 m 3H | 64 63 tt 1H J 9 33 | 57 57 d 2H J 9 | 41 41 dt 2H J 9 35 | 38 37 m 2H | 32 31 m 2H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(CN2CCC3(C=Cc4ccccc43)CC2)cc1
ir: 2 3 9 4 2 2 3 3 2 3 3 2 5 1 4 6 2 1 1 1 2 1 0 0 0 0 2 1 1 4 7 1 1 2 1 0 0 0 1 1 1 2 4 16 1 0 1 0 1 1 1 0 1 8 2 0 13 2 3 2 1 2 1 1 0 0 1 3 1 1 3 2 1 1 1 1 1 1 5 6 2 4 1 6 5 0 1 2 2 0 1 1 1 1 2 4 1 1 4 4 2 3 4 1 1 1 1 0 0 0 0 1 2 2 2 5 0 6 2 1 1 1 1 1 8 4 1 1 2 2 2 2 2 6 2 10 1 1 1 1 2 1 3 9 4 0 1 2 2 10 2 7 3 2 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 1 1 1 1 1 1 1 2 8 0 11 100 7 4 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 80 79 m 2H | 74 73 m 5H | 71 71 m 1H | 68 68 m 1H | 62 62 dt 1H J 8 78 | 44 44 q 2H J 64 | 36 36 t 2H J 9 | 29 29 ddd 2H J 35 61 121 | 27 27 ddd 2H J 35 62 121 | 23 22 dddd 2H J 9 35 62 121 | 20 20 dddd 2H J 9 35 62 119 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nsc(Nc2cnc3cc(C(F)(F)F)ccc3n2)c1C(=O)Nc1ccc(Cl)c(Cl)c1
ir: 3 5 9 8 17 8 4 4 3 3 4 1 1 1 2 3 20 6 3 5 2 3 4 3 2 5 19 10 10 9 4 1 2 3 2 2 2 1 13 6 14 11 8 3 4 3 3 3 3 5 13 60 13 32 14 21 15 36 4 3 1 9 5 2 4 12 16 8 16 10 40 5 3 3 4 1 1 2 1 1 2 3 2 0 1 1 0 1 3 9 2 4 9 35 3 1 3 3 0 41 8 3 4 2 4 22 3 3 15 4 9 2 2 3 16 4 2 5 3 2 2 3 4 3 4 6 3 3 4 18 16 16 2 3 1 3 22 3 3 2 1 7 2 1 2 12 4 3 8 10 44 9 9 30 33 5 4 2 2 0 3 25 100 8 3 27 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 3 4 3 1 3 11 16 59 22 12 4 2 2 2 2 1 1 1 2 1 2 1 2 2 4 4 9 7 4 4 10 42 44 45 23 8 5 2 2 3 2 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 92 91 s 1H | 88 88 s 1H | 82 82 dt 1H J 10 20 | 81 81 s 1H | 81 80 d 1H J 113 | 80 79 m 2H | 76 76 dd 1H J 22 81 | 74 74 d 1H J 80 | 26 26 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)CN(CCC(=O)N2CCCO[C@@H](Cc3ccc(F)cc3)C2)CC[C@@]1(O)c1ccc(Cl)cc1
ir: 7 3 4 8 2 1 3 8 2 6 4 2 4 2 5 3 1 3 3 1 3 1 2 4 4 8 2 2 1 2 2 4 2 3 4 3 1 2 1 0 1 1 3 2 5 2 1 2 2 2 6 1 2 5 19 5 29 7 5 3 3 1 2 2 2 3 2 12 7 9 1 1 1 1 1 3 6 5 5 16 6 15 3 4 4 14 14 3 8 6 4 1 2 2 4 3 5 2 4 3 4 4 2 3 1 2 3 3 3 3 4 2 3 1 1 2 1 3 5 2 6 2 5 4 7 9 6 4 5 4 4 5 2 2 2 2 1 2 4 3 2 5 1 3 3 3 9 25 19 4 2 1 7 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 1 1 1 2 1 2 2 2 3 2 1 2 2 2 1 7 8 11 18 63 26 11 4 5 3 7 14 100 14 3 4 5 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 73 m 2H | 73 72 m 2H | 72 72 ddt 2H J 10 34 79 | 71 70 m 2H | 42 41 m 1H | 38 37 dt 1H J 70 112 | 37 36 m 2H | 36 35 m 2H | 35 34 m 2H | 31 31 ddd 1H J 33 60 123 | 31 30 ddt 1H J 8 75 139 | 30 27 m 6H | 25 24 t 2H J 58 | 22 21 ddd 1H J 33 60 136 | 20 18 m 3H | 9 9 d 5H J 179
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2nc(CCC(C)=O)cc2-c2ccc(Cl)cc2)cc1
ir: 3 2 0 3 3 3 1 3 7 4 10 15 14 4 6 4 4 4 1 5 3 4 3 5 3 2 1 2 2 2 3 1 1 1 1 2 3 4 2 5 2 1 1 2 2 0 2 2 2 2 2 4 4 0 42 75 48 25 5 5 9 4 3 15 4 7 2 4 7 16 6 17 23 26 7 6 2 1 2 2 1 1 1 1 1 3 2 4 9 4 3 4 3 2 2 4 4 5 3 5 1 1 1 1 4 2 3 1 1 2 3 2 1 3 8 4 5 4 5 3 5 7 26 6 6 9 10 6 2 6 5 4 3 5 3 8 5 3 2 5 23 100 8 2 14 8 13 41 13 9 28 8 65 6 2 2 6 2 1 0 1 1 1 5 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 3 3 4 3 5 3 3 4 4 26 31 12 39 77 24 36 11 6 5 5 3 2 1 0 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 76 75 m 4H | 74 74 m 2H | 71 71 m 2H | 68 68 d 1H J 9 | 38 38 s 2H | 30 29 ddt 2H J 9 74 83 | 29 28 td 2H J 10 75 | 22 22 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc2ccc(CN3C=CN=C(c4cnn(C)c4)C3)cc2s1
ir: 11 13 14 32 20 9 8 5 3 7 6 3 1 4 3 4 5 11 40 6 45 38 48 6 9 9 18 5 3 8 7 11 5 5 5 1 3 9 4 2 3 13 10 2 13 4 3 1 3 9 11 15 4 4 3 15 21 24 25 12 4 6 4 4 7 10 48 20 39 12 3 5 4 19 17 3 5 6 2 1 16 7 13 16 21 60 35 21 17 11 19 13 6 5 3 2 9 12 3 4 5 3 3 4 9 9 6 16 26 22 24 22 27 26 7 25 15 11 23 19 7 19 44 18 14 14 9 88 20 20 15 17 11 9 12 15 3 5 5 19 41 18 16 75 45 24 3 5 5 8 94 11 23 1 1 3 3 5 8 5 10 3 2 3 2 1 2 3 2 0 2 3 2 0 2 3 2 1 3 3 2 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 1 3 2 0 1 2 2 1 1 3 2 0 1 3 1 0 2 2 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 3 2 2 4 3 2 4 4 4 3 3 4 3 3 4 7 6 4 12 20 12 60 64 42 27 100 40 39 41 35 18 6 4 4 3 4 2 1 3 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2; 1HNMR: 78 78 s 1H | 77 76 m 3H | 73 73 ddd 1H J 10 21 79 | 70 69 d 1H J 82 | 60 59 dp 1H J 9 82 | 44 44 q 2H J 9 | 43 43 d 2H J 10 | 40 39 s 3H | 28 28 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)N1CCC[C@H]2c3nc(N)ncc3CC[C@@H]21
ir: 3 3 4 4 1 2 2 2 3 2 4 2 2 2 4 3 2 3 3 3 3 2 1 1 1 6 5 3 2 2 3 1 1 5 5 2 5 22 7 4 3 2 5 4 2 1 2 1 1 1 0 1 1 0 1 4 0 3 1 1 1 2 1 0 1 1 1 0 1 0 1 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 1 1 1 1 0 1 4 0 1 0 1 0 1 1 0 2 1 1 1 2 3 2 1 1 1 1 1 1 1 1 1 3 9 2 1 3 3 3 2 2 3 2 1 2 1 1 1 1 2 2 3 5 5 17 48 3 100 4 5 11 3 1 0 1 0 14 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 0 1 1 1 3 5 2 1 1 0 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 1 3 3 1 1 1 0 1 1 1 0 0 0 2 62 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 79 79 d 1H J 9 | 68 68 s 2H | 39 38 td 1H J 44 71 | 37 37 dddd 1H J 13 27 66 121 | 35 35 m 1H | 31 30 td 1H J 40 70 | 30 28 m 2H | 23 21 m 2H | 21 19 m 3H | 19 18 m 1H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Clc1cccnc1OC1CCOCC1
ir: 1 1 1 1 1 1 14 12 2 2 3 2 1 1 2 1 1 1 0 1 1 2 1 1 2 1 1 4 2 1 1 2 4 4 11 5 34 24 28 18 34 5 2 3 2 1 1 9 1 0 1 2 1 0 1 2 1 0 1 2 1 1 7 4 1 2 3 2 4 2 3 2 3 2 14 4 13 3 1 1 5 3 7 38 4 1 4 1 2 1 4 2 1 1 1 3 5 2 1 1 1 1 2 9 1 3 2 4 5 14 9 4 3 3 4 2 1 2 2 2 2 3 2 3 2 3 4 4 3 87 19 9 17 25 3 2 3 8 3 2 3 1 1 4 47 4 3 1 1 2 2 0 1 9 100 59 4 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 3 2 4 4 3 3 2 5 5 11 22 2 4 27 16 6 5 2 1 0 1 2 1 0 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0; 1HNMR: 84 83 dd 1H J 22 44 | 76 76 dd 1H J 21 80 | 73 72 dd 1H J 44 79 | 50 49 p 1H J 55 | 38 37 ddd 2H J 37 63 112 | 37 36 ddd 2H J 37 63 112 | 23 22 dddd 2H J 36 54 62 141 | 20 19 dddd 2H J 37 54 62 141
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC[C@H](C)Oc1nc(N)c2nc(OC)n(CCCCCN3CCCCC3)c2n1
ir: 0 2 1 2 0 3 2 2 4 3 1 5 1 1 3 2 0 2 5 2 5 5 4 5 4 7 6 4 11 7 6 4 2 3 3 6 3 4 6 5 10 10 9 3 6 4 5 4 3 3 2 7 4 3 4 1 2 5 2 3 1 5 2 1 1 2 5 2 3 2 2 2 2 4 4 2 4 3 1 1 2 3 6 4 4 13 5 3 3 6 1 3 3 1 3 2 2 1 1 2 3 4 2 1 2 1 3 4 3 2 3 3 3 3 2 2 3 2 8 9 4 7 12 6 3 6 6 2 1 4 2 1 2 2 2 1 1 2 3 2 2 3 9 61 6 5 2 3 11 100 42 7 11 66 19 2 4 2 1 1 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 4 3 1 0 1 1 1 0 0 1 0 0 1 1 0 0 1 1 1 1 2 13 26 5 3 2 1 1 1 0 1 1 1 7 35 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 70 70 s 2H | 46 45 h 1H J 65 | 43 42 t 2H J 77 | 40 39 s 2H | 25 24 m 6H | 20 19 tt 2H J 60 77 | 19 18 m 1H | 17 13 m 17H | 9 9 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1OC(c2ccccc2)(c2ccccc2)C2CN(S(=O)(=O)c3ccccc3)CCN12
ir: 5 6 3 2 6 4 5 9 11 5 5 16 11 8 8 4 4 1 2 3 2 1 0 2 2 1 1 3 2 2 16 15 7 13 4 4 4 3 3 7 63 1 2 11 5 2 2 2 1 0 1 2 1 1 2 5 6 2 2 2 2 0 2 2 4 4 2 4 4 5 4 3 3 9 5 6 10 12 8 7 6 18 5 4 21 21 37 11 8 8 4 3 1 1 3 3 4 3 5 4 3 3 2 2 0 1 2 1 0 1 3 2 1 6 3 3 1 4 3 6 10 5 6 2 2 2 5 2 2 5 8 7 2 3 11 23 9 4 3 2 1 4 13 5 8 5 4 1 1 4 54 5 3 3 3 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 2 1 0 2 3 2 1 1 2 3 2 3 5 11 4 12 100 30 11 3 3 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 80 79 tt 1H J 15 75 | 78 77 m 2H | 77 76 m 2H | 74 73 m 8H | 73 72 m 2H | 47 47 t 1H J 49 | 41 40 ddd 1H J 41 62 104 | 39 39 dd 1H J 49 120 | 38 37 ddd 1H J 40 64 105 | 37 36 dd 1H J 49 120 | 36 35 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1CN(C(=O)Cc2ccccc2)C(C)CN1
ir: 8 4 2 4 8 4 5 7 10 9 6 9 10 5 4 9 9 5 3 12 10 5 5 33 38 18 4 8 8 22 26 17 13 8 10 17 17 19 24 27 24 7 7 10 6 9 10 13 7 1 4 7 4 1 11 12 8 1 5 9 8 3 6 10 9 2 5 7 10 11 7 7 5 3 9 11 3 4 7 7 4 3 7 6 2 2 5 6 4 3 6 7 4 7 5 5 3 6 12 5 4 16 23 12 5 4 8 6 2 12 24 18 7 32 12 10 5 12 18 36 21 13 15 15 6 21 16 31 20 15 13 17 20 9 19 12 3 7 8 4 3 7 18 26 56 16 50 61 9 6 5 3 2 6 4 1 2 5 4 2 3 6 3 0 3 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 3 5 2 1 4 5 2 1 4 5 2 1 4 5 2 1 4 4 2 2 4 4 1 2 4 4 1 2 5 4 1 2 5 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 3 5 2 1 4 5 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 4 5 4 3 5 8 7 4 5 7 5 8 9 19 35 22 29 41 28 22 11 8 4 3 5 6 3 2 5 6 4 6 5 8 6 15 100 58 13 3 5 6 3 3 4 4 2 2 4 4 2 2 4 4 1 2 5 3 1 2 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 5 2 1 3 4 2 1 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 2 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1; 1HNMR: 73 72 m 5H | 39 38 qt 1H J 42 64 | 37 36 dd 1H J 33 115 | 36 35 m 2H | 34 34 dd 1H J 33 115 | 33 33 m 1H | 29 29 dt 1H J 44 117 | 27 26 dt 1H J 43 117 | 23 22 dt 1H J 46 68 | 13 13 d 3H J 62 | 11 11 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cn2nc(Nc3sc(-c4c(F)cc(C(C)(C)O)cc4F)cc3C(N)=O)ccc2n1
ir: 3 4 3 6 3 2 2 4 5 3 25 4 3 4 15 9 3 3 5 12 5 4 11 20 14 8 10 5 6 3 5 3 11 15 44 23 6 6 4 4 3 5 6 17 5 5 11 15 8 18 14 3 3 5 3 1 2 2 4 6 14 18 7 2 6 4 5 19 15 4 2 3 6 4 3 7 12 11 5 2 5 4 3 4 6 3 10 8 2 7 3 4 4 4 7 7 15 3 2 4 3 4 5 3 6 6 2 2 3 1 1 2 3 6 2 5 34 8 2 4 2 2 2 2 2 3 2 3 6 7 9 5 3 2 4 3 2 1 2 1 2 8 2 3 6 2 3 98 3 26 6 3 18 3 4 3 7 10 68 100 4 1 9 4 2 0 3 11 2 0 2 3 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 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 1 1 1 1 1 2 1 1 1 1 2 2 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 5 4 4 11 10 14 22 13 9 7 6 8 31 5 3 3 1 2 2 2 3 15 10 3 3 2 3 7 23 47 21 8 2 4 7 26 3 2 3 2 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2; 1HNMR: 100 99 s 1H | 84 84 s 1H | 79 78 d 1H J 88 | 74 74 m 2H | 71 70 m 2H | 69 68 s 2H | 43 43 q 2H J 64 | 41 41 s 1H | 16 15 s 5H | 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.
O=C(O)c1ncccc1OCC12CC1CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)CC1)C2
ir: 3 2 4 1 1 1 3 1 2 3 1 1 3 3 11 4 8 16 0 24 30 100 23 11 9 13 6 4 2 5 5 2 6 8 6 2 4 5 7 31 10 3 1 1 3 3 4 4 3 4 4 6 2 3 3 4 2 2 1 0 3 7 6 6 2 1 6 4 3 3 2 2 4 3 2 5 14 3 13 11 24 4 2 3 7 9 8 5 8 7 4 5 4 4 2 5 3 6 6 8 7 2 14 4 5 2 7 5 3 8 13 15 16 8 3 5 1 3 3 5 5 2 2 4 5 2 1 41 3 2 2 3 2 3 2 2 4 4 13 4 2 2 1 1 24 8 14 32 1 6 3 1 4 2 10 13 3 3 2 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 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 0 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 1 1 2 4 3 2 3 3 2 4 2 2 2 8 9 9 5 17 4 3 0 2 4 2 1 29 37 12 4 2 1 1 1 1 0 0 0 0 0 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 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 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: 85 85 dd 1H J 22 42 | 73 73 m 2H | 44 43 d 1H J 110 | 41 40 d 1H J 110 | 37 36 m 2H | 35 34 m 2H | 25 24 tt 1H J 42 70 | 22 21 m 1H | 21 20 p 1H J 28 | 20 18 m 4H | 18 18 dd 1H J 31 71 | 17 16 m 4H | 16 15 dd 1H J 31 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(c1ccccc1)c1ccccc1
ir: 7 5 10 3 4 3 0 5 2 2 8 6 2 1 1 2 7 1 2 4 1 1 8 1 1 1 2 4 7 1 3 5 3 21 7 0 2 2 5 40 10 19 4 12 11 2 1 1 1 0 0 1 1 1 0 1 1 1 2 2 1 1 1 1 1 1 2 1 6 13 2 1 1 1 1 2 1 4 6 3 5 4 14 7 2 1 1 1 7 11 6 2 1 1 1 1 5 4 4 2 2 1 1 1 4 1 0 0 1 1 1 5 2 1 0 1 2 1 4 6 2 5 13 2 5 1 3 5 6 8 3 6 3 3 1 48 5 4 6 1 0 1 5 12 14 11 3 2 1 0 2 24 11 5 1 0 0 0 0 1 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 0 0 0 0 0 0 1 1 0 1 1 1 0 1 2 2 2 2 7 13 1 16 100 23 3 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 74 72 m 14H | 73 72 m 2H | 43 42 m 1H | 43 43 s 1H | 37 35 m 4H | 31 30 m 1H | 29 28 ddd 1H J 9 50 108 | 28 27 m 2H | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(CC12CC3CC(CC(O)(C3)C1)C2)Nn1nc(-c2ccccc2)c2ccsc2c1=O
ir: 2 12 6 3 1 2 4 5 3 5 6 2 20 3 2 2 1 1 4 7 12 3 1 2 1 3 6 14 28 12 12 18 3 29 2 5 4 8 2 5 24 7 10 18 4 28 14 8 2 9 3 43 3 2 11 7 12 7 2 1 1 1 2 1 2 2 6 3 8 1 1 1 4 6 27 1 15 8 8 7 2 3 10 10 2 4 4 11 7 1 2 1 1 6 22 4 4 2 1 2 2 3 3 4 6 9 4 3 4 2 3 2 4 3 3 2 2 2 5 7 23 14 22 8 8 2 2 4 3 3 9 5 3 28 45 16 4 2 3 4 16 14 16 3 3 12 25 8 3 3 34 22 11 2 1 2 2 9 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 2 3 4 3 4 8 18 6 6 12 28 1 16 1 3 1 3 15 4 1 1 1 1 1 1 1 1 0 1 2 3 6 8 100 17 5 2 0 3 3 1 0 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 78 78 d 1H J 55 | 76 75 m 2H | 74 74 m 3H | 73 72 m 1H | 27 26 s 1H | 26 26 s 2H | 21 20 tt 2H J 47 56 | 19 18 dd 2H J 55 134 | 18 17 dt 1H J 54 128 | 17 17 s 2H | 17 16 dd 2H J 48 130 | 16 15 dd 2H J 56 133 | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1N
ir: 11 5 6 7 8 4 8 4 4 3 11 11 10 19 8 10 5 5 6 3 3 3 4 5 6 6 5 3 4 7 7 4 6 3 17 29 9 5 4 8 2 4 3 2 2 1 3 2 2 2 2 2 6 3 2 2 2 2 1 1 1 1 1 1 4 13 20 8 7 4 2 1 4 2 3 1 1 1 2 1 3 6 1 1 2 2 6 7 2 1 1 1 1 2 1 1 7 35 19 11 2 1 2 2 2 15 2 1 2 2 4 1 2 4 23 27 3 1 1 1 2 2 2 2 1 6 16 3 5 2 1 2 3 9 4 2 2 2 6 18 5 2 3 3 16 25 1 2 4 1 2 7 15 29 4 41 51 29 6 5 2 6 3 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 0 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 2 1 1 2 4 2 3 3 9 4 9 36 0 24 34 3 3 2 2 1 2 1 1 1 2 3 2 2 100 67 1 2 3 2 1 1 2 2 3 4 35 95 5 3 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 82 81 s 1H | 78 78 q 2H J 10 | 56 56 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1ccc(C)nc1C1=NC(C)(C(C)C)C(=O)N1C(C)=O
ir: 7 23 19 7 7 4 5 5 3 2 5 1 3 3 3 3 2 3 7 2 1 1 1 1 1 2 4 2 2 3 3 23 4 2 1 1 2 4 3 6 17 7 4 4 7 25 100 27 3 9 14 1 3 13 4 5 6 3 1 1 2 3 4 5 11 4 2 1 2 6 7 46 11 11 2 17 3 5 10 2 3 11 6 1 1 1 5 1 1 2 4 2 8 6 3 7 2 1 1 4 1 1 1 1 1 1 1 2 1 3 6 3 2 2 1 3 6 4 6 26 20 54 6 22 4 3 13 13 6 12 4 16 20 8 7 2 44 16 4 19 10 12 7 3 3 2 5 6 59 7 9 16 34 9 29 3 4 1 3 24 2 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 2 3 3 1 1 2 1 2 3 3 3 8 5 6 18 23 37 12 13 15 13 9 2 2 1 1 1 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 80 79 d 1H J 84 | 75 74 dq 1H J 8 85 | 39 39 s 3H | 26 26 d 3H J 7 | 24 24 s 3H | 22 22 m 1H | 15 15 d 3H J 16 | 10 10 d 3H J 78 | 10 10 d 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)CC1
ir: 20 10 0 10 14 7 3 8 15 13 7 13 22 19 34 31 57 60 63 38 26 17 19 16 20 23 10 53 42 37 36 91 64 58 68 32 59 30 33 25 25 15 11 19 13 8 7 13 9 5 9 13 12 8 13 18 10 5 9 20 9 2 8 13 7 2 9 12 6 2 9 14 6 5 15 17 20 9 18 13 7 5 10 11 5 6 10 14 9 10 14 14 4 9 16 11 10 22 27 48 38 41 56 31 16 12 18 20 19 45 59 56 62 39 29 32 34 22 31 21 4 14 14 10 3 9 13 9 4 15 13 11 6 11 12 7 4 10 10 4 4 10 13 9 19 27 15 14 6 13 9 3 6 12 14 22 20 48 41 13 23 15 10 3 6 11 7 1 6 11 7 1 6 12 6 1 7 11 6 2 7 11 5 2 8 10 5 3 8 10 4 3 8 10 4 3 9 9 4 4 9 9 4 4 9 8 3 4 9 8 3 5 10 8 3 5 10 7 2 6 10 7 2 6 11 6 2 6 11 6 2 7 11 6 2 7 10 6 3 7 10 6 3 8 10 5 4 8 10 5 4 8 9 5 4 9 9 4 4 9 8 4 5 9 9 4 5 10 9 5 8 13 10 6 18 21 19 11 13 19 24 20 15 28 18 4 10 12 7 3 7 10 6 4 7 9 6 4 8 9 10 17 23 12 93 100 32 34 15 6 9 10 5 6 11 15 37 90 68 14 5 7 9 8 3 5 10 7 3 5 10 7 2 5 10 7 2 6 10 6 2 6 10 6 2 6 10 6 2 7 10 6 3 7 9 5 3 7 9 5 3 8 9 5 4 8 9 5 4 8 8 4 4 8 8 4 5 9 8 4 5 9 7 4 5 9 7 3 5 9 7 3 6 9 6 3 6 10 6 2; 1HNMR: 64 63 s 2H | 23 22 m 1H | 22 21 m 1H | 19 18 m 4H | 17 16 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nc2cccc(NC3CCCCC3)n2n1)c1ccc(NCCCO)nc1
ir: 13 7 9 9 16 15 3 7 11 11 7 15 8 7 2 8 10 12 5 7 6 3 3 7 8 4 7 15 9 6 7 7 8 2 10 12 14 13 14 16 19 12 16 16 22 15 23 29 13 7 6 9 9 2 9 12 11 2 5 9 4 34 58 36 9 0 5 7 5 2 5 7 3 1 5 5 2 2 5 11 3 1 6 7 2 9 12 16 12 11 20 31 18 7 11 7 2 5 7 7 8 15 10 7 7 14 44 29 21 21 49 23 38 74 21 30 15 20 13 17 9 13 21 12 7 12 9 6 3 8 6 4 3 6 9 4 7 7 5 6 14 17 15 23 81 38 28 7 24 16 20 27 17 12 6 9 14 9 5 1 3 6 17 1 3 7 8 12 9 5 4 6 6 6 3 0 3 5 2 0 3 5 2 15 4 4 2 1 3 4 2 1 4 4 2 2 3 4 1 1 4 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 3 0 2 5 3 0 2 5 3 0 3 5 3 1 3 5 3 0 3 5 2 1 3 5 2 1 4 4 2 2 4 4 2 2 4 4 2 1 4 4 2 2 5 4 2 2 5 5 3 3 6 6 2 7 13 8 4 22 18 29 8 15 15 16 13 36 100 40 27 46 32 25 49 18 17 16 10 42 49 24 11 8 7 6 4 6 10 7 9 15 29 50 20 18 31 69 15 12 12 6 6 7 5 3 4 4 4 2 3 5 4 2 3 4 3 2 3 5 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 3 1 3 4 2 1 3 4 2 2 3 4 2 2 3 4 2 2 3 4 2 2 4 3 2 2 4 3 2 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 3 4 3 1; 1HNMR: 87 87 d 1H J 20 | 80 80 dd 1H J 20 81 | 77 76 dd 1H J 13 86 | 74 74 dd 1H J 80 87 | 70 70 d 1H J 81 | 68 68 dd 1H J 14 80 | 67 67 d 1H J 68 | 56 55 t 1H J 49 | 38 38 t 1H J 56 | 37 36 dp 1H J 41 68 | 36 35 q 2H J 55 | 35 34 td 2H J 48 65 | 19 17 m 4H | 17 16 m 2H | 16 15 m 3H | 15 14 t 1H J 18 | 15 14 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCOc1nc(N)nc2ccc(-c3ccc(F)cc3)cc12
ir: 5 5 7 4 4 6 6 4 8 5 5 9 5 5 6 5 5 5 4 8 4 6 6 10 6 5 4 7 4 5 8 6 7 8 6 4 6 4 4 4 5 5 5 5 5 4 4 7 12 6 6 5 6 13 29 14 16 7 5 6 4 4 4 4 4 5 4 4 6 5 6 5 6 4 4 3 5 5 4 5 6 4 3 3 3 4 4 3 4 3 4 4 5 4 3 4 4 3 4 4 4 4 3 4 3 4 3 3 3 3 4 3 4 4 4 4 5 4 4 4 5 4 4 4 4 4 4 4 4 4 4 4 4 4 5 4 4 4 5 4 7 8 11 3 37 21 23 9 8 5 7 25 7 11 9 5 7 4 4 4 4 8 3 4 4 3 4 10 4 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 3 4 4 3 5 5 6 22 9 5 5 6 4 4 4 4 4 4 4 4 5 4 4 4 4 7 23 5 4 3 4 6 3 3 5 6 1 8 100 0 8 5 2 3 5 4 2 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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: 85 84 d 1H J 25 | 80 80 d 1H J 80 | 78 77 dd 1H J 24 79 | 75 74 m 2H | 72 71 m 2H | 64 64 s 2H | 45 45 t 2H J 53 | 38 37 t 2H J 54 | 34 34 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc(-n2cnnn2)c(CN)c1F
ir: 3 2 0 2 10 4 6 5 5 3 1 2 3 1 0 2 3 3 2 3 3 1 1 4 3 1 2 4 3 1 1 3 4 2 1 4 4 1 2 3 3 1 2 4 3 1 2 4 6 53 33 41 7 6 9 17 9 11 7 5 2 2 2 6 2 1 3 3 1 2 3 5 2 43 100 70 44 2 4 11 4 7 10 5 1 1 6 20 21 3 2 5 4 4 3 5 9 5 7 2 0 1 2 2 0 1 4 2 1 2 6 7 4 3 3 2 2 9 6 9 5 12 9 3 1 6 16 14 4 22 39 27 34 20 36 8 12 4 3 2 1 1 2 8 4 3 3 1 2 2 2 2 3 24 3 1 1 2 2 1 3 2 3 1 2 2 1 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 2 2 0 1 2 2 1 1 3 2 1 2 4 4 1 12 23 11 13 2 4 2 1 2 3 3 2 5 2 23 48 48 54 8 5 9 10 15 35 24 5 2 2 3 2 1 1 2 2 1 1 2 2 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 2 0 1 2 1 0 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0; 1HNMR: 92 92 s 1H | 76 75 d 1H J 99 | 71 70 dd 1H J 49 98 | 44 44 td 2H J 48 57 | 39 39 s 3H | 20 19 t 2H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cccc(C(=O)c2ncc(CC#N)c3cc(OC)c(OC)cc23)c1
ir: 2 4 3 4 4 6 6 5 7 3 6 5 3 6 10 7 4 5 4 3 11 7 5 3 4 10 9 5 10 17 9 13 12 18 16 4 12 11 69 16 30 5 4 4 11 10 15 12 34 10 31 15 3 3 5 3 10 17 13 14 8 14 5 2 5 12 10 38 39 25 7 12 9 6 5 4 7 5 7 9 4 4 7 2 2 4 2 3 3 3 2 3 3 11 9 7 5 3 3 2 3 3 4 10 13 22 16 5 14 12 8 7 16 12 6 4 3 3 7 5 1 4 7 8 9 26 29 17 23 13 6 9 19 16 7 8 3 5 4 7 22 14 10 50 9 5 10 11 4 2 3 4 5 7 3 2 7 12 36 34 26 15 24 6 3 1 3 5 3 8 2 2 2 1 2 3 2 2 2 47 2 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 2 2 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 4 3 2 2 3 4 3 2 5 3 3 6 6 6 10 21 23 33 100 47 9 3 6 6 2 2 3 2 2 2 2 2 2 2 2 2 2 2 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 85 85 q 1H J 7 | 78 78 s 1H | 78 77 ddd 1H J 10 22 79 | 75 74 t 1H J 79 | 74 73 m 2H | 70 70 ddd 1H J 10 18 81 | 40 40 d 2H J 9 | 39 38 s 5H | 38 38 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccnc1)N1CCc2cc(Cl)ccc21
ir: 5 10 11 8 14 5 5 3 4 3 3 3 3 4 3 7 6 4 4 4 4 4 4 4 4 5 5 7 5 5 9 18 44 24 13 15 15 5 12 30 9 51 100 31 6 6 8 5 5 7 5 6 7 11 30 12 11 4 8 11 12 0 75 18 9 7 5 4 10 11 10 4 3 5 4 14 4 5 6 6 5 6 4 4 5 13 4 4 3 4 4 4 4 12 6 9 4 4 4 8 4 5 7 16 17 14 4 3 4 4 6 8 25 9 4 5 4 6 4 7 14 5 9 9 11 10 4 5 7 11 2 4 4 3 3 4 5 3 11 19 29 9 46 10 11 44 81 5 7 5 19 58 20 74 16 7 4 5 5 5 5 7 5 4 4 4 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 8 5 4 3 4 4 4 8 16 8 20 42 34 35 8 6 4 4 4 4 3 4 4 3 5 4 3 4 4 4 4 4 13 21 14 17 77 33 9 15 6 4 4 4 5 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; 1HNMR: 87 87 t 1H J 16 | 85 84 s 1H | 84 83 ddd 1H J 15 22 38 | 81 80 dt 1H J 19 77 | 74 73 dd 1H J 40 78 | 73 72 d 1H J 90 | 72 71 dd 1H J 25 89 | 71 70 dt 1H J 9 23 | 41 40 m 2H | 31 30 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C[C@@H]1CN(c2ncc(C#N)cc2Cl)CCN1c1cc(-c2ccc(F)cc2)nc(N2CCC[C@@H]2C)n1
ir: 1 1 1 0 1 1 2 2 9 10 1 1 0 1 0 1 1 3 2 1 1 2 1 2 2 2 6 2 1 4 3 2 1 3 2 6 5 39 22 41 7 2 2 0 0 1 2 0 1 1 1 0 1 4 1 19 11 3 4 2 1 1 1 3 13 10 15 9 3 5 3 0 1 3 1 1 1 1 1 2 2 7 4 9 8 2 3 4 1 2 2 2 2 1 6 3 2 1 1 4 5 1 0 1 2 3 4 1 1 1 2 3 2 1 1 2 1 2 2 1 3 2 1 5 2 1 1 4 2 2 3 4 3 3 4 4 1 1 7 8 2 2 2 1 16 100 39 16 19 10 10 3 4 8 1 2 3 20 19 4 1 0 2 48 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 1 1 1 1 0 1 1 2 5 16 9 8 25 13 6 4 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 87 87 d 1H J 18 | 77 76 m 3H | 71 71 m 2H | 66 66 s 1H | 49 48 qdd 1H J 40 68 82 | 41 40 dtdd 1H J 29 48 71 93 | 40 39 m 2H | 39 38 m 1H | 39 38 m 1H | 38 38 m 1H | 38 37 m 2H | 37 36 m 1H | 21 20 m 1H | 20 19 m 2H | 18 17 m 1H | 13 13 t 6H J 78
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)cc2c(O)c1C
ir: 1 3 6 5 2 2 4 2 6 7 4 2 4 16 4 7 2 2 2 1 1 8 10 2 1 4 10 4 8 5 10 4 3 4 2 1 2 6 5 13 17 16 2 3 1 2 2 1 7 29 15 15 4 2 7 27 28 7 2 3 2 4 1 1 2 5 3 3 29 17 5 0 4 7 6 7 5 7 1 1 3 5 3 22 14 16 1 21 13 4 6 7 9 6 2 1 2 2 4 3 4 6 13 3 4 2 1 2 5 7 1 2 2 1 3 1 3 5 8 11 6 6 11 9 11 13 4 4 4 2 3 14 5 7 8 23 15 4 17 6 31 37 5 13 10 6 3 7 100 5 23 6 3 2 14 70 43 4 2 2 2 1 1 3 2 2 1 8 2 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 0 0 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 2 2 2 1 2 2 1 1 1 2 4 2 1 1 2 1 1 2 2 2 2 3 5 3 9 7 33 44 36 5 4 3 3 6 4 14 42 8 2 1 2 2 1 1 1 2 1 0 1 2 1 1 1 2 1 1 1 1 1 1 2 1 0 1 2 1 0 1 2 2 1 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 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; 1HNMR: 85 84 s 1H | 84 84 s 1H | 81 81 s 1H | 78 77 m 2H | 76 76 m 2H | 25 25 s 3H | 21 21 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.