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CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCCNC(N)=O)C(=O)O
ir: 0 7 3 3 4 4 5 5 6 6 7 6 8 26 17 23 12 23 20 25 47 39 18 24 8 7 16 22 24 30 11 27 18 10 10 6 6 12 17 29 100 45 12 10 11 6 6 20 17 6 4 7 4 12 6 4 3 5 4 3 4 5 5 4 6 4 4 3 3 3 6 4 6 4 5 9 11 19 38 23 11 5 6 10 6 4 7 4 3 3 2 2 3 4 3 4 6 5 4 4 3 3 2 4 10 4 6 4 5 8 20 8 5 9 9 6 5 10 5 17 18 17 10 8 6 5 6 5 5 11 11 8 5 5 3 3 4 3 3 7 7 11 75 40 20 24 10 23 21 50 18 5 6 2 3 4 3 1 21 30 3 4 3 2 2 3 2 2 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 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 2 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 3 3 2 3 2 2 2 2 3 2 2 2 3 3 4 2 4 5 3 4 3 3 7 7 11 4 10 18 9 4 3 3 3 3 3 3 2 3 3 13 43 12 3 3 3 2 6 32 7 5 3 4 5 15 24 62 20 9 10 8 41 13 3 4 3 2 2 3 2 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3; 1HNMR: 77 76 d 1H J 93 | 61 61 t 1H J 48 | 59 59 d 1H J 81 | 52 52 s 2H | 41 40 m 2H | 32 31 m 2H | 21 20 m 1H J 66 | 19 18 m 1H | 17 15 m 4H | 14 14 s 7H | 9 9 ddd 6H J 15 66 194
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1ccc2c(-c3ccc(C(F)(F)F)cc3)nc(Nc3cc(C)[nH]n3)cc2c1
ir: 8 6 8 6 7 6 2 4 6 4 4 4 5 3 5 7 9 14 2 5 7 5 13 5 16 10 11 6 8 6 11 58 23 14 5 8 5 3 2 5 5 2 3 6 5 4 4 37 11 22 9 6 6 2 6 21 25 12 5 7 4 0 8 7 5 3 8 7 5 7 14 29 11 10 32 8 5 3 4 5 3 2 4 5 2 9 5 5 2 2 5 4 2 2 5 6 1 27 42 44 51 4 4 5 2 11 15 5 9 5 6 15 22 22 5 5 4 7 8 6 4 13 6 6 4 29 11 7 4 4 9 18 26 5 8 3 3 4 5 4 4 20 7 3 18 19 16 10 6 27 7 3 6 8 19 56 3 6 8 45 16 8 8 8 5 4 4 4 32 9 4 3 4 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 2 2 4 4 2 2 4 4 2 2 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 4 4 3 2 4 4 2 2 4 4 2 3 4 4 2 3 4 4 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 5 5 4 9 7 7 24 100 17 29 22 8 6 3 5 7 4 5 4 5 3 3 5 5 3 3 4 6 5 6 12 23 9 83 63 10 8 6 5 4 3 4 4 4 3 3 4 4 3 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 2 3 4 3 3 3 4 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; 1HNMR: 93 93 s 1H | 82 81 d 1H J 88 | 81 80 m 2H | 78 78 s 1H | 77 77 dq 2H J 14 114 | 73 73 t 1H J 24 | 71 71 d 1H J 23 | 70 69 dd 1H J 25 89 | 58 58 s 1H | 38 38 s 3H | 23 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(F)CN1CCC(COc2ccc(-c3ccc4c(c3)CCS4(=O)=O)cc2)CC1
ir: 3 12 9 6 6 11 4 4 7 6 3 5 4 4 3 4 2 7 3 4 3 3 4 1 2 6 2 2 2 2 3 2 1 2 3 2 2 5 5 4 3 4 4 2 5 5 4 1 2 5 4 0 16 65 20 12 8 0 3 8 6 8 3 9 31 8 4 8 11 6 4 3 3 6 3 3 4 2 3 7 9 12 31 24 11 23 16 34 28 11 20 10 3 4 4 3 2 4 3 4 5 7 14 10 11 6 7 10 4 8 3 3 5 4 3 5 4 10 4 4 4 3 4 5 6 3 3 3 6 9 3 3 2 2 2 2 3 4 6 5 3 1 2 3 2 2 32 5 5 5 5 6 6 5 3 2 2 3 2 2 2 2 2 3 13 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 1 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 1 2 2 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 3 3 2 2 2 8 6 5 3 4 3 4 5 6 32 51 23 25 100 41 8 5 10 4 3 3 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 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 1 1 1 2 2 1 1 2 2 1 1 2; 1HNMR: 80 80 d 1H J 90 | 77 76 dd 1H J 22 90 | 76 75 m 2H | 75 75 dt 1H J 8 21 | 69 69 m 2H | 40 40 d 2H J 51 | 37 36 m 2H | 32 31 ddd 2H J 8 76 88 | 30 28 m 6H | 21 20 tt 1H J 51 60 | 20 19 dddd 2H J 50 60 77 127 | 17 16 m 2H | 16 16 s 3H | 16 16 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Fc1cnc(-c2c[nH]c3ncc(Cl)cc23)nc1NCC1CC(F)(F)CCN1
ir: 2 2 2 2 3 2 5 3 4 2 7 5 10 5 6 4 4 1 10 26 5 4 3 5 3 3 2 11 9 3 2 1 3 3 3 1 4 11 22 100 14 1 6 5 3 1 3 7 5 0 5 6 2 1 1 2 4 7 3 3 2 1 1 2 2 3 6 4 11 2 3 3 1 1 2 3 1 2 2 1 1 1 2 2 1 2 10 2 2 3 11 3 4 2 2 2 6 2 2 2 6 2 4 2 12 5 9 5 7 2 2 8 8 4 7 3 4 3 17 5 6 6 7 7 10 7 3 3 8 6 4 4 3 12 10 3 2 2 3 10 13 3 10 4 1 3 6 1 1 4 4 5 21 53 5 14 3 0 10 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 1 1 2 1 1 3 8 5 2 2 4 2 4 4 2 2 1 1 1 1 1 2 2 2 2 2 4 10 9 18 5 7 4 19 32 33 9 4 8 4 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 d 1H J 16 | 83 82 d 1H J 139 | 81 80 d 1H J 78 | 80 80 d 1H J 17 | 62 62 q 1H J 47 | 40 40 ddd 1H J 33 48 143 | 39 39 q 1H J 52 | 38 37 ddd 1H J 33 48 143 | 35 34 ddtd 1H J 15 30 57 90 | 30 29 ddtd 1H J 25 50 64 128 | 28 27 ddtt 1H J 26 50 66 126 | 23 22 dtd 1H J 48 126 174 | 22 20 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCn1c(C)c(C)cc(C#N)c1=O
ir: 0 13 27 13 5 21 23 13 2 14 24 10 3 16 23 11 9 28 32 14 9 18 22 7 5 18 20 6 6 19 19 6 7 20 17 4 8 20 17 6 11 21 16 3 10 22 16 9 51 100 43 5 13 25 15 11 15 27 13 1 13 23 11 3 15 25 12 6 22 27 14 9 17 24 11 9 17 20 11 8 19 20 8 7 18 18 6 7 18 17 6 8 20 17 6 9 24 18 8 15 31 27 12 12 23 15 3 11 24 14 6 23 32 17 6 17 36 15 7 17 29 14 4 15 23 11 5 17 24 12 6 20 28 16 7 17 21 12 12 25 27 10 7 21 21 9 41 68 24 9 11 73 68 9 10 20 14 5 11 28 32 4 11 22 14 3 11 22 13 2 12 23 12 2 13 22 11 3 13 21 11 5 40 51 10 4 15 20 9 5 16 19 9 6 16 18 8 7 17 17 7 8 18 17 7 8 18 16 6 9 19 15 5 10 19 14 5 10 20 14 4 11 21 13 3 12 21 12 3 12 21 12 3 13 21 11 4 14 20 10 5 14 19 10 5 15 19 9 6 16 18 9 7 16 17 8 8 17 17 7 8 18 16 7 10 18 16 6 10 21 19 9 13 19 14 6 13 22 15 6 15 25 19 10 24 32 14 7 32 41 19 6 16 22 11 6 14 19 11 6 14 19 10 7 15 18 9 7 16 17 9 8 16 16 8 8 17 16 8 9 17 15 7 10 18 15 7 10 18 14 6 11 19 13 5 11 19 13 5 12 20 12 4 12 20 12 5 13 19 11 6 13 18 11 6 14 18 10 7 14 17 10 7 15 17 9 8 15 16 9 9 16 16 8 9 16 15 8 10 17 15 7 10 17 14 7 11 18 14 6 11 18 13 6 12 19 13 6 12 19; 1HNMR: 76 75 hept 1H J 11 | 40 39 q 2H J 79 | 23 22 p 3H J 10 | 20 20 p 3H J 9 | 13 12 t 3H J 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc(C(C)C)c2c(c1OC)S(=O)(=O)N(CCl)C2=O
ir: 2 9 9 29 14 6 13 13 6 6 23 11 35 11 9 5 2 9 9 13 9 11 9 7 5 6 14 15 6 5 6 2 3 11 52 27 6 6 7 4 7 6 7 34 11 9 19 5 3 6 6 2 3 6 4 7 6 6 3 2 5 7 13 2 62 17 14 9 25 16 4 6 9 8 10 5 18 17 9 6 6 6 5 10 22 100 5 2 6 6 2 3 7 11 13 15 25 6 2 5 6 5 3 5 7 8 14 12 13 7 9 6 7 5 3 12 47 27 13 6 19 16 9 10 9 7 4 7 7 3 12 8 5 2 1 4 6 1 2 26 54 4 5 7 9 11 3 3 4 3 4 11 4 38 1 5 3 1 2 6 7 28 4 5 3 0 2 5 3 0 2 5 2 0 3 5 2 0 3 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 3 1 1 4 3 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 4 3 0 2 5 2 0 2 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 2 4 4 1 2 4 3 1 2 4 3 1 2 5 6 2 2 4 3 2 4 7 4 1 4 7 7 7 10 16 7 10 22 8 4 2 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 2 3 3 2 1 3 3 2 1 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 2 4; 1HNMR: 73 72 d 1H J 9 | 56 56 s 2H | 39 39 d 6H J 16 | 35 34 pd 1H J 9 68 | 13 13 d 6H J 69
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CCN1CC1CC1
ir: 11 7 6 8 8 10 5 11 12 11 20 8 7 7 6 11 10 6 10 12 16 14 27 23 54 32 7 8 8 6 5 6 7 7 9 19 26 40 33 14 14 22 64 100 12 15 8 5 7 11 10 6 12 14 7 5 7 7 5 4 7 9 7 5 8 9 8 8 12 19 12 7 9 12 11 11 7 6 5 6 7 9 15 19 14 21 12 18 31 15 13 7 8 9 7 13 12 9 11 12 8 7 5 6 6 5 5 7 11 17 7 7 11 8 23 9 7 14 39 11 20 17 45 59 17 15 21 8 8 11 10 16 16 19 52 15 25 14 32 21 10 52 22 7 8 28 19 11 51 17 26 20 10 6 9 16 7 0 56 5 11 5 7 15 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 5 4 5 5 4 4 5 5 4 4 5 5 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 4 4 5 5 5 4 5 5 4 4 5 5 4 5 5 5 4 4 5 5 4 5 5 5 5 6 6 6 6 8 8 6 6 10 14 14 19 32 18 22 78 43 17 11 22 14 7 5 5 5 6 5 5 6 5 5 4 5 5 5 5 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 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; 1HNMR: 83 82 dd 1H J 16 69 | 82 81 dd 1H J 13 74 | 79 78 m 1H | 77 76 td 1H J 15 72 | 75 75 td 1H J 14 70 | 74 74 m 1H | 74 73 m 2H | 43 42 s 2H | 38 37 m 2H | 36 35 t 2H J 48 | 33 33 d 2H J 46 | 13 12 pt 1H J 47 62 | 6 5 m 2H | 3 3 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(-c2cnc3nc(SC)nc(NCC(F)(F)F)c3n2)cc1
ir: 2 3 3 2 6 7 5 3 3 3 10 4 16 13 61 53 47 25 22 13 14 11 5 3 7 5 5 3 3 4 4 10 45 14 27 6 2 9 3 5 1 2 1 2 3 1 2 3 1 1 2 4 3 15 10 21 9 34 12 0 3 3 1 0 1 2 1 0 16 5 2 1 5 1 4 6 1 2 1 1 4 4 21 5 1 1 1 1 3 5 4 1 2 2 2 4 15 10 6 2 6 6 3 2 3 6 3 3 4 3 5 9 100 14 5 6 6 25 14 9 4 6 33 41 26 18 7 4 6 1 1 13 8 3 2 3 36 6 2 5 11 29 10 15 48 12 2 2 4 13 3 2 7 44 32 5 3 20 17 5 14 1 1 2 11 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 2 1 1 4 3 9 4 7 49 6 6 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 3 4 6 10 9 16 28 19 32 20 6 3 3 2 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1; 1HNMR: 95 95 s 1H | 82 81 m 2H | 81 80 m 2H | 69 69 tq 1H J 23 57 | 44 43 m 4H | 25 24 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(C(C)C(=O)O)cc1
ir: 1 1 0 1 1 1 1 1 1 1 0 1 1 3 11 11 2 4 10 4 4 19 24 8 4 7 4 1 1 1 1 0 1 2 1 1 2 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 2 7 7 0 1 2 1 0 0 1 1 0 1 1 1 1 1 7 1 1 2 2 2 3 1 3 17 18 2 1 2 1 1 1 1 3 2 1 1 1 2 1 10 4 4 1 1 1 1 1 0 1 1 1 0 1 1 1 0 2 4 3 2 1 1 1 1 1 1 1 2 3 2 2 1 2 2 2 0 1 1 0 0 0 1 0 0 1 2 1 6 9 4 2 1 2 16 2 1 1 5 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 1 0 1 1 1 1 0 1 0 0 1 1 1 1 3 3 1 1 2 2 8 8 4 4 1 1 1 4 2 2 100 45 3 2 2 1 1 1 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 73 72 m 2H | 71 71 dt 2H J 9 74 | 37 37 m 1H | 23 23 d 3H J 10 | 15 14 d 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc(Br)c(C)c2c1SCc1cn(C)nc1-2
ir: 12 7 5 8 8 7 7 6 10 8 49 61 26 21 5 18 15 4 14 19 16 14 17 9 6 2 3 9 9 3 34 29 8 2 3 7 5 2 4 10 29 14 33 34 6 1 4 8 5 2 5 14 9 5 6 11 8 12 22 10 5 1 5 12 35 57 36 42 55 6 28 29 8 9 11 12 5 5 10 9 4 1 7 7 3 5 7 7 2 2 8 8 4 6 14 61 100 75 3 8 31 25 13 62 30 8 12 7 3 5 10 12 28 9 10 9 10 16 22 8 9 13 14 7 2 11 14 8 14 16 23 6 3 7 12 15 29 19 39 27 19 34 40 2 2 7 5 3 24 48 15 41 79 18 10 2 23 15 13 3 4 8 5 2 4 8 5 1 4 8 4 0 4 8 4 1 5 8 5 1 5 8 4 1 5 7 3 2 5 7 3 2 6 6 2 2 6 6 2 2 6 6 2 3 6 6 2 3 6 5 2 3 7 5 2 3 7 5 1 4 7 5 1 4 7 4 1 4 8 4 1 5 7 4 1 5 7 4 1 5 7 3 2 5 7 3 2 5 7 3 2 6 6 3 2 6 6 3 3 6 6 2 3 7 6 2 4 7 7 8 12 13 8 4 9 13 11 5 12 22 10 5 16 79 47 4 20 66 36 57 53 11 20 56 8 8 9 11 5 5 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 5 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 6 3 2 5 6 3 2 5 5 3 3 5 5 3 3 5 5 3 3 5 5 3 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 4 6 4 2 4 6 4 2; 1HNMR: 76 75 d 1H J 8 | 73 72 s 1H | 43 43 d 2H J 9 | 39 38 s 3H | 25 25 s 3H | 24 24 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C#N)c1ccc(N)cc1F
ir: 3 4 5 6 9 6 8 5 4 3 2 2 2 1 2 2 1 1 2 1 2 1 1 2 3 2 3 2 2 2 4 2 2 1 2 2 2 3 2 1 1 1 1 1 1 1 1 1 1 0 1 3 12 14 6 6 1 0 1 1 1 1 1 2 2 2 3 6 3 0 1 1 1 0 1 1 1 0 3 16 5 2 1 1 1 4 2 1 1 1 1 1 0 1 1 4 4 1 2 2 0 1 1 1 0 2 3 1 2 3 1 1 1 1 1 1 1 2 4 4 1 2 1 1 1 1 1 1 2 2 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 5 2 5 9 41 89 78 11 3 4 2 1 68 3 4 1 0 1 2 1 0 1 1 1 0 1 1 1 2 3 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 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 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 2 2 3 5 5 2 6 12 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 2 25 22 2 0 1 1 2 0 0 2 3 0 100 72 1 3 2 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 2 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 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 72 72 m 1H | 65 64 m 2H | 42 41 s 2H | 18 17 s 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
FC(F)(F)Oc1cccc(-c2ccnc(Cl)c2)c1
ir: 6 5 6 5 7 5 2 5 6 3 3 6 6 4 4 5 3 4 4 10 10 7 4 5 3 2 2 3 5 4 6 8 9 12 8 5 3 1 2 2 2 2 3 5 9 45 31 40 22 12 3 4 2 0 2 4 3 1 2 3 2 1 3 10 7 10 24 21 9 8 5 6 8 7 29 22 5 3 7 9 9 10 7 4 2 1 3 2 1 2 4 4 3 11 13 7 2 21 59 69 20 20 9 4 3 7 7 5 4 5 5 3 2 2 4 4 2 5 5 8 3 4 3 4 2 3 4 2 4 4 4 9 15 9 9 2 3 3 4 8 44 31 7 1 2 9 14 15 5 4 4 6 14 20 28 43 7 15 71 14 4 3 3 8 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 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 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 3 2 3 4 5 3 4 12 51 47 100 13 10 6 3 3 4 4 4 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1; 1HNMR: 85 85 d 1H J 46 | 76 76 d 1H J 22 | 76 75 dd 1H J 22 46 | 74 74 dt 1H J 15 77 | 74 73 m 1H | 74 74 s 1H | 72 72 ddd 1H J 14 23 68
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1c2ccc(Cl)cc2C2CNCC12
ir: 1 2 4 6 0 1 2 2 2 3 3 3 2 2 3 4 3 6 4 8 5 2 2 1 1 2 2 1 1 3 5 1 1 4 6 3 4 4 5 2 15 21 10 13 7 13 7 5 10 16 12 18 5 30 21 22 7 4 2 5 11 11 23 11 7 16 24 55 66 34 21 12 7 3 5 2 2 1 2 4 7 7 4 4 8 12 5 3 11 16 13 6 8 12 5 3 3 2 2 2 4 6 7 9 23 16 100 59 9 12 8 6 12 37 27 22 6 13 17 9 7 5 5 8 10 16 4 3 3 2 1 3 2 1 1 1 1 1 1 1 18 21 2 2 1 1 1 1 19 31 0 50 39 2 2 2 2 1 2 4 4 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 0 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 2 2 1 3 2 1 5 7 16 11 10 9 19 23 32 54 63 21 5 0 2 3 2 1 2 5 1 0 1 2 2 1 2 6 54 55 4 2 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 73 72 dd 1H J 22 79 | 72 72 dd 1H J 7 22 | 70 70 dd 1H J 7 79 | 35 35 p 1H J 39 | 32 32 m 1H | 31 30 m 2H | 30 29 m 2H | 28 28 ddd 1H J 23 40 125 | 23 23 m 1H | 12 12 dd 3H J 15 55
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC[C@@H](Nc1cnc(C(N)=O)c(Nc2cnn3ccccc23)n1)C(N)=O
ir: 3 4 13 5 18 14 2 4 3 6 10 3 4 10 27 19 3 4 6 12 16 26 9 28 21 3 7 8 7 10 6 4 16 15 8 14 13 3 5 3 8 12 4 10 4 7 8 7 29 92 6 2 7 3 5 0 2 1 1 1 1 2 2 1 1 3 7 2 1 1 2 1 4 3 2 2 12 2 3 3 3 6 10 8 1 1 1 1 1 1 1 5 5 1 1 1 6 1 2 13 1 2 1 2 8 1 1 2 1 1 4 7 8 2 5 8 5 6 5 3 1 1 12 3 1 2 2 1 2 20 5 4 2 3 4 2 28 4 12 100 15 26 2 5 80 5 4 3 2 3 3 4 1 22 5 0 1 15 64 13 11 3 1 1 3 65 1 2 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 1 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 1 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 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 1 4 3 0 1 3 14 20 13 5 3 1 3 2 2 0 1 2 2 2 2 2 16 70 5 3 15 23 23 70 32 14 8 3 5 23 56 4 2 2 1 2 2 2 0 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 92 91 s 1H | 89 88 dd 1H J 13 69 | 84 84 s 1H | 79 78 dd 1H J 12 93 | 76 75 m 1H | 72 71 d 3H J 48 | 71 71 td 1H J 13 73 | 66 66 s 2H | 66 66 d 1H J 90 | 41 40 dddd 1H J 16 33 66 104 | 21 20 dqd 1H J 50 74 134 | 19 18 dqd 1H J 49 74 134 | 10 9 td 3H J 15 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(C)cc1)CC/C2=C\c1cccc(C2CC2)c1
ir: 5 4 7 5 2 3 8 8 3 4 28 15 80 9 15 53 14 4 4 1 1 3 4 8 18 6 15 20 4 11 16 15 57 15 7 4 7 5 5 5 11 10 11 3 10 29 15 6 6 7 18 5 48 26 11 3 8 8 3 2 6 8 25 21 8 10 20 8 27 25 16 6 4 9 6 10 13 10 5 2 7 24 4 2 92 19 18 12 34 9 2 5 15 85 66 5 6 5 3 5 14 12 25 5 5 11 13 8 3 2 0 2 3 3 5 43 10 13 4 16 12 7 4 7 19 37 4 11 3 3 2 4 14 11 2 3 4 1 4 21 7 4 5 8 27 6 60 49 11 11 5 9 15 16 3 3 4 2 2 3 7 5 4 5 2 23 4 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 0 2 2 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 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 2 1 1 1 2 2 0 1 2 1 1 1 2 4 2 2 2 4 6 5 4 4 2 5 15 7 14 28 22 52 100 45 75 46 18 12 14 3 3 3 3 2 1 2 2 1 1 2 2 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 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 2 1 0 1 2; 1HNMR: 78 77 m 2H | 74 74 q 1H J 8 | 73 72 m 8H | 39 39 s 2H | 33 32 t 2H J 52 | 31 30 tdd 2H J 9 17 48 | 26 25 qd 1H J 49 56 | 24 24 d 3H J 10 | 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.
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4ccccc4OC)CC3)nc21
ir: 3 4 3 7 8 4 5 5 5 3 6 6 13 6 12 18 18 9 10 9 10 71 18 9 4 4 2 4 14 18 14 21 18 9 12 9 21 32 6 8 4 8 43 47 15 16 61 15 4 6 5 2 2 2 6 4 7 10 3 3 2 1 2 3 2 5 3 5 6 3 5 5 2 1 4 9 18 46 11 3 2 2 4 4 4 2 3 3 1 2 4 2 6 3 16 5 4 11 2 4 2 3 4 6 5 5 6 5 3 3 1 2 3 7 6 3 5 3 8 9 4 7 8 6 11 2 14 8 2 1 3 3 1 4 5 12 17 11 30 15 7 2 12 4 4 9 51 80 53 9 4 2 9 45 10 5 3 5 7 26 9 13 15 2 1 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 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 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 1 0 2 1 1 1 2 2 2 1 2 1 2 2 3 4 10 4 5 38 17 5 3 15 2 1 2 2 18 100 6 3 1 1 1 1 1 1 1 1 2 1 5 19 11 13 3 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 91 90 s 1H | 88 88 s 1H | 87 87 t 1H J 9 | 80 79 dd 1H J 15 79 | 71 71 td 1H J 14 80 | 71 70 td 1H J 13 80 | 70 69 dd 1H J 13 80 | 46 45 qd 2H J 9 83 | 41 41 dd 4H J 55 64 | 39 39 s 3H | 39 38 dd 4H J 55 65 | 14 13 t 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1OC(C)(C)C(=O)C1Br
ir: 0 1 2 1 1 1 3 4 2 2 3 2 2 2 2 1 1 2 2 2 5 4 2 1 0 1 1 0 0 1 1 1 1 2 2 3 1 1 1 1 1 2 5 1 1 1 1 0 1 1 1 0 1 2 4 1 1 3 1 1 2 2 1 1 2 1 1 0 1 2 1 1 1 1 3 2 2 2 1 7 14 2 1 0 1 1 1 1 1 1 1 1 3 4 3 3 10 13 5 9 7 2 1 1 2 1 0 1 2 2 1 4 4 6 12 4 4 3 5 4 5 2 1 1 2 1 4 7 7 3 1 1 1 1 1 1 1 1 1 2 1 3 100 45 2 1 1 3 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 4 2 2 1 1 1 0 1 2 3 10 11 7 4 19 16 2 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 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 46 46 dq 1H J 15 57 | 41 41 dq 1H J 36 57 | 14 14 s 2H | 13 13 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1ccc(CCCl)nc1)N(C1CCCC1)C1CCCC1
ir: 5 5 7 13 15 3 4 5 2 4 4 3 1 4 4 4 2 3 4 2 1 4 4 4 5 7 9 10 4 3 3 3 5 3 30 15 22 81 100 43 12 11 18 8 9 10 4 1 5 7 5 2 13 29 19 39 13 10 6 5 7 18 8 6 8 11 4 2 6 37 6 7 5 5 3 1 6 12 2 1 4 4 1 1 4 4 5 4 5 10 14 10 12 5 2 2 8 4 2 3 5 8 3 4 7 6 11 14 20 16 19 19 9 8 7 14 16 8 10 12 19 37 13 20 65 78 16 12 6 4 4 9 9 19 31 48 94 30 6 5 7 3 4 8 8 15 23 38 23 15 28 42 22 18 7 9 4 0 5 10 12 29 4 2 2 3 3 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 0 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 2 1 2 3 1 1 2 3 1 2 3 3 1 2 3 3 1 2 3 3 3 4 4 4 3 5 5 5 12 21 11 14 4 8 12 12 11 32 19 17 21 75 14 10 3 4 5 3 1 3 4 2 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 1 1 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3; 1HNMR: 87 87 d 1H J 19 | 80 80 dd 1H J 18 82 | 73 73 dt 1H J 10 84 | 38 38 t 2H J 32 | 38 37 p 2H J 52 | 31 31 td 2H J 9 33 | 21 20 m 4H | 19 16 m 12H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=c1c2c(Cl)cccc2nc(CCl)n1-c1ccccc1Cl
ir: 8 2 1 1 1 9 26 1 6 3 1 1 3 7 2 3 2 1 2 1 8 1 1 7 2 1 0 8 13 5 3 45 2 11 3 3 7 4 3 8 7 32 50 6 7 5 5 3 6 0 100 5 4 9 2 0 1 2 5 1 1 2 1 0 1 2 2 2 4 3 3 2 20 4 10 3 2 1 1 1 1 9 5 3 1 1 1 3 5 1 1 4 3 1 1 3 9 4 1 2 3 2 5 3 2 3 1 2 2 6 6 3 3 5 1 1 1 1 1 2 2 1 1 3 2 2 0 2 2 2 5 2 10 7 2 5 5 13 29 5 5 2 4 19 4 0 22 34 14 3 2 1 4 39 2 2 3 11 56 52 57 3 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4 4 3 2 2 2 1 1 2 13 6 22 51 85 8 8 4 1 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 76 76 dd 1H J 14 74 | 76 75 ddd 2H J 13 74 86 | 74 73 m 3H | 72 71 ddd 1H J 15 75 82 | 44 43 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
ir: 6 4 3 4 5 4 4 2 4 8 10 2 2 3 5 6 4 5 3 1 2 3 1 4 2 1 1 2 2 3 38 15 3 3 2 1 1 2 1 1 2 3 4 4 22 6 1 1 3 9 3 1 2 7 5 5 2 1 1 2 1 2 2 1 2 1 5 9 10 4 3 4 5 4 2 1 3 4 6 13 2 1 2 6 4 18 6 9 21 7 4 15 17 2 2 2 0 19 100 10 9 22 10 4 6 9 4 2 3 2 3 5 2 2 1 1 4 4 1 1 2 7 1 3 3 2 1 4 2 2 2 2 1 4 3 2 1 2 2 2 10 2 3 16 19 7 25 6 42 6 1 2 7 2 21 2 2 66 2 0 5 1 1 0 2 4 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 1 0 0 0 1 0 1 1 0 0 1 0 0 1 1 1 1 1 1 1 1 1 2 2 1 3 3 4 9 26 14 4 4 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 8 13 12 4 1 1 1 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 82 81 dd 1H J 14 98 | 80 80 dd 1H J 16 74 | 78 78 td 1H J 13 72 | 78 77 m 2H | 75 75 m 2H | 58 58 d 1H J 71 | 41 40 dp 1H J 53 71 | 35 34 ddd 2H J 68 93 135 | 34 33 ddd 2H J 67 94 136 | 32 32 s 5H | 23 22 dddd 2H J 51 67 93 119 | 20 19 dddd 2H J 53 68 93 120
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cc2[nH]c(=O)c(=O)[nH]c2cc1Br
ir: 10 4 9 4 6 3 4 3 3 3 3 2 1 3 2 2 3 3 4 2 2 3 3 2 10 5 9 4 14 8 20 4 11 19 18 8 4 7 4 1 3 3 2 1 2 3 2 2 3 3 3 1 2 2 2 1 2 2 2 2 2 2 2 6 3 5 5 5 3 3 4 6 2 2 2 1 2 3 2 5 9 11 7 3 4 2 2 2 2 2 2 2 8 5 4 3 5 5 3 3 2 2 4 2 2 2 1 7 11 6 2 2 2 2 1 2 2 1 1 2 0 4 3 2 2 1 1 2 2 2 1 2 1 2 2 1 2 2 2 2 1 2 2 1 1 2 2 1 1 4 4 2 5 9 14 2 25 61 14 100 4 2 14 6 4 1 1 3 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 2 1 2 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 2 2 2 1 1 2 2 1 2 2 2 2 2 2 4 1 3 2 2 2 3 4 7 5 26 58 46 11 8 2 2 2 3 4 6 2 2 2 2 1 2 1 2 2 11 55 57 18 3 2 2 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 2 1 2 2 2 1 2 2 1 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 79 79 s 2H | 73 73 s 1H | 44 43 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)N1CC(C(=O)O)C(c2ccc(Cl)c(Cl)c2)C1
ir: 3 2 3 9 16 9 7 3 5 12 13 14 11 8 13 9 15 10 11 7 34 29 28 11 10 6 6 1 4 2 2 2 2 2 3 2 1 1 4 2 1 1 1 2 1 1 1 1 1 1 1 1 2 5 4 7 3 1 3 2 2 2 3 2 2 2 2 8 4 1 3 2 1 4 5 11 14 19 100 32 9 5 7 4 4 2 3 3 1 2 3 5 9 4 3 4 2 8 8 4 5 7 5 2 3 9 0 23 6 6 6 3 6 7 6 10 2 2 3 3 2 3 5 4 5 2 2 3 3 4 13 12 6 9 16 2 2 8 3 1 4 7 2 46 13 2 11 4 2 2 11 27 6 3 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 2 2 2 2 4 8 4 5 10 17 5 10 38 3 3 2 2 2 2 3 0 94 41 39 21 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; 1HNMR: 75 74 m 2H | 72 72 m 1H | 41 40 dd 1H J 35 119 | 39 39 dd 1H J 39 114 | 38 38 dd 1H J 35 119 | 37 36 dd 1H J 39 114 | 34 33 m 1H | 32 32 dt 1H J 39 81 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1c2ncc(CCOc3cccc4ncccc34)cc2C(=O)Nc2c(C)cc(Cl)nc21
ir: 2 1 2 3 2 4 3 3 4 2 6 3 4 4 7 2 3 3 4 5 6 15 13 43 11 12 5 6 7 5 3 5 10 20 11 5 8 12 15 9 15 34 7 13 43 23 10 8 3 1 4 10 42 17 4 2 5 6 3 6 2 4 4 8 11 10 5 7 4 5 8 3 3 11 2 2 2 3 6 20 23 15 2 1 3 8 5 3 2 2 1 6 6 3 3 4 5 5 3 8 9 3 2 2 4 26 3 3 7 14 7 5 6 9 3 3 3 3 3 3 3 7 9 10 9 8 2 3 3 2 5 12 12 9 3 2 3 2 58 7 3 9 65 34 78 8 8 10 9 2 2 51 13 1 28 6 8 53 8 48 10 22 2 4 13 3 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 2 2 0 1 3 2 2 1 3 2 2 2 3 3 8 14 9 11 100 32 12 8 5 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 2 3 26 43 28 10 2 1 2 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 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; 1HNMR: 97 97 s 1H | 89 88 dd 1H J 21 41 | 85 84 dd 1H J 20 77 | 84 83 dt 1H J 9 17 | 80 79 dt 1H J 9 17 | 78 77 dt 1H J 8 75 | 74 73 m 2H | 71 70 m 1H | 69 68 s 1H | 44 43 q 2H J 82 | 43 42 t 2H J 63 | 33 32 tt 2H J 9 62 | 24 24 s 2H | 13 12 t 3H J 82
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(-c3cnn(CCO)c3)nn12
ir: 9 14 10 9 25 18 32 27 14 17 10 10 6 3 5 5 18 9 14 4 6 3 2 4 2 7 16 53 36 4 3 7 2 4 2 1 2 2 3 15 35 3 4 5 2 2 2 1 3 10 13 4 2 4 3 4 10 67 56 14 6 4 4 11 8 6 8 6 69 35 21 12 5 1 5 5 2 2 5 4 3 4 14 19 9 8 6 18 23 46 30 43 36 34 15 13 19 13 6 16 4 3 4 2 2 3 5 2 3 4 1 5 8 13 12 4 3 4 4 5 6 6 5 8 8 4 3 8 17 15 7 7 15 6 3 3 6 3 22 7 4 9 21 56 21 3 2 1 2 4 9 16 10 19 10 14 18 28 7 2 1 2 2 2 23 100 4 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 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 2 3 1 2 4 3 4 5 7 12 11 9 43 48 43 31 41 14 8 22 12 2 2 3 2 2 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 88 88 dd 1H J 21 41 | 84 83 ddd 1H J 20 40 87 | 80 80 s 1H | 79 78 d 1H J 88 | 77 76 m 2H | 75 74 m 2H | 73 73 s 1H | 50 49 m 1H | 41 41 td 2H J 8 34 | 40 39 dt 2H J 34 60 | 26 25 t 1H J 60 | 17 17 d 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1nc(C)sc1-c1ccc(C#N)cc1
ir: 16 10 4 11 34 14 11 21 11 6 1 16 8 3 1 6 11 5 2 6 7 2 1 11 12 22 9 12 7 6 4 7 12 32 12 10 7 7 11 9 8 0 3 9 7 2 3 9 17 11 4 8 6 5 7 100 65 94 17 27 9 4 11 28 15 5 7 15 8 17 6 9 6 2 7 7 6 2 6 7 3 8 17 25 31 4 8 21 7 16 36 16 15 13 9 5 9 13 25 6 3 3 6 5 1 3 7 6 8 5 7 5 5 18 16 4 1 5 8 5 2 5 9 6 9 25 27 6 3 10 11 4 35 42 8 3 1 5 6 3 3 6 8 9 35 32 14 79 23 4 5 6 24 30 5 2 5 7 4 1 3 6 4 1 3 6 4 0 3 6 3 0 3 6 3 0 4 6 3 0 4 6 24 4 4 5 3 2 5 6 3 2 4 5 2 2 5 5 2 2 5 5 2 2 5 5 1 2 5 4 1 2 5 4 1 3 6 4 1 3 6 4 1 3 6 3 0 3 6 3 0 3 6 3 1 4 6 3 1 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 2 5 6 4 2 3 7 5 1 4 7 5 3 4 11 9 16 38 89 32 20 13 12 14 9 4 7 6 7 7 6 3 2 4 5 3 2 4 5 3 2 5 5 2 2 5 5 2 2 5 4 2 2 5 4 2 3 5 4 1 3 5 4 1 3 5 4 1 3 5 3 1 3 6 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 3 2 4 5 2 2 4 5 2 2 4 4 2 2 4 4 2 2 5 4 2 3 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1; 1HNMR: 78 78 m 2H | 78 77 m 2H | 39 39 s 3H | 29 29 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cnc2cccc(C)n12
ir: 2 2 4 2 1 2 3 2 1 3 6 2 2 5 3 3 3 3 10 3 11 14 5 2 1 2 3 2 3 3 3 1 2 4 7 14 6 6 4 1 3 6 3 2 2 6 6 7 16 8 25 12 4 4 3 1 2 3 3 4 5 3 4 2 2 3 2 3 9 9 5 11 16 20 6 69 20 5 4 5 3 3 2 2 4 4 15 18 4 3 3 15 27 12 3 3 4 14 23 3 3 3 1 3 11 4 2 10 28 10 1 7 6 21 15 9 36 20 5 15 7 8 5 6 11 3 2 3 8 4 2 8 11 7 5 3 23 33 32 32 13 5 2 6 10 13 8 5 7 39 1 4 3 2 1 4 3 1 2 3 2 17 27 7 3 2 7 5 3 0 2 4 13 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 3 3 1 1 2 3 1 1 2 3 1 1 3 2 1 1 3 2 1 1 3 2 1 1 3 2 0 1 3 2 1 2 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 3 1 1 2 3 1 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 4 3 1 3 9 9 11 6 6 5 6 5 9 6 5 10 11 17 36 53 100 84 65 21 12 11 8 3 2 3 3 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 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 1 1 2 2 1 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; 1HNMR: 83 83 s 1H | 77 77 dd 1H J 13 77 | 75 75 dd 1H J 66 77 | 67 67 dp 1H J 14 66 | 43 43 q 2H J 64 | 25 25 d 3H J 14 | 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.
CCCC1C=Cc2c(c(F)c(F)c3oc(C)cc23)O1
ir: 27 15 0 18 28 12 0 15 27 15 1 16 26 11 4 17 22 12 9 19 24 9 7 18 20 9 14 26 21 10 7 20 27 47 12 25 62 28 12 35 47 35 51 25 15 8 15 24 21 6 12 24 21 8 12 27 13 2 13 24 13 3 26 23 14 22 21 26 24 15 25 26 16 7 19 23 23 37 18 23 15 31 20 21 8 9 26 22 8 8 20 18 7 8 21 17 18 20 50 39 6 10 24 18 8 20 48 32 6 17 36 18 4 29 41 15 9 43 28 19 13 20 29 14 6 18 22 12 4 17 22 9 10 20 21 10 5 19 31 59 60 24 17 8 14 20 18 7 13 49 17 6 24 22 15 4 22 20 14 3 10 23 54 4 11 22 13 2 11 22 12 2 13 22 12 3 13 22 11 3 14 21 10 4 14 20 9 5 15 19 9 5 16 18 8 6 17 18 8 7 17 17 7 8 18 16 6 8 19 16 5 9 19 15 5 10 20 14 4 11 21 13 3 12 21 13 3 12 22 12 3 13 22 11 3 13 20 10 4 14 20 10 5 15 19 9 6 16 18 9 7 16 17 8 7 17 17 8 8 18 16 7 9 19 16 6 10 19 16 8 15 23 16 11 14 30 20 9 20 34 31 10 19 50 37 44 100 45 91 53 18 27 19 6 17 20 11 6 14 19 10 6 15 18 9 7 15 17 9 7 15 17 8 8 16 16 8 9 17 15 7 9 17 15 6 10 18 14 6 10 18 13 5 11 19 13 5 11 19 12 4 12 20 12 4 12 19 11 5 13 19 11 6 13 18 10 6 14 17 10 7 14 17 9 7 15 16 9 8 15 16 8 8 16 15 8 9 16 15 7 10 17 14 7 10 17 14 6 11 18 13 6 11 18 13 6 12 19 12 5; 1HNMR: 69 69 dd 1H J 16 101 | 66 66 s 1H | 58 57 ddt 1H J 9 58 101 | 49 48 qd 1H J 18 52 | 24 24 s 2H | 19 18 dtdd 1H J 9 51 68 128 | 17 16 dtdd 1H J 9 51 68 128 | 15 13 dddd 2H J 69 127 139 588 | 10 9 t 3H J 71
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccn(-c2c(C)cccc2C)c1
ir: 10 11 11 8 11 6 7 8 11 8 7 9 14 5 3 8 10 8 6 12 10 4 4 16 26 8 6 8 8 7 6 8 13 83 22 16 12 3 7 16 11 2 6 15 17 18 76 22 9 3 10 65 86 3 6 11 6 0 7 12 6 3 9 13 20 40 88 35 19 8 23 18 11 3 8 10 6 5 29 13 11 7 8 8 4 3 8 8 4 4 10 9 32 49 11 8 5 6 13 13 8 7 13 20 12 9 12 20 12 9 13 8 4 15 22 7 5 9 20 15 9 13 15 22 20 15 86 31 3 10 11 5 3 8 10 10 8 25 28 25 53 49 26 5 5 30 87 95 37 11 7 5 5 8 7 4 6 10 9 11 8 9 6 2 5 9 6 2 5 9 5 2 6 9 5 3 6 9 5 3 6 9 5 3 6 9 4 3 6 8 4 3 7 8 4 4 7 7 4 3 7 7 3 4 8 7 3 4 8 7 3 4 8 6 3 4 8 6 2 5 8 6 2 5 9 6 2 5 9 6 2 6 9 5 2 6 9 5 3 6 8 5 3 6 8 4 3 7 8 4 3 7 7 4 3 7 7 4 4 7 7 4 4 7 7 3 5 8 10 7 12 10 7 5 6 9 10 8 9 12 13 7 15 46 55 16 31 68 100 36 97 73 23 7 11 18 8 3 7 9 5 3 7 8 4 3 7 8 4 3 7 7 4 3 7 7 3 4 7 7 3 4 7 6 3 4 8 6 3 5 8 6 3 5 8 6 2 5 8 5 2 5 8 5 2 5 8 5 2 6 8 5 3 6 8 5 3 6 7 4 3 6 7 4 3 7 7 4 4 7 7 4 4 7 7 4 4 7 6 3 4 7 6 3 5 7 6 3 5 8 6 3 5 8 6 3 5 8 5 2; 1HNMR: 76 76 t 1H J 17 | 76 75 dd 1H J 17 49 | 72 71 m 4H | 70 70 dd 1H J 17 49 | 25 25 s 3H | 22 21 d 5H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OC1CCN(C(=O)[C@@H](C)O)CC1
ir: 38 9 15 15 14 23 15 9 7 7 14 8 3 5 4 6 12 4 7 4 14 9 14 30 46 33 39 21 7 8 13 4 6 14 23 38 25 9 15 6 6 19 9 5 4 8 4 1 20 9 76 17 8 5 7 10 6 5 3 2 5 2 4 4 3 6 11 18 22 20 10 8 9 3 6 9 4 9 6 6 3 3 8 5 16 11 25 43 29 64 72 15 9 0 6 9 4 8 66 26 10 3 7 5 25 31 9 9 12 15 16 3 5 4 5 3 6 7 15 6 6 3 5 6 9 11 9 7 5 3 4 2 3 2 2 4 9 8 9 6 52 17 6 7 7 68 92 80 21 6 2 7 31 11 39 25 30 46 14 3 5 30 53 11 4 5 3 23 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 1 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 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 2 5 3 3 4 3 3 3 5 6 9 20 7 19 64 55 21 11 3 7 8 24 12 10 2 2 2 1 2 1 1 4 2 4 5 19 8 9 33 28 100 96 44 7 3 3 1 1 1 1 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; 1HNMR: 100 99 s 1H | 87 86 s 1H | 82 82 m 1H | 78 77 ddd 1H J 22 33 53 | 76 76 s 1H | 73 72 m 2H | 72 71 s 1H | 46 45 p 1H J 45 | 42 41 m 2H | 39 38 s 2H | 37 37 ddd 2H J 57 84 121 | 34 33 ddd 2H J 59 86 123 | 23 22 dddd 2H J 45 58 84 130 | 21 20 dddd 2H J 45 58 86 131 | 14 13 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nccc(/C=C2\NC(=O)NC2=O)n1
ir: 9 3 2 2 2 2 1 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 4 2 8 4 2 2 2 2 3 2 2 2 3 3 5 2 2 2 2 2 4 4 11 33 38 4 3 5 45 11 2 2 2 2 3 5 4 2 2 2 2 2 3 2 2 3 1 2 2 2 3 10 2 2 2 2 2 2 2 2 2 2 2 2 2 4 2 2 2 2 2 2 2 2 2 2 2 2 2 7 2 2 2 2 2 2 2 3 8 3 2 6 9 4 10 25 8 2 3 1 2 7 14 5 3 2 2 2 3 13 7 4 2 2 2 2 2 2 26 2 2 2 2 2 10 4 2 4 2 2 8 14 2 2 2 2 2 2 34 11 7 6 100 13 0 2 3 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 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 6 4 10 5 4 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 21 55 12 7 6 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; 1HNMR: 93 93 s 1H | 84 84 d 1H J 46 | 74 74 s 1H | 73 73 d 1H J 46 | 26 25 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1nn(-c2cccc(F)n2)c(=O)o1
ir: 2 4 4 5 22 8 17 1 1 1 2 1 0 2 1 0 1 6 11 11 3 3 1 1 1 1 1 4 9 14 2 1 0 1 6 7 3 1 0 0 1 1 0 2 1 3 57 61 10 7 10 2 1 1 1 1 0 1 1 0 2 5 4 3 6 6 1 2 1 5 2 1 0 0 1 1 6 5 11 12 7 3 2 2 1 1 6 4 2 1 0 3 4 1 1 1 1 1 0 1 1 4 2 1 0 4 1 1 1 0 0 1 2 5 11 2 1 1 2 5 4 4 3 19 6 8 19 17 1 5 2 3 3 1 1 1 2 54 100 54 4 3 5 4 3 20 0 1 1 1 1 2 75 4 19 6 29 58 8 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 1 1 1 1 1 2 1 1 1 1 1 1 1 0 1 1 4 6 11 7 7 23 21 2 2 2 1 1 1 0 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 77 77 dd 1H J 12 63 | 76 75 ddd 1H J 49 64 77 | 70 69 ddd 1H J 11 77 101 | 13 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(c1cccc(O)c1)c1nn(C2CCCC2)c2ccccc12
ir: 4 4 4 19 9 5 3 9 7 3 4 7 7 4 1 5 5 3 2 38 13 13 16 5 4 3 2 4 5 2 3 3 5 2 9 9 3 1 2 5 6 17 14 20 60 38 13 5 9 12 5 5 3 1 2 5 2 1 3 6 3 1 3 4 3 2 3 9 14 18 14 4 3 2 4 4 7 13 15 47 33 16 23 38 100 12 6 6 1 2 5 6 2 5 6 4 1 2 4 4 5 2 5 3 4 6 16 8 5 12 10 10 13 9 8 7 4 4 5 3 8 12 5 5 13 28 39 23 8 5 5 8 4 4 4 2 2 3 50 27 4 44 8 5 5 9 4 2 2 10 3 1 5 7 3 1 8 4 3 0 3 7 6 0 2 4 2 1 2 4 2 0 2 4 2 0 2 4 2 0 3 3 2 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 3 1 1 3 2 0 2 4 2 0 2 3 2 0 2 4 2 0 2 4 2 0 2 3 2 0 2 3 2 1 2 3 1 1 2 3 1 1 3 3 1 1 3 3 1 1 3 3 1 2 3 3 1 2 4 3 1 2 6 3 3 3 6 5 6 4 6 5 2 7 7 8 6 22 78 94 22 13 2 4 6 23 39 10 4 4 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 4 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 1 1 2 3 1 1 2 3 1 1 2 2 1 1 3 2 1 1 3 2 1 1 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1; 1HNMR: 85 85 m 1H | 77 76 m 1H | 76 75 ddd 1H J 11 20 75 | 76 75 s 1H | 75 74 m 3H | 72 72 t 1H J 22 | 70 69 ddd 1H J 13 22 84 | 53 52 p 1H J 25 | 22 21 m 2H | 20 19 m 4H | 18 17 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1c(C)c(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)nn1C
ir: 3 2 1 1 1 4 1 2 6 3 0 2 4 5 13 9 1 4 9 2 2 1 3 12 4 2 5 3 1 8 2 1 1 3 1 5 16 3 5 4 2 3 1 3 4 14 5 14 11 3 2 1 1 2 15 18 6 4 1 0 1 1 1 1 3 4 2 9 8 3 5 4 3 2 3 3 3 2 1 1 1 2 1 3 1 2 16 3 1 3 1 3 9 2 1 1 2 1 2 2 5 6 4 1 1 1 1 2 2 2 2 7 2 3 2 2 4 3 2 2 2 5 2 3 3 2 4 4 5 5 3 2 2 5 7 11 11 5 5 21 18 3 9 8 2 3 3 1 3 9 1 3 3 2 2 1 12 100 3 9 1 0 1 4 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 3 3 2 1 1 1 2 4 3 1 1 2 4 3 6 17 16 18 46 24 7 3 2 1 1 2 1 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 dd 1H J 21 89 | 75 74 dd 1H J 12 67 | 74 73 dd 1H J 7 22 | 73 72 dd 1H J 68 80 | 69 69 m 1H | 69 68 d 1H J 89 | 53 53 s 2H | 43 42 q 2H J 58 | 37 37 s 3H | 36 36 s 3H | 23 23 d 3H J 7 | 22 22 s 3H | 21 21 s 3H | 14 13 t 3H J 58
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cc2c(cc1Cl)NC(=O)CC(c1cccc(-c3cncnc3)c1)=N2
ir: 0 1 3 6 3 3 4 5 5 8 5 2 3 5 5 1 2 2 3 2 4 9 8 3 6 7 12 8 4 4 9 9 30 22 51 100 28 27 13 6 3 3 2 5 4 7 9 17 12 8 2 3 5 6 2 2 5 6 2 0 2 4 4 1 3 4 6 8 17 7 8 3 5 3 3 2 1 4 2 3 7 3 2 1 2 2 1 1 1 1 4 2 2 2 4 1 2 2 9 9 12 8 2 1 2 2 1 2 2 22 54 16 10 13 1 3 6 11 4 6 3 6 1 3 4 3 2 4 5 5 5 7 19 20 4 7 3 2 2 3 6 2 8 5 5 1 1 3 2 3 27 17 8 15 23 50 16 8 6 4 3 2 13 4 4 6 1 2 1 0 1 2 1 0 1 2 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 1 2 2 0 2 2 2 3 5 5 2 1 2 2 3 1 13 28 25 31 20 6 3 2 2 3 2 1 2 2 1 1 2 2 1 1 2 3 3 6 4 7 14 30 20 13 7 5 2 2 2 1 2 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 92 91 m 2H | 91 91 d 2H J 16 | 81 80 t 1H J 22 | 78 78 ddd 1H J 12 22 73 | 77 77 ddd 1H J 11 22 82 | 77 76 s 1H | 75 75 dd 1H J 73 83 | 72 72 m 1H | 38 38 s 2H | 24 23 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cn1c(=O)oc2cc(C(O)CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21
ir: 7 6 4 2 3 2 2 2 1 2 3 15 11 9 3 1 2 3 3 3 4 3 7 5 9 9 16 9 23 7 19 11 15 5 2 4 2 3 2 1 2 3 1 3 3 2 1 10 8 3 1 4 2 4 13 4 4 2 2 7 5 4 2 4 2 3 14 18 9 6 12 2 2 4 4 16 1 1 3 7 13 7 5 13 23 4 2 3 8 8 0 4 11 11 24 29 3 16 16 19 8 21 14 3 3 3 3 3 11 12 8 5 7 15 5 2 9 8 10 8 7 11 12 6 2 4 2 7 14 9 5 6 6 6 3 5 1 1 1 1 5 13 3 4 2 2 1 1 0 2 3 5 22 31 1 2 12 0 1 1 1 0 5 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 1 1 1 1 1 0 1 1 1 1 1 0 1 1 1 1 0 0 0 0 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 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 2 1 1 2 2 2 3 8 5 17 100 16 19 14 16 6 2 1 2 1 1 1 1 1 0 1 1 1 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 75 75 d 1H J 86 | 75 74 m 1H | 72 72 m 3H | 72 71 m 2H | 48 48 m 1H | 35 34 s 2H | 33 32 m 4H | 31 31 d 1H J 55 | 28 27 m 4H | 27 26 dt 1H J 88 123 | 26 25 dt 1H J 88 123 | 22 21 dtd 1H J 59 88 134 | 19 18 dtd 1H J 58 87 134
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOc1ccc(C(O)c2ccccc2)c(F)c1F
ir: 4 4 3 3 5 5 3 3 5 3 4 6 6 5 3 5 5 4 3 3 3 3 3 4 5 3 8 7 11 5 5 6 11 6 7 11 24 12 11 8 7 16 22 8 5 4 5 5 4 4 3 3 7 7 8 16 16 0 5 10 5 3 7 4 8 5 4 8 13 9 8 5 5 9 10 11 9 5 11 5 6 5 5 5 10 19 72 70 17 14 20 17 7 6 3 3 4 5 7 4 3 4 6 5 3 4 3 3 4 3 4 3 3 4 6 6 7 8 6 4 5 7 8 8 4 9 5 6 6 7 4 4 5 4 9 28 7 4 3 3 4 5 9 22 14 15 6 4 2 3 3 5 22 5 4 3 3 2 3 17 12 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 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 3 3 3 4 4 3 3 3 4 3 4 5 3 3 4 6 6 10 14 17 38 100 26 14 11 5 8 6 11 44 17 4 3 3 3 2 3 3 2 2 3 3 2 2 2 3 2 2 3 2 3 2 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 74 73 m 5H | 72 72 m 1H | 68 67 dd 1H J 48 89 | 60 60 dd 1H J 17 50 | 42 41 q 2H J 63 | 30 29 d 1H J 49 | 15 14 t 3H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(NC(=O)OC(C)(C)C)C(=O)O
ir: 1 3 5 1 6 1 6 3 5 13 10 20 12 5 14 16 11 18 16 13 17 100 48 30 5 13 16 8 10 6 69 44 24 15 15 8 6 5 4 6 5 10 4 3 3 3 1 2 3 2 1 1 1 2 1 1 3 2 2 2 1 2 4 5 5 4 1 1 1 1 3 1 2 4 4 9 6 11 23 44 59 11 6 5 5 3 7 9 3 2 1 1 2 1 1 4 5 4 4 3 1 1 0 1 2 1 2 4 5 11 2 2 4 3 2 4 3 3 1 15 28 17 40 13 26 5 5 2 2 10 7 4 1 1 1 1 2 2 3 5 3 2 12 24 42 90 23 4 3 29 29 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 1 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 1 1 1 2 1 1 1 2 3 2 1 4 1 7 8 6 13 15 7 2 0 2 1 1 0 1 0 1 2 61 100 14 2 2 2 0 0 0 1 0 0 3 4 13 28 64 39 9 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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: 65 64 d 1H J 82 | 42 41 dt 1H J 62 82 | 18 17 dtd 1H J 63 90 140 | 16 15 m 1H | 15 12 m 4H | 14 14 s 8H | 9 8 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(C(CCN2CC3CCC2CC3)(c2ccncc2)c2nnn[nH]2)cc1
ir: 4 2 4 7 3 3 2 4 6 6 2 2 4 4 6 2 3 11 7 4 3 1 2 11 3 1 1 3 4 7 3 6 25 9 11 5 3 1 2 10 12 4 12 11 7 5 12 41 19 4 3 3 6 2 2 5 4 2 3 4 3 0 2 4 6 0 8 5 7 2 7 20 21 6 4 5 3 2 3 4 3 14 15 7 7 2 3 3 4 5 6 6 2 2 8 5 4 3 3 3 1 2 3 6 6 4 4 5 2 7 3 13 5 4 5 5 4 4 5 3 4 4 5 3 5 7 6 4 2 3 4 2 2 10 5 13 4 4 4 3 4 5 4 4 4 9 7 2 8 6 6 5 100 34 7 1 1 4 2 2 10 13 7 2 2 3 2 1 2 3 2 0 2 3 2 0 2 3 1 1 2 3 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 1 2 3 2 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 1 3 3 3 2 2 3 3 5 5 4 11 4 19 55 31 4 5 4 3 0 2 3 1 1 2 3 6 2 2 3 1 1 2 3 1 3 4 8 33 26 10 23 12 10 4 3 2 2 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 3 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1; 1HNMR: 86 86 m 2H | 76 76 m 2H | 76 75 m 2H | 75 74 ddt 1H J 14 60 79 | 74 73 m 2H | 29 28 dt 1H J 72 125 | 28 28 m 2H | 28 28 s 1H | 28 27 m 1H | 25 24 dt 1H J 72 148 | 23 22 dt 1H J 73 147 | 18 17 m 6H | 15 14 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccccc1C=NO
ir: 62 100 31 54 64 27 41 58 58 39 51 22 4 15 18 39 42 32 19 10 12 14 8 9 13 9 7 8 3 2 3 5 2 10 6 8 8 3 10 27 29 66 60 51 11 5 5 6 7 7 12 9 4 1 3 3 3 3 4 2 2 2 2 5 3 10 19 12 18 21 21 20 38 38 72 54 69 18 19 14 23 15 18 20 7 8 4 6 7 14 20 28 9 21 57 32 18 41 49 56 87 32 12 6 5 6 13 3 4 8 15 10 19 27 10 9 7 4 2 3 0 2 3 1 1 2 4 2 1 3 3 2 0 3 4 19 38 27 30 42 10 1 1 5 4 3 6 26 28 34 11 7 4 9 7 3 6 3 3 3 7 11 4 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 1 0 1 1 0 0 0 1 0 1 1 1 1 1 0 1 0 1 1 1 1 1 1 1 0 0 0 1 0 0 1 0 1 1 1 1 1 2 1 1 1 1 1 1 0 0 1 1 0 0 0 1 1 1 1 1 1 1 1 1 3 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 2 1 1 2 2 1 1 1 2 2 1 3 3 5 10 16 36 45 71 68 9 14 7 8 3 9 14 29 3 5 6 2 4 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 96 96 s 1H | 83 83 s 1H | 75 74 dd 1H J 14 74 | 74 73 td 1H J 16 72 | 73 72 m 2H | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nc(Cl)ncc1C
ir: 2 4 5 3 2 4 10 3 2 4 5 3 2 5 6 4 2 4 4 3 3 4 5 3 3 5 6 3 3 5 4 4 8 7 24 22 55 21 35 10 6 5 4 2 3 4 4 2 3 5 4 3 8 8 5 3 4 6 4 3 4 5 3 2 4 5 4 3 5 7 4 3 4 5 3 3 4 4 3 2 4 4 3 3 4 4 3 3 5 6 3 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 4 7 6 4 4 6 5 8 10 5 7 5 5 7 4 4 13 16 4 2 6 14 6 6 6 5 3 2 5 6 1 0 38 100 4 3 32 10 13 6 2 2 4 4 3 3 4 4 4 4 10 4 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 4 3 4 4 4 4 4 4 6 12 13 5 4 3 4 4 3 3 4 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4 3 3 3 4; 1HNMR: 82 81 s 1H | 26 26 s 3H | 24 23 d 3H J 7
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1nc(Cl)cc(-c2ccccn2)n1
ir: 3 2 1 14 13 2 1 2 2 1 1 2 2 2 4 2 2 2 7 2 2 2 2 2 2 1 1 9 6 1 3 4 2 2 2 2 2 2 4 29 16 0 1 4 15 3 3 4 3 0 2 3 2 1 8 12 3 1 2 3 2 1 2 10 9 8 31 24 8 12 4 3 2 2 6 9 6 5 15 11 3 6 7 3 1 1 3 2 1 1 2 2 1 1 3 2 1 2 3 2 1 2 3 2 2 2 3 2 0 1 3 2 0 2 3 2 0 2 3 3 1 2 3 2 2 6 5 2 1 3 4 2 1 4 8 51 18 5 3 1 2 3 100 31 4 8 2 1 4 13 3 1 2 9 66 15 1 2 2 2 2 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 2 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 2 3 2 2 2 3 3 2 2 3 3 2 3 3 3 6 14 40 25 1 2 4 2 1 2 3 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1; 1HNMR: 89 89 dd 1H J 17 40 | 84 84 dd 1H J 14 83 | 82 81 s 1H | 81 80 ddd 1H J 17 72 85 | 73 73 ddd 1H J 15 40 71 | 27 27 s 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(C#Cc3ccccc3F)cc2N1
ir: 1 2 1 1 2 4 10 2 4 2 1 4 1 2 1 1 1 2 1 0 2 1 0 2 4 4 3 2 3 2 2 5 5 3 9 5 3 1 1 1 1 12 3 5 2 1 2 5 3 3 11 3 3 2 1 3 3 2 1 1 1 15 1 1 1 2 5 3 4 8 4 1 1 1 3 4 4 1 1 1 2 5 2 1 1 2 1 0 1 3 2 1 4 10 2 3 3 11 3 2 5 4 10 6 3 1 1 3 3 0 0 0 1 2 2 2 6 4 1 2 3 2 3 3 1 4 3 1 1 1 2 9 2 1 1 2 12 8 1 2 5 2 1 3 7 1 1 2 20 7 3 9 2 0 2 19 12 4 2 1 1 1 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 3 3 1 1 1 1 3 9 6 5 12 67 100 22 7 2 2 2 1 0 1 1 0 0 0 1 0 0 0 1 1 2 1 1 4 8 5 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; 1HNMR: 88 88 s 1H | 84 83 t 1H J 17 | 81 81 d 1H J 22 | 80 80 dd 1H J 16 38 | 78 77 m 2H | 77 77 ddd 1H J 13 22 68 | 75 73 m 5H | 73 72 m 2H | 72 71 ddd 1H J 14 78 103 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(c2ccc(Br)cc2)C1
ir: 4 6 7 10 13 11 9 6 7 5 45 44 7 9 7 7 6 14 11 8 3 3 3 3 3 3 4 3 3 2 2 3 3 6 5 9 4 4 6 6 6 1 2 5 5 2 3 4 3 3 3 18 14 15 47 21 7 3 3 6 12 4 4 5 4 6 4 0 35 10 2 45 3 2 3 4 2 2 3 4 2 2 5 7 40 8 26 41 20 3 4 4 13 9 6 4 3 7 9 6 10 27 10 18 24 61 27 6 0 4 6 3 0 6 6 5 3 11 8 8 4 16 8 27 8 5 10 12 8 15 14 18 8 8 5 6 14 4 5 2 1 4 4 2 1 7 21 8 2 8 16 100 22 2 2 3 3 3 2 2 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 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 3 2 4 6 4 2 9 15 7 4 3 6 7 7 5 10 39 4 8 55 11 6 4 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 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 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 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2; 1HNMR: 75 75 m 2H | 73 73 m 2H | 48 47 m 1H | 42 42 dd 1H J 63 127 | 40 39 dd 1H J 63 127 | 38 37 m 2H | 36 35 ddd 1H J 55 79 141 | 35 34 ddd 1H J 56 75 139 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1nc2ccc(-c3ccoc3)cn2n1)c1cccnc1
ir: 0 7 7 11 8 7 7 7 7 7 6 9 7 7 8 8 6 7 7 6 6 6 7 7 7 7 9 10 9 8 10 9 9 8 22 11 10 13 24 9 7 8 23 13 8 10 9 7 13 8 8 9 8 16 15 12 18 100 16 20 19 10 10 12 9 9 24 8 8 10 11 7 7 6 7 8 31 14 9 12 9 16 7 9 7 8 6 6 12 7 6 7 6 7 7 7 12 12 6 6 7 6 6 6 7 6 6 6 7 7 7 8 8 29 6 7 8 7 7 17 8 11 22 7 7 10 8 7 7 7 6 6 7 7 20 7 5 19 45 8 47 7 6 10 19 14 19 16 18 13 8 23 62 16 9 26 20 14 7 9 18 11 8 9 7 5 7 8 6 5 6 7 6 5 6 7 6 5 6 7 6 5 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 7 6 7 7 8 6 7 8 12 11 31 43 17 10 16 9 7 6 7 7 7 6 7 7 6 7 8 8 7 10 12 11 7 15 34 26 8 10 9 8 7 7 7 7 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7 6 6 6 7; 1HNMR: 92 91 t 1H J 17 | 87 87 m 2H | 82 82 dt 1H J 23 79 | 81 80 dd 1H J 15 90 | 78 78 d 1H J 90 | 76 76 dd 1H J 9 16 | 76 75 t 1H J 13 | 75 74 dd 1H J 48 79 | 65 65 t 1H J 10
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1ccc(OCC(=O)O)cc1
ir: 0 1 2 5 7 5 2 2 2 4 4 3 2 16 10 6 4 5 6 7 24 31 22 14 17 3 3 1 1 2 4 7 2 2 3 1 4 13 2 0 1 1 1 0 1 2 4 1 2 3 5 5 3 4 2 3 18 7 1 0 1 2 1 0 1 3 3 5 4 10 2 0 1 2 1 2 3 7 21 64 49 14 2 3 3 3 2 1 4 1 1 1 2 2 4 2 4 3 3 3 4 2 1 1 2 1 0 1 1 1 0 1 1 1 0 1 2 1 1 2 10 2 2 3 3 5 8 5 3 7 5 2 2 1 1 1 1 1 1 1 1 3 13 30 16 1 52 5 4 2 1 6 14 5 1 1 1 0 1 1 7 0 1 1 1 0 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 1 18 2 0 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 2 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 2 6 18 100 8 4 2 3 3 2 1 1 25 3 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 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: 77 76 m 2H | 71 70 m 2H | 47 46 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1ccc(O)cc1)c1ccco1
ir: 3 2 2 2 7 11 4 4 5 2 5 6 4 3 1 2 2 2 1 2 2 1 1 2 2 1 2 3 2 4 6 2 3 5 1 3 5 23 2 3 2 0 2 6 3 3 5 3 3 3 3 4 3 1 5 10 11 9 5 3 2 0 1 3 2 2 5 7 9 10 3 2 2 1 2 2 1 1 4 7 4 8 14 18 3 3 3 4 3 3 6 5 5 1 6 3 2 1 2 2 1 1 4 6 18 2 3 2 1 1 2 1 1 1 3 1 0 1 3 3 6 13 5 2 0 3 3 2 1 2 2 1 1 1 2 1 1 2 3 1 6 2 4 20 2 2 3 2 8 18 16 11 6 24 5 5 2 3 2 1 1 2 2 1 2 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 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 2 1 3 5 6 2 2 2 3 1 2 3 2 1 2 2 2 1 2 2 3 9 14 17 15 8 38 8 7 10 14 100 55 10 5 2 1 2 2 2 1 2 1 3 3 4 12 29 19 5 3 2 1 2 2 2 1 2 2 4 3 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 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0; 1HNMR: 89 88 s 1H | 80 79 t 1H J 16 | 77 77 s 1H | 74 73 dd 1H J 16 51 | 73 73 m 2H | 68 68 m 2H | 67 67 dd 1H J 15 51
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1c(-c2ccc(OCc3ccc(S(C)(=O)=O)cc3)cc2)noc1C
ir: 5 1 1 2 2 3 2 3 8 26 14 3 8 7 13 6 11 4 2 1 1 1 1 2 1 1 2 2 2 1 2 1 2 2 7 9 11 8 3 2 1 1 1 1 1 1 2 2 2 1 4 15 4 7 28 3 13 8 4 5 2 4 1 3 5 13 54 7 3 25 2 2 1 2 4 2 3 1 1 2 1 3 32 3 2 20 17 11 14 23 100 79 47 22 39 8 3 4 1 7 2 14 3 2 9 2 1 1 2 4 0 1 3 1 5 4 6 6 3 8 4 3 9 38 32 28 8 8 4 1 1 1 1 0 0 7 1 0 0 1 1 1 0 1 2 4 2 9 12 6 5 1 5 1 0 1 1 1 1 0 0 3 1 1 0 0 0 0 0 0 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 0 1 1 1 4 1 1 1 1 1 2 2 3 4 2 3 5 29 54 13 24 49 20 4 3 3 1 5 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 78 77 m 2H | 77 76 m 2H | 74 74 dt 2H J 9 90 | 71 71 m 2H | 51 50 d 2H J 9 | 44 43 q 2H J 64 | 33 32 s 2H | 28 27 s 2H | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)S(=O)(=O)Cc1cccc(Nc2ncnc(Cl)n2)c1
ir: 3 3 2 2 5 23 14 6 1 4 2 1 3 6 4 1 4 16 12 5 9 4 4 1 1 2 2 2 3 5 2 8 3 2 1 1 1 4 2 2 1 6 2 2 1 2 2 3 9 2 2 2 2 9 14 47 32 19 13 4 2 8 3 1 1 2 1 4 8 27 5 3 1 1 1 1 1 1 1 2 3 1 1 2 5 19 4 2 3 4 8 3 3 18 5 5 6 2 1 1 1 1 1 3 8 4 6 1 2 3 0 40 4 1 2 1 0 2 1 4 2 3 2 2 3 5 8 7 10 3 2 2 2 1 1 1 2 27 3 2 5 8 10 49 2 4 3 9 100 13 2 6 11 12 10 82 20 4 2 2 1 1 4 42 4 2 1 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1 1 1 1 1 3 1 1 0 1 1 3 5 4 10 3 16 12 4 2 2 1 1 0 1 1 1 1 1 1 1 1 4 1 1 1 1 2 3 6 11 8 24 14 5 5 1 2 1 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 86 s 1H | 85 84 s 1H | 75 74 ddd 1H J 13 22 79 | 74 73 m 2H | 72 72 ddq 1H J 9 20 77 | 44 44 t 2H J 9 | 12 12 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)OC(=O)n1nc(-c2ccncc2)c2cc(Br)ccc21
ir: 7 2 4 5 1 2 3 2 4 3 6 30 18 52 7 2 1 1 3 2 3 2 3 2 2 17 2 1 1 4 2 4 1 6 2 2 3 3 2 2 1 3 1 1 1 9 4 1 1 2 1 0 2 8 21 2 2 3 3 1 2 4 4 1 6 5 2 12 7 3 4 2 13 32 5 4 3 2 2 1 2 2 2 2 4 2 4 1 2 1 0 1 2 3 6 4 5 4 3 1 2 3 6 3 1 1 1 9 3 2 1 43 4 1 0 1 2 5 16 12 6 4 2 8 76 100 4 10 8 3 8 23 11 2 0 2 2 1 1 2 3 15 1 6 11 5 2 19 9 3 4 19 34 1 3 17 3 1 1 3 2 1 35 4 2 2 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 1 1 1 1 1 2 3 2 4 5 31 7 22 25 15 13 3 1 5 4 3 0 2 2 1 1 1 2 1 0 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1; 1HNMR: 87 86 m 2H | 85 85 d 1H J 26 | 83 83 d 1H J 86 | 77 77 m 2H | 76 76 dd 1H J 26 88 | 16 15 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCOc1c2[nH]c3ccc(F)cc3c2c(Br)c2c1[nH]c1ccc(F)cc12
ir: 6 17 33 11 7 11 14 9 12 9 10 10 9 13 18 14 23 32 40 10 8 9 13 10 8 15 11 16 7 11 10 7 10 15 12 6 6 10 8 4 6 11 10 5 7 16 12 5 7 17 9 0 24 86 16 14 10 9 9 22 9 10 13 27 10 22 18 75 12 12 8 5 8 9 7 6 8 10 24 10 9 10 6 7 9 13 25 34 14 12 13 23 16 11 6 6 10 8 6 12 41 11 5 47 8 7 8 8 19 9 62 59 14 7 4 6 10 8 5 12 14 20 15 11 11 7 6 8 18 71 12 9 11 6 5 17 22 9 8 10 9 8 8 8 8 8 7 7 8 6 8 41 31 8 7 9 8 6 10 15 23 10 11 16 8 5 7 9 7 4 7 9 7 4 7 9 7 5 7 9 6 4 7 8 6 5 7 8 6 5 7 8 6 5 7 8 5 5 8 8 5 5 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 4 6 9 6 4 7 9 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 8 8 6 6 8 8 6 6 7 7 5 6 8 8 5 6 8 7 6 6 8 7 6 7 10 7 5 7 9 7 7 10 13 14 95 100 29 13 9 9 11 11 7 7 9 7 6 8 10 7 10 8 8 6 7 16 15 9 18 16 49 32 78 36 21 18 8 10 7 8 7 8 7 6 6 8 7 5 6 8 7 5 6 8 7 5 6 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 8 6 5 7 7 6 5 7 7 6 6 7 7 6 6 7 7 6 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8 7 5 6 8; 1HNMR: 98 98 s 2H | 80 79 dd 2H J 25 122 | 76 76 dd 2H J 46 71 | 73 72 ddd 2H J 26 71 99 | 44 43 t 2H J 66 | 31 30 t 2H J 66 | 25 25 s 5H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCN(C(=O)OC(C)(C)C)[C@H]1Cc2ccc(Br)cc2C1
ir: 9 6 4 11 3 4 11 3 4 7 32 20 2 17 3 6 4 9 11 76 4 4 5 17 4 3 4 7 3 4 4 3 3 3 3 2 2 4 4 4 3 4 8 13 10 2 3 3 3 3 21 11 31 13 6 2 6 6 6 20 5 13 7 4 10 6 4 3 32 5 4 3 4 3 3 4 4 4 5 3 3 3 3 4 4 10 29 18 5 4 47 20 17 5 9 3 4 6 3 6 19 6 4 9 9 4 5 10 14 17 5 7 8 14 9 6 10 11 18 25 10 18 13 10 45 84 0 38 36 27 12 16 6 6 5 3 5 9 14 5 46 3 2 4 4 2 2 6 12 6 4 27 8 14 3 2 3 3 3 3 7 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 2 2 3 2 2 3 3 2 3 3 3 3 3 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 2 2 2 3 3 2 3 3 3 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 4 5 5 6 8 7 7 8 9 9 8 6 8 7 11 20 20 100 18 20 91 29 8 18 10 3 4 4 4 4 2 3 3 3 3 3 3 2 2 3 3 3 2 3 3 2 2 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 73 73 m 1H | 73 73 s 1H | 70 70 dp 1H J 9 83 | 40 39 tt 1H J 51 71 | 34 33 dt 1H J 69 123 | 32 32 m 1H | 32 31 m 2H | 30 29 ddd 1H J 7 72 135 | 29 28 ddd 1H J 7 70 139 | 17 15 m 2H | 15 14 s 7H | 9 8 t 3H J 77
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=C(C)CNc1cc(Br)cnc1I
ir: 4 3 0 5 12 7 6 8 14 20 44 18 12 9 8 6 14 16 13 48 33 12 53 5 13 16 9 4 4 9 4 2 3 2 3 6 34 21 13 5 2 3 2 2 2 3 3 4 3 2 2 2 2 2 2 2 2 3 5 4 5 1 2 3 3 6 28 39 22 4 9 5 9 29 16 4 9 13 2 2 3 1 1 1 3 7 22 6 2 10 5 3 3 3 2 2 1 1 2 2 1 1 2 2 1 7 3 3 3 25 6 3 3 3 7 8 6 23 5 4 12 12 5 7 2 27 8 61 26 8 13 7 9 9 16 28 93 18 5 4 1 3 3 1 1 2 3 1 6 46 10 16 7 4 38 5 5 7 3 10 4 3 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 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 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 3 2 1 1 2 1 1 1 2 2 1 1 2 2 1 2 3 2 1 2 5 4 4 3 6 7 3 4 37 24 7 8 10 25 10 5 6 3 1 3 3 1 1 4 7 4 7 9 23 6 5 35 76 100 99 11 6 8 12 0 2 4 4 1 2 3 2 0 1 2 2 1 2 2 2 1 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 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; 1HNMR: 82 81 d 1H J 17 | 71 71 d 1H J 18 | 62 62 t 1H J 51 | 49 48 m 2H | 38 38 dt 2H J 15 53 | 17 16 t 3H J 11
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
ir: 4 2 4 3 2 2 3 3 3 3 1 5 6 3 2 1 4 3 2 6 5 2 2 1 1 1 2 5 3 7 2 2 3 3 7 11 3 3 3 2 3 2 3 7 9 8 27 7 4 5 2 7 4 1 15 14 6 14 6 7 18 7 4 3 4 11 2 3 4 15 2 2 2 2 2 2 1 1 1 2 1 1 1 0 2 5 7 2 5 5 2 2 3 2 4 15 3 2 3 3 5 15 8 6 3 11 24 19 6 6 4 5 3 3 5 3 3 2 6 6 4 5 4 4 3 6 5 2 3 1 1 2 2 2 4 3 5 4 4 2 2 3 1 0 3 15 100 32 14 5 9 5 12 2 3 2 3 15 3 3 1 0 1 4 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 1 1 1 1 1 1 1 1 1 0 1 1 0 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 4 4 2 1 2 4 5 10 3 11 31 23 42 65 24 6 8 3 2 3 1 1 1 2 1 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 76 76 dd 1H J 9 159 | 76 75 m 2H | 70 69 m 2H | 64 63 d 1H J 159 | 42 42 dd 1H J 63 112 | 40 39 dd 1H J 64 112 | 38 38 s 2H | 17 15 tddd 1H J 15 48 66 80 | 16 14 m 2H | 14 12 m 7H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCOc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
ir: 14 32 33 57 10 9 2 5 8 5 4 8 6 6 5 5 5 6 3 7 11 9 4 6 5 2 4 5 5 2 4 5 5 4 5 9 5 9 16 13 7 15 4 6 4 3 4 6 4 0 4 8 5 11 24 10 9 4 4 6 4 2 9 14 6 2 13 17 14 11 19 17 16 6 9 7 5 27 98 59 10 7 19 14 6 3 6 4 3 4 4 3 3 5 7 100 13 4 10 7 4 6 6 5 1 6 14 11 22 29 6 4 2 4 7 4 1 8 12 10 6 4 7 8 10 28 12 8 5 10 26 5 2 4 4 2 3 5 8 6 2 10 12 9 41 9 7 2 2 7 26 3 3 8 22 2 6 4 3 2 8 6 20 2 3 5 4 2 3 5 3 0 3 5 3 1 2 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 1 1 3 4 1 1 4 5 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 4 2 2 4 3 1 2 4 3 0 2 4 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 2 4 4 2 1 3 3 1 2 3 4 1 2 4 3 1 2 5 3 2 4 6 4 2 5 6 3 3 4 6 5 4 6 15 23 21 39 36 31 2 7 9 4 3 12 44 37 4 3 4 2 1 3 3 2 1 3 4 2 1 3 4 1 1 3 3 2 2 3 3 1 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 2 1 3 5 2 1 2 4 2 1 3 4 2 1 3 4 2 1 3 3 2 1 3 3 2 1 3 3 2 1 3 3 2 2 3 3 1 2 3 3 1 2 3 3 1 2 3 3 1 2 4 3 1 2 4 2 1 2 4 2 1; 1HNMR: 78 77 m 1H | 75 74 d 1H J 157 | 73 73 s 2H | 71 70 m 1H | 70 70 d 1H J 18 | 69 69 d 1H J 86 | 68 67 s 1H | 40 40 t 2H J 64 | 39 39 s 5H | 39 38 s 3H | 18 17 p 2H J 66 | 15 14 h 2H J 70 | 10 9 t 3H J 70
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CSc1nsc(C2CCCC(C)C2)n1
ir: 8 4 2 6 9 11 6 21 18 44 18 29 31 89 76 18 16 11 5 8 10 4 3 6 6 3 1 7 6 2 2 6 7 4 4 7 6 3 7 17 10 5 4 6 5 2 4 7 4 1 5 8 9 2 4 8 4 3 6 15 7 2 6 8 5 2 7 8 4 1 5 6 3 1 6 6 3 2 5 7 3 2 5 5 2 2 5 5 2 2 5 5 3 4 5 6 7 4 10 6 5 7 10 19 74 53 38 36 25 14 15 16 19 31 19 31 0 19 13 15 14 13 31 16 6 8 14 19 58 36 19 9 8 77 100 31 9 9 23 15 7 13 8 4 3 6 5 2 2 5 5 1 2 6 4 1 3 6 4 1 3 6 4 0 3 6 3 0 3 6 3 0 3 6 3 0 4 6 3 0 4 6 3 1 4 5 2 1 4 5 2 1 4 5 2 1 4 5 2 2 5 5 2 2 5 4 1 2 5 4 1 2 5 4 1 3 5 4 1 3 6 4 1 3 6 3 0 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 1 4 5 2 2 4 5 2 2 4 5 2 2 5 5 2 2 5 5 2 3 5 4 3 5 6 6 2 5 9 6 8 7 9 9 7 15 9 20 11 16 44 69 16 6 8 5 2 4 6 3 1 4 6 3 1 4 5 3 2 4 5 2 2 4 5 2 2 4 5 2 2 4 4 2 2 5 4 2 2 5 4 2 2 5 4 1 3 5 4 1 3 5 3 1 3 5 3 1 3 6 3 1 3 5 3 1 3 5 3 1 4 5 3 1 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 5 3 1 3 5 3 1; 1HNMR: 33 32 tt 1H J 56 68 | 27 26 s 2H | 22 20 m 2H | 18 14 m 6H | 13 12 ddt 1H J 58 82 126 | 9 9 d 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4c(F)cccc4F)cc3)s2)CC1
ir: 2 2 3 3 4 4 4 8 5 5 5 4 6 6 3 3 4 5 2 1 1 3 4 6 6 5 1 1 2 2 1 8 3 1 2 1 1 5 4 3 8 73 30 10 4 6 7 74 9 2 2 5 3 4 13 18 32 22 4 2 1 0 1 2 3 9 1 2 5 13 1 1 2 2 6 4 1 2 3 5 6 10 18 4 2 2 5 3 9 2 3 9 6 5 5 8 5 3 6 2 2 2 5 4 32 8 4 8 11 4 10 7 4 10 4 1 2 2 2 1 1 3 1 3 2 2 2 2 1 2 0 15 2 3 1 2 3 2 7 8 3 4 9 14 99 22 7 14 10 18 24 34 100 47 8 3 2 11 2 1 1 2 1 10 1 2 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 5 2 1 2 2 3 5 5 9 16 6 28 25 37 7 5 3 2 2 1 1 1 1 1 1 2 2 2 1 3 2 7 5 4 7 19 83 37 4 4 3 4 3 2 1 1 1 1 1 0 1 1 1 1 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 1 1 1 0; 1HNMR: 86 86 t 1H J 43 | 83 83 s 1H | 80 80 s 1H | 78 77 m 2H | 76 75 m 2H | 73 72 m 1H | 71 70 m 2H | 37 36 s 2H | 31 31 p 1H J 55 | 24 23 p 1H J 62 | 22 21 m 2H | 21 20 m 2H | 19 17 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)OCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
ir: 0 6 10 5 0 6 9 5 2 7 12 26 13 8 18 11 5 8 15 7 3 7 9 3 2 7 9 5 8 100 38 21 12 12 8 5 5 8 27 20 40 18 8 1 9 17 8 1 5 14 10 3 5 10 6 1 7 10 5 2 15 18 6 1 7 10 4 1 13 17 6 1 7 9 7 6 10 12 8 3 13 9 6 3 21 11 50 7 8 7 2 3 8 7 1 4 9 7 6 13 18 7 2 5 11 9 1 6 10 7 0 5 10 6 0 5 11 6 1 11 17 22 12 14 9 5 3 7 10 6 4 12 13 4 47 31 10 4 3 7 8 7 19 20 11 11 8 10 17 20 10 8 7 3 4 8 6 2 8 9 6 1 4 8 5 1 5 9 5 1 5 9 5 1 5 9 4 1 5 8 4 1 6 8 4 2 6 8 4 2 6 8 3 2 6 7 3 3 7 7 3 3 7 7 2 3 7 6 2 3 7 6 2 4 8 6 2 4 8 5 1 4 8 5 1 5 9 5 1 5 9 5 1 5 8 4 1 5 8 4 2 6 8 4 2 6 7 3 2 6 7 3 2 6 7 3 3 7 7 3 3 7 6 2 3 8 6 2 4 8 7 2 4 8 6 2 5 9 6 1 6 12 7 6 10 29 16 16 44 11 7 4 5 8 5 3 6 7 4 3 5 7 4 3 6 7 4 3 6 7 3 3 6 6 3 3 6 6 3 3 7 6 3 4 7 6 2 4 7 5 2 4 7 5 2 4 7 5 2 5 8 5 2 5 8 5 2 5 7 4 2 5 7 4 2 5 7 4 3 6 7 4 3 6 7 4 3 6 6 3 3 6 6 3 3 6 6 3 4 7 6 3 4 7 5 3 4 7 5 2 4 7 5 2 4 7 5 2 5 8; 1HNMR: 77 76 m 6H | 76 75 ddt 3H J 15 66 77 | 75 74 m 6H | 46 46 t 1H J 9 | 43 43 d 2H J 7 | 40 39 hept 1H J 55 | 12 12 d 6H J 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CS(=O)(=O)Nc1ccccc1C(=O)CC1CCN(Cc2ccc[nH]c2=O)CC1
ir: 8 6 18 15 8 6 3 7 5 4 4 9 5 3 3 1 1 1 1 1 1 2 2 1 1 1 1 5 4 2 2 3 8 29 2 2 4 2 4 22 15 21 36 100 65 12 23 8 9 14 6 5 35 13 11 27 14 18 8 6 8 28 4 5 13 5 3 3 36 23 26 18 12 7 6 4 3 0 2 7 3 6 4 5 4 27 2 6 56 2 2 4 3 3 12 22 5 5 16 5 4 5 4 8 10 11 8 4 13 12 5 11 3 7 7 5 15 9 17 10 5 15 25 9 6 6 4 9 4 3 4 1 1 2 4 10 4 6 8 7 5 38 19 5 4 7 12 15 13 15 32 8 4 2 3 8 3 2 2 2 7 41 3 1 1 0 0 1 1 0 0 1 1 1 0 1 1 1 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1 1 1 0 0 1 0 1 1 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 1 1 1 0 1 1 1 2 3 1 1 1 3 4 2 3 2 2 2 0 5 12 27 9 11 32 27 39 12 3 4 1 1 2 1 1 2 1 1 0 1 2 1 1 4 4 5 5 9 58 30 20 68 29 16 8 2 0 2 1 1 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1; 1HNMR: 79 77 m 3H | 74 74 m 2H | 73 73 td 1H J 15 78 | 71 70 td 1H J 14 79 | 62 62 m 1H | 39 39 d 2H J 13 | 30 30 s 2H | 29 29 d 2H J 72 | 28 27 ddd 2H J 55 82 121 | 26 25 ddd 2H J 57 84 123 | 21 20 tp 1H J 59 73 | 20 19 ddt 2H J 57 83 125 | 17 16 ddt 2H J 57 82 126
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CON=C1CCc2cc(-c3sc(C(=O)N(C)C4CCN(C)CC4)cc3Br)ccc21
ir: 11 7 4 25 22 7 1 9 12 7 9 9 10 5 3 8 11 6 4 9 11 9 7 12 10 6 3 10 11 21 17 22 10 4 6 12 12 6 8 11 12 23 13 11 8 7 49 21 12 24 18 14 7 10 37 13 8 6 10 10 16 0 14 8 37 25 12 26 38 32 20 55 10 6 9 25 7 7 11 11 56 20 11 10 4 5 8 29 6 11 18 19 12 17 23 26 22 45 73 12 3 7 12 8 6 16 19 14 11 32 27 31 13 26 17 25 8 21 21 29 11 14 16 45 10 38 41 16 12 10 22 8 12 24 13 9 5 9 19 5 6 9 13 23 34 10 9 3 4 9 8 3 11 10 34 7 12 76 20 5 5 9 6 3 5 9 11 4 6 10 6 1 6 9 6 2 6 10 5 3 6 9 5 3 7 9 5 3 7 8 4 4 7 8 4 4 8 8 4 4 8 8 4 4 8 7 3 4 8 7 3 5 8 7 3 5 9 7 3 5 9 6 3 5 9 6 2 6 10 6 3 6 10 6 3 6 9 5 3 7 9 5 3 7 9 5 4 7 8 5 4 7 8 4 4 7 8 4 5 8 8 5 5 8 8 6 5 9 9 6 11 10 11 11 21 42 16 34 31 27 30 48 35 68 100 88 21 64 37 6 11 13 8 6 10 10 6 3 8 10 5 4 8 8 4 3 7 8 4 4 8 8 4 4 8 7 4 4 8 7 4 5 8 7 3 5 8 7 3 5 8 6 3 5 8 6 3 5 9 6 3 6 9 6 3 6 9 5 3 6 8 5 3 6 8 5 3 7 8 5 4 7 8 5 4 7 7 4 4 7 7 4 4 7 7 4 5 8 7 4 5 8 7 4 5 8 7 4 5 8 6 3 5 8 6 3 6 8 6 3; 1HNMR: 79 79 s 1H | 76 76 d 1H J 72 | 76 75 dt 1H J 9 19 | 74 73 dd 1H J 21 72 | 40 40 s 2H | 39 38 pq 1H J 15 60 | 32 31 dd 2H J 50 65 | 31 30 m 2H | 29 29 d 3H J 14 | 28 27 ddd 2H J 56 83 117 | 25 24 ddd 2H J 56 83 117 | 24 23 s 2H | 21 20 ddt 2H J 59 84 116 | 19 18 ddt 2H J 57 82 116
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1ccc(-c2cnn(C)c2)c(C(=O)N2CCC[C@H](C)[C@@H]2CNc2ccc(C(F)(F)F)cn2)c1
ir: 8 7 7 6 6 6 15 5 6 5 10 4 10 4 13 29 15 8 3 11 15 4 5 5 7 7 3 7 4 4 3 6 4 4 4 4 5 3 4 5 3 2 3 5 5 2 3 6 6 4 4 4 6 2 33 7 10 13 15 12 17 7 10 8 6 9 12 15 8 7 7 12 10 13 7 5 4 7 5 4 7 8 13 6 3 10 22 35 7 10 8 8 9 13 8 16 23 19 5 6 7 13 13 5 8 28 8 5 3 8 30 14 8 35 18 14 25 32 10 16 15 14 4 6 12 15 20 18 11 5 3 13 16 13 18 10 4 2 6 6 26 14 5 4 13 21 8 34 19 6 6 25 11 6 4 2 3 3 3 3 3 3 3 3 5 31 4 3 2 4 2 2 3 3 2 0 8 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 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 1 2 2 2 2 2 3 2 2 2 3 2 2 3 3 2 2 3 3 2 2 2 2 2 2 3 3 3 3 4 3 3 7 6 9 3 8 4 13 20 17 4 14 35 41 42 100 29 42 92 28 23 28 8 6 4 5 5 3 3 3 4 3 3 2 3 2 2 3 3 2 3 10 11 19 9 6 3 3 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 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 85 84 dq 1H J 13 26 | 80 80 m 1H | 80 79 d 1H J 84 | 79 79 s 1H | 78 78 s 1H | 77 76 m 1H | 74 74 ddd 1H J 9 22 89 | 68 68 d 1H J 70 | 62 62 t 1H J 55 | 39 39 s 3H | 39 38 m 2H | 36 35 ddd 1H J 56 68 139 | 35 35 ddd 1H J 33 60 121 | 34 33 dt 1H J 67 82 | 24 23 d 3H J 9 | 21 20 m 1H | 19 17 m 3H | 16 15 ddt 1H J 66 92 129 | 9 9 d 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1nc(Cl)c2cnn(Cc3nc4ccccc4n3-c3ccccc3)c2n1
ir: 0 2 3 4 4 3 3 4 1 2 4 1 2 2 1 6 4 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 4 1 2 2 3 1 2 2 2 4 4 15 1 1 1 1 1 2 2 5 3 1 11 4 9 4 2 2 2 3 1 2 1 1 1 1 2 1 6 0 2 1 1 1 1 1 2 1 1 2 1 1 1 1 0 0 1 0 0 1 1 3 1 1 1 1 1 1 1 0 1 1 1 1 0 0 1 1 2 1 1 0 0 1 1 1 0 1 1 1 0 2 1 1 2 2 1 1 0 3 5 1 1 3 1 1 5 1 3 6 7 6 4 5 11 33 4 5 6 2 14 4 1 4 3 17 1 0 1 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 1 1 1 1 0 1 1 3 2 0 4 19 9 4 1 0 1 1 1 0 0 1 1 0 1 1 1 1 0 7 5 2 1 1 1 0 1 0 0 1 1 9 100 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; 1HNMR: 81 81 s 1H | 78 77 ddd 2H J 14 68 163 | 75 73 m 5H | 73 72 m 2H | 60 59 s 2H | 55 54 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1ccc(OCc2cn(-c3cccnc3)c3ccccc23)cc1
ir: 7 5 7 11 3 2 2 3 5 2 2 3 4 19 29 3 3 3 2 2 2 2 4 2 0 2 3 1 2 4 3 2 16 21 20 18 10 1 2 7 3 1 42 18 3 3 2 0 2 1 2 2 2 3 10 59 37 5 4 3 4 4 34 18 4 5 4 9 12 29 14 3 10 7 8 6 7 3 13 9 2 2 1 6 1 1 2 2 20 3 2 1 1 1 2 5 3 2 5 2 1 1 1 1 2 3 6 18 3 3 2 7 29 14 25 16 11 9 5 5 20 17 17 15 8 9 23 4 12 8 2 1 2 1 1 1 2 1 4 46 2 3 11 44 25 6 4 2 9 21 8 23 11 3 29 9 2 1 2 1 3 10 11 4 1 1 1 1 1 1 0 1 0 0 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 1 1 0 1 1 1 1 1 1 1 0 1 2 2 0 2 2 4 1 3 7 10 13 25 100 51 17 16 22 3 3 3 0 1 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 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 88 88 t 1H J 16 | 84 84 ddd 1H J 14 21 35 | 79 79 m 3H | 78 78 q 1H J 7 | 77 77 dt 1H J 21 64 | 75 75 dd 1H J 14 62 | 75 74 dd 1H J 36 63 | 74 73 ddd 1H J 13 64 73 | 71 71 td 1H J 14 71 | 70 69 m 2H | 53 53 d 2H J 10 | 44 44 q 2H J 64 | 14 14 t 3H J 64
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)C(C(=O)CCSCc1ccccc1)C(=O)c1ccccc1
ir: 2 1 0 1 1 1 1 3 2 2 1 2 4 16 6 24 12 9 5 3 4 2 1 1 1 4 7 6 4 6 6 4 24 66 12 20 25 3 3 6 12 57 28 11 4 5 3 3 3 0 1 2 1 0 1 2 2 0 1 3 1 1 1 2 2 1 3 7 11 10 16 9 2 0 3 3 1 3 4 7 1 0 2 2 1 1 2 3 7 2 2 1 1 1 2 4 5 4 3 1 1 2 3 3 3 4 10 8 4 7 3 7 3 3 3 4 16 5 10 7 3 13 12 10 21 29 26 23 11 6 15 11 14 16 19 51 15 3 3 9 32 59 38 75 80 25 21 5 4 2 2 3 3 0 1 1 1 1 1 1 1 3 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 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 3 4 5 5 3 9 6 6 3 6 7 9 4 6 25 25 14 14 100 70 4 8 4 3 2 2 2 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 1 1 1 0 1 1 1 0 1 1 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: 80 79 m 2H | 76 75 m 1H | 75 74 m 2H | 74 73 m 4H | 73 72 dtt 1H J 27 53 64 | 47 47 q 1H J 15 | 37 36 d 2H J 7 | 30 29 m 2H | 29 28 dt 1H J 64 148 | 27 27 dt 1H J 64 148 | 23 23 d 3H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1
ir: 33 52 0 20 15 34 40 29 54 18 68 28 26 20 17 19 14 10 11 10 11 23 15 8 9 10 14 9 12 17 14 56 21 10 10 10 11 9 10 8 9 10 11 9 13 14 19 29 31 17 10 10 9 10 9 8 10 13 17 19 11 13 38 12 13 15 10 12 47 11 9 9 8 10 11 18 18 11 17 54 65 14 16 22 87 23 17 9 31 10 12 11 59 15 15 11 10 15 37 14 21 19 15 13 14 11 9 10 10 10 9 11 11 23 18 18 28 24 42 36 69 33 87 33 36 16 19 25 35 29 27 23 28 32 15 22 18 19 19 61 23 13 13 16 15 25 100 13 10 15 15 34 11 12 9 8 8 8 8 9 8 8 8 8 8 7 8 9 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 11 9 11 10 12 12 11 10 11 11 14 12 17 23 77 43 32 71 29 21 20 9 9 10 9 8 8 9 8 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 8 8 8 8 8 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 8 8 8 7 7 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8 8 7 8 8; 1HNMR: 79 79 m 2H | 74 73 m 2H | 39 39 s 3H | 36 36 d 2H J 7 | 34 33 m 4H | 26 26 m 4H | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)c1c(-c2cnn(CC3CC3)c2)[nH]c2c(C#N)cnn2c1=O
ir: 1 2 3 2 1 2 3 2 1 2 3 2 2 3 8 12 18 5 3 10 1 2 2 1 1 2 5 2 1 2 2 1 4 3 2 1 4 3 3 1 2 7 4 1 2 2 2 1 3 4 2 5 4 67 72 4 11 3 3 1 2 2 2 0 4 5 7 1 7 3 3 3 3 2 1 1 3 3 2 1 6 11 7 4 4 7 3 3 2 3 14 3 5 10 3 6 3 5 8 1 3 2 1 2 10 4 2 2 3 2 1 3 4 11 11 4 3 2 4 3 3 3 2 5 8 4 10 4 3 2 2 7 11 5 6 2 3 4 3 29 4 2 1 2 3 2 3 3 3 4 3 12 16 8 7 6 3 5 4 100 10 0 1 5 27 6 2 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 8 1 0 2 2 1 1 2 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 2 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 2 1 1 1 2 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 2 1 1 2 2 1 1 2 1 1 3 4 5 5 7 5 4 4 5 4 13 3 7 3 2 1 2 2 2 1 2 2 1 1 3 3 5 3 3 2 2 2 5 12 86 13 10 8 6 2 2 2 2 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 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 1 2; 1HNMR: 83 83 s 1H | 79 79 s 1H | 78 78 q 1H J 8 | 73 73 s 1H | 40 40 dd 2H J 8 39 | 31 30 hept 1H J 64 | 14 13 pt 1H J 38 60 | 12 11 d 6H 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.
N#CC1COc2c(F)cccc2O1
ir: 1 3 1 1 1 1 1 1 4 10 0 1 1 2 1 2 1 1 1 1 1 2 2 1 2 1 1 1 2 12 0 1 1 1 1 7 2 7 1 1 1 1 1 1 1 8 5 48 9 6 1 1 1 2 2 2 2 3 2 1 1 1 1 1 3 5 2 10 1 1 3 6 11 2 2 3 1 4 100 4 3 2 3 1 1 1 1 1 1 1 3 3 1 9 1 1 1 1 1 1 1 1 1 1 1 2 4 11 8 4 2 1 1 2 1 3 1 1 1 1 1 1 2 9 2 1 1 1 1 1 1 1 1 1 2 3 4 15 3 34 28 6 1 1 1 1 1 1 1 1 1 1 1 0 0 3 30 10 2 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 5 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 3 3 3 1 2 3 5 6 14 8 31 40 36 17 6 4 7 0 3 2 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1; 1HNMR: 71 70 m 2H | 69 68 dd 1H J 13 80 | 53 53 t 1H J 29 | 49 49 dd 1H J 29 110 | 47 46 dd 1H J 29 110
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCc1ncncc1CNc1ncc(C#N)c(Cl)n1
ir: 5 8 5 15 12 5 6 9 9 4 2 8 5 5 5 6 5 4 4 5 4 5 3 3 3 3 3 3 3 14 3 3 3 5 9 7 25 8 5 11 8 4 14 4 3 3 7 7 4 1 3 7 6 7 92 100 31 16 9 1 5 5 3 1 3 4 2 1 3 4 3 6 3 4 3 2 3 3 2 2 3 3 2 5 5 4 2 2 3 4 47 18 9 5 5 3 3 3 2 2 3 3 2 2 3 3 2 3 4 3 3 5 37 6 13 10 5 3 7 8 6 6 3 6 4 14 10 6 5 3 3 3 3 4 7 8 6 10 46 15 5 5 3 9 4 6 26 27 80 41 7 6 4 5 34 57 18 50 13 2 3 2 2 2 2 2 2 3 2 2 2 3 2 2 2 3 2 1 2 4 2 0 43 0 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 3 2 2 2 3 3 2 3 2 3 3 3 3 3 2 2 3 3 12 5 3 2 2 2 2 2 2 2 3 2 2 3 4 3 2 2 2 3 3 2 4 10 7 3 3 3 9 41 30 12 11 5 3 2 3 4 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2; 1HNMR: 89 89 d 1H J 18 | 86 85 s 1H | 85 84 dt 1H J 8 16 | 64 63 t 1H J 72 | 50 49 dd 2H J 9 72 | 28 27 q 2H J 75 | 13 12 t 3H J 75
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(OCc1ccccc1)C(C1CCOCC1)C(O)(C(=O)OCc1ccccc1)C1CCOCC1
ir: 4 11 31 35 5 11 8 17 4 10 11 13 2 4 3 2 1 2 10 2 2 5 4 2 1 3 3 2 2 8 14 9 11 4 7 2 4 5 3 8 86 0 3 4 6 5 3 2 1 2 2 0 2 2 8 3 3 2 1 1 1 2 4 2 4 2 4 2 17 8 2 4 10 4 14 6 4 5 9 4 1 4 10 7 7 3 2 6 31 56 24 8 7 2 4 5 13 16 13 9 4 5 9 3 2 5 4 4 10 5 5 9 10 11 1 3 5 3 3 3 7 9 5 17 13 10 8 12 22 6 4 10 4 2 10 26 6 3 3 2 4 3 11 25 84 26 11 5 2 0 1 7 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 1 1 1 1 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 1 0 1 2 1 1 2 2 1 1 2 2 1 1 1 1 1 1 2 2 2 2 4 4 9 4 4 4 3 4 5 5 4 26 9 21 79 26 10 7 4 3 15 100 99 6 1 2 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 2 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 74 73 d 8H J 41 | 73 73 m 2H | 52 51 m 3H | 51 50 d 1H J 118 | 42 42 s 1H | 38 37 dddd 4H J 29 57 110 143 | 36 35 tdd 4H J 29 57 112 | 30 30 d 1H J 102 | 25 24 dp 1H J 60 102 | 23 22 p 1H J 66 | 19 18 m 4H | 17 15 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(Nc1cccc(C(F)(F)F)c1)NC1CCNCC1
ir: 7 3 0 4 8 7 4 4 10 8 0 4 6 2 1 4 8 5 2 8 7 4 7 9 15 4 3 6 6 1 5 18 6 3 3 7 7 3 4 19 41 63 32 35 9 6 6 16 19 13 23 39 10 2 7 6 6 4 4 8 3 2 4 6 7 12 10 12 10 13 7 6 2 4 10 7 4 2 8 7 2 2 5 6 2 1 4 5 1 2 7 6 3 31 7 6 3 3 31 43 4 4 10 8 8 5 8 8 9 19 17 32 23 20 36 15 6 9 18 15 3 5 7 4 4 8 9 13 16 15 15 10 4 7 6 3 2 5 16 10 3 5 5 3 4 5 5 5 10 100 36 7 5 15 8 1 13 44 9 2 3 6 9 5 6 6 3 0 3 6 3 0 3 6 3 0 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 5 2 1 4 4 2 1 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 0 3 5 3 0 3 5 3 1 3 5 2 1 3 5 2 1 4 5 2 1 4 4 2 1 4 4 2 1 4 4 2 2 4 4 2 2 5 4 2 2 5 4 2 3 5 4 1 4 7 5 2 3 6 6 3 7 9 9 11 26 31 26 7 5 5 5 2 4 5 4 2 4 6 4 2 5 10 10 7 46 87 11 17 20 61 37 12 9 8 4 5 6 4 3 4 5 4 2 3 5 4 2 3 4 3 1 3 4 3 1 3 5 3 1 3 5 3 1 3 5 3 1 3 4 3 1 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 1 3 4 3 1 3 5 3 1; 1HNMR: 82 82 s 1H | 79 79 t 1H J 22 | 75 74 ddd 1H J 13 22 75 | 74 73 dd 1H J 76 103 | 73 72 ddd 1H J 13 23 102 | 65 64 d 1H J 75 | 37 36 m 2H | 30 29 dddd 2H J 24 41 50 142 | 28 28 dddd 2H J 25 41 51 143 | 20 19 dtd 2H J 25 50 139 | 17 16 dtd 2H J 24 49 139
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCNc1nc(Cl)cc(C)c1C(=O)NCc1cccc(F)c1
ir: 4 5 5 5 5 6 4 9 6 7 4 5 8 16 8 11 11 6 6 9 13 13 44 18 27 28 13 11 22 25 22 10 10 19 6 8 8 5 5 7 6 3 31 84 41 22 20 35 6 9 5 3 5 8 5 3 4 6 7 3 4 5 7 8 13 10 9 10 11 8 24 10 7 4 4 4 5 7 6 6 6 4 4 4 4 4 4 4 25 15 5 4 4 5 5 7 5 7 11 5 4 5 5 7 9 6 4 6 9 5 4 7 7 6 4 5 7 9 15 12 11 8 11 10 23 6 10 10 10 8 11 7 5 5 5 5 5 6 39 19 14 8 23 8 10 13 12 8 9 3 19 25 10 0 100 21 8 6 67 15 7 7 5 3 4 5 4 3 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 4 4 4 4 4 5 5 5 4 5 4 4 4 5 6 9 12 8 16 32 25 9 6 5 6 5 5 4 5 4 5 4 4 5 5 6 5 5 8 14 14 14 29 68 42 35 9 13 7 6 5 5 5 5 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4; 1HNMR: 75 75 t 1H J 56 | 74 73 m 1H | 73 72 m 1H | 71 70 m 3H | 69 69 s 1H | 46 45 dt 2H J 8 57 | 37 36 qd 2H J 40 65 | 26 25 s 2H | 14 13 t 3H J 65
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)c1cccn(Cc2cccc3ccccc23)c1=O
ir: 11 8 33 27 27 7 1 6 9 6 6 12 11 8 4 7 10 9 3 11 10 6 2 6 7 2 4 8 7 2 2 7 6 2 2 7 5 2 3 8 7 12 9 17 100 62 63 16 22 13 14 11 8 4 10 9 5 0 5 8 4 0 5 10 4 16 8 8 7 1 6 7 4 2 7 10 4 2 6 9 4 3 8 6 3 3 15 9 3 6 21 19 10 26 14 7 6 13 8 6 2 4 8 6 4 12 21 8 7 11 9 5 1 5 9 5 2 6 15 15 1 7 8 4 1 6 8 7 2 7 9 9 7 31 22 5 16 22 19 13 53 28 22 5 7 14 10 20 18 75 23 20 25 13 6 2 6 11 25 8 5 10 14 28 6 8 5 1 4 8 4 0 4 8 4 0 4 8 4 1 4 7 3 1 5 7 3 1 5 7 3 1 5 6 2 2 5 6 2 2 6 6 2 2 6 5 2 3 6 5 1 3 6 5 1 3 7 5 1 3 7 4 1 3 7 4 0 4 7 4 0 4 7 4 1 4 7 3 1 4 7 3 1 5 6 3 1 5 6 3 2 5 6 2 2 5 5 2 2 6 5 2 3 6 5 2 3 6 5 2 4 6 5 2 4 8 7 3 4 10 6 3 8 13 8 11 34 34 68 79 24 22 8 3 6 8 5 2 5 7 3 2 5 6 3 2 5 6 3 2 5 6 2 2 5 5 2 3 6 5 2 3 6 5 2 3 6 4 2 3 6 4 1 3 6 4 1 4 6 4 1 4 7 4 1 4 6 4 1 4 6 3 1 4 6 3 2 4 6 3 2 5 6 3 2 5 5 3 2 5 5 2 3 5 5 2 3 5 5 2 3 6 5 2 3 6 4 2 3 6 4 2 3 6 4 1 4 6 4 1; 1HNMR: 83 82 dd 1H J 13 79 | 82 81 m 1H | 80 80 dq 1H J 10 75 | 79 79 ddd 1H J 15 32 60 | 78 78 dt 1H J 15 78 | 76 75 m 2H | 75 74 m 1H | 74 73 t 1H J 79 | 69 68 t 1H J 77 | 53 53 t 2H J 9 | 38 38 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(C)CCCCCCO
ir: 6 5 2 2 2 5 8 5 1 1 1 5 1 3 1 3 1 1 0 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 1 1 1 3 2 4 1 1 1 1 2 3 3 3 3 3 2 1 2 1 2 1 1 1 2 2 3 9 13 8 4 5 4 3 4 3 2 2 3 2 4 3 2 5 4 3 4 7 54 41 32 100 25 37 15 24 42 29 27 8 5 4 4 6 2 4 3 4 5 10 8 6 2 1 3 2 1 2 2 1 3 3 2 4 4 4 3 2 1 1 1 2 1 1 1 1 2 10 3 3 2 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 1 0 0 1 1 1 0 0 1 1 0 1 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 1 1 0 1 1 1 1 3 5 4 10 4 7 7 4 4 6 3 1 5 35 6 14 4 3 2 2 2 5 2 7 14 5 15 3 7 3 1 2 1 1 1 1 1 1 1 1 3 1 2 2 3 2 2 3 3 2 1 2 2 2 2 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; 1HNMR: 36 35 q 2H J 58 | 28 27 t 1H J 59 | 26 25 t 2H J 60 | 23 22 s 5H | 16 15 m 4H | 14 13 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#Cc1cnc2ccc(NC(=O)C=CCN3CCOCC3)cc2c1Nc1ccc(F)c(Cl)c1
ir: 9 3 3 4 12 4 7 4 4 8 7 8 9 9 12 16 4 5 3 2 3 3 5 4 8 4 9 12 18 4 3 2 2 4 12 8 20 16 14 12 5 4 7 11 6 8 8 4 3 3 4 2 3 5 20 7 34 31 17 1 4 3 4 5 6 9 7 8 7 13 7 10 8 22 5 3 4 3 2 6 26 15 12 8 13 5 2 2 8 2 2 3 4 4 17 4 26 10 6 12 13 3 11 10 5 12 17 20 4 2 2 2 2 8 2 3 3 3 2 3 12 3 4 5 5 5 7 4 4 6 8 3 3 7 3 2 2 3 6 3 10 2 2 3 6 8 11 21 45 19 10 13 49 17 17 14 19 2 4 21 4 0 17 87 4 2 2 4 2 2 1 2 1 1 2 2 1 1 2 2 1 0 10 1 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 2 2 1 1 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 2 2 2 1 3 3 3 2 2 4 2 2 2 8 5 3 9 24 13 49 44 21 9 3 3 4 2 4 3 2 1 2 2 2 2 1 3 3 3 7 6 14 95 100 81 16 10 6 4 3 1 2 4 2 2 2 2 2 1 2 2 2 1 1 2 2 1 2 2 2 1 2 2 2 1 2 2 1 1 1 2 2 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 100 99 s 1H | 87 86 s 1H | 83 83 t 1H J 13 | 78 77 m 3H | 73 72 ddd 1H J 21 35 77 | 72 71 m 2H | 67 66 dt 1H J 44 145 | 61 60 dt 1H J 13 145 | 37 36 m 4H | 34 34 dd 2H J 13 45 | 26 26 m 4H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCC12COC(c3ccc(I)cc3)(OC1)OC2C(F)(F)F
ir: 24 14 1 3 5 2 3 2 6 6 2 6 7 9 17 7 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 5 7 2 12 14 3 3 2 4 10 7 0 1 2 2 2 5 3 52 54 68 31 13 18 5 6 2 52 2 2 1 3 3 2 9 22 3 4 3 6 71 11 2 1 3 3 1 0 5 22 44 17 43 11 7 9 10 12 7 1 11 20 20 75 45 20 10 26 53 58 82 3 2 2 3 4 4 5 18 10 33 71 20 17 13 9 13 11 10 14 18 35 15 10 3 9 6 2 2 1 2 1 1 1 2 1 1 1 1 1 9 32 38 28 14 6 5 12 6 23 2 1 1 2 1 1 1 2 1 0 1 2 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 1 2 1 5 12 8 3 6 5 6 9 11 12 54 52 82 100 33 38 12 12 7 4 5 4 2 0 1 2 1 0 1 1 1 0 1 2 1 0 2 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 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0; 1HNMR: 77 77 m 2H | 73 72 m 2H | 46 46 q 1H J 59 | 43 43 d 2H J 114 | 39 38 d 2H J 114 | 17 16 t 2H J 58 | 15 14 m 2H | 13 12 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCCCCCCCCCC[C@@H]1CC(O)=C(CCCCCC)C(=O)O1
ir: 7 6 7 4 5 8 9 12 5 7 6 6 4 3 3 4 12 7 4 3 5 4 4 5 13 4 3 4 8 8 6 3 5 5 6 6 17 11 11 10 20 7 5 5 11 4 6 7 4 5 4 6 4 4 5 5 4 3 6 6 5 4 17 19 6 12 8 7 11 11 20 8 5 8 10 5 5 10 5 9 31 6 4 5 3 5 11 18 92 64 6 7 8 8 30 16 11 5 3 5 6 14 7 4 5 4 7 13 15 23 18 9 16 18 4 6 10 16 18 17 13 21 7 7 8 5 7 6 4 4 3 5 5 4 3 5 7 13 24 22 32 14 5 3 3 4 4 3 3 3 3 3 3 3 3 2 22 21 3 4 3 3 3 3 4 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 5 3 4 7 4 4 3 3 3 3 3 3 4 3 4 6 5 4 7 11 14 12 12 9 7 9 4 10 12 33 38 26 6 2 4 7 4 0 4 9 0 70 100 23 6 6 2 1 3 4 2 2 3 3 2 2 3 3 3 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 2 3 3 3 5 4 3 3 3 3 3 3 2 3 3 3 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3; 1HNMR: 47 47 qd 1H J 46 71 | 24 23 ddt 1H J 11 45 160 | 22 22 tt 2H J 10 72 | 22 21 ddt 1H J 10 73 160 | 19 17 dtd 1H J 70 86 141 | 16 15 m 3H | 15 12 m 25H | 9 8 m 6H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)c1cc(OP(=O)(Cl)Cl)c2cc(C(C)(C)C)ccc2c1
ir: 1 1 1 1 2 1 1 3 2 1 0 1 1 3 3 3 9 5 5 7 4 5 2 2 1 2 2 2 3 15 11 13 13 6 3 4 2 1 1 1 1 0 1 1 1 2 2 2 6 1 3 9 5 10 15 13 3 1 2 2 6 13 7 10 9 15 8 27 30 19 9 5 5 2 6 35 15 11 4 3 3 1 4 4 2 1 2 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 4 8 18 22 12 4 8 8 2 6 6 5 8 8 2 5 2 2 2 4 7 9 4 5 7 6 13 7 2 1 1 3 1 1 2 0 1 2 3 9 2 4 1 0 1 1 1 2 5 20 3 11 12 16 12 38 4 5 3 3 2 4 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 1 1 0 1 1 0 0 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 0 0 1 1 1 0 0 1 0 0 0 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 0 1 1 1 1 1 1 3 4 2 1 1 1 1 1 1 1 2 5 6 26 36 14 29 68 100 12 12 7 2 2 2 2 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 80 d 1H J 28 | 77 77 dd 1H J 22 79 | 75 74 t 1H J 22 | 74 74 dd 1H J 24 79 | 71 71 d 1H J 22 | 14 14 s 9H | 14 14 s 9H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
O=C(O)CNc1c[nH]c2ccccc12
ir: 5 5 3 6 11 7 16 23 32 24 19 20 29 23 34 31 30 11 14 15 17 31 41 33 28 17 15 22 5 5 3 1 5 9 14 6 7 4 1 6 36 42 46 12 7 8 6 3 6 7 3 0 3 3 2 1 2 2 2 0 1 3 1 3 3 5 8 5 6 12 2 5 8 8 7 11 17 29 38 94 8 12 7 6 4 8 4 2 3 2 1 2 2 2 1 2 7 5 8 6 2 2 1 1 3 3 11 20 25 4 2 3 6 14 27 21 2 4 4 6 2 11 5 13 6 2 26 22 8 3 1 3 4 2 7 7 31 19 6 9 13 36 36 11 34 29 5 8 3 2 1 4 3 6 17 4 8 26 8 2 5 7 3 3 1 0 0 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 2 2 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 1 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 2 1 3 6 5 12 10 16 20 8 11 16 7 4 2 2 4 3 5 4 2 3 1 1 3 2 5 4 5 10 24 54 52 100 44 39 10 6 3 2 1 1 1 1 1 1 0 1 1 1 1 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1; 1HNMR: 99 98 d 1H J 70 | 78 78 m 1H | 74 73 d 1H J 68 | 73 73 m 1H | 72 71 m 2H | 68 68 t 1H J 62 | 42 42 d 2H J 62
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1cccc2nc(N3CCNCC3)c(=O)[nH]c12
ir: 1 2 2 1 1 4 3 2 4 5 3 1 5 16 1 1 1 2 1 1 2 4 4 6 19 31 82 67 9 5 3 3 1 3 3 4 1 3 6 8 1 2 3 4 9 38 4 8 22 13 12 21 66 40 7 21 18 10 30 9 3 5 5 13 3 3 6 5 5 1 3 6 5 1 1 3 3 1 1 1 2 3 1 1 1 2 3 4 1 1 1 3 2 2 8 3 5 13 6 3 11 12 5 11 5 3 8 22 6 21 37 11 13 12 8 15 17 10 8 4 4 14 5 4 0 2 3 6 13 38 18 4 4 5 11 47 8 2 3 10 29 15 69 100 13 3 2 4 1 2 1 2 2 2 2 19 4 0 1 1 1 1 1 4 2 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 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 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 3 4 3 3 2 1 2 2 2 5 12 4 7 50 36 3 3 3 1 0 1 2 1 0 1 2 3 2 11 6 8 12 44 40 14 3 9 25 70 13 10 5 3 2 0 1 2 3 1 1 1 1 0 1 3 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 1 0 0 1 1 1 1 1 1 0 1 1 1 0; 1HNMR: 95 95 s 1H | 75 74 dd 1H J 15 81 | 73 73 m 1H | 72 72 m 1H | 36 35 m 4H | 30 29 m 4H | 24 24 d 3H J 7 | 22 21 p 1H J 34
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1csc(-c2ccc(C(C)(C)C)cc2)c1OCOC
ir: 5 6 4 2 6 10 2 6 1 13 8 1 3 4 12 13 7 2 42 12 3 2 0 1 2 1 1 2 2 1 2 10 2 11 82 17 2 2 6 1 1 1 1 1 1 1 2 1 3 8 1 3 3 14 46 26 14 9 12 36 9 20 18 5 3 7 60 4 5 5 46 6 12 15 14 12 13 9 19 22 35 5 2 1 1 1 1 2 2 1 0 1 1 1 0 1 1 4 2 2 1 1 1 1 1 1 1 2 4 4 10 6 6 14 11 3 6 15 100 8 13 8 4 3 6 9 2 7 12 5 4 7 6 6 2 10 17 44 16 2 2 1 1 1 8 4 2 3 2 2 4 29 47 18 11 9 34 2 1 2 1 1 1 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 2 2 2 2 1 6 2 2 1 2 2 3 8 23 23 13 25 98 30 31 15 8 9 5 2 1 1 2 2 1 1 2 0 0 1 1 0 0 1 1 0 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1; 1HNMR: 82 82 s 1H | 76 75 m 2H | 74 73 m 2H | 51 51 s 2H | 43 43 q 2H J 64 | 35 35 s 3H | 14 14 t 4H J 64 | 14 13 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CN(CC1CCSc2c1n(C)c1ccccc21)C(=O)OC(C)(C)C
ir: 2 2 15 7 2 5 5 8 3 7 13 12 2 3 2 1 2 4 8 2 2 1 0 1 1 2 1 1 1 0 1 1 1 1 1 1 1 3 1 2 1 7 7 6 2 1 1 1 1 1 3 1 1 1 1 1 1 0 1 1 1 4 2 3 1 1 1 1 2 1 4 2 2 2 2 1 1 1 1 1 1 1 2 1 4 1 1 1 1 1 3 1 0 1 1 1 1 1 1 1 1 2 3 6 4 7 2 1 2 1 1 1 2 6 4 2 2 2 4 15 9 6 7 15 9 3 9 10 4 9 7 9 2 2 2 6 2 15 2 1 1 1 2 5 1 1 3 1 1 5 22 100 4 3 2 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 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 1 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 2 2 1 1 2 5 2 1 1 2 1 3 6 10 13 8 5 3 22 3 1 1 1 1 1 1 1 1 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 79 79 dt 1H J 8 64 | 74 73 m 2H | 73 72 m 1H | 39 38 dd 1H J 46 108 | 37 35 m 2H | 36 36 s 3H | 32 31 ddd 1H J 33 60 132 | 30 30 ddd 1H J 33 60 132 | 30 30 s 3H | 23 22 dddd 1H J 33 49 60 115 | 20 19 dddd 1H J 33 49 60 117 | 15 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
C=CCN(CC(=O)N1CCC[C@H]1C(=O)OC)C(=O)OCc1ccccc1
ir: 39 37 20 21 35 15 11 24 11 17 22 16 21 11 6 18 21 11 16 9 16 22 30 18 13 16 12 19 14 14 38 15 21 8 15 15 6 18 29 86 100 19 13 10 6 5 6 4 5 5 10 12 7 15 11 11 9 5 4 2 5 7 10 5 23 10 23 14 24 23 30 37 16 5 9 16 21 13 5 13 6 3 3 2 5 5 12 5 24 24 19 9 2 6 20 10 5 17 14 8 12 6 8 8 15 18 44 17 26 12 7 12 13 17 9 11 9 26 67 33 49 43 73 37 15 22 27 29 12 10 23 25 26 12 16 23 51 24 35 38 8 19 40 33 64 37 21 86 80 44 24 46 13 9 4 2 1 3 4 1 2 3 2 0 1 3 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 0 1 2 1 1 2 1 1 1 1 1 1 1 2 2 1 1 2 1 0 1 2 1 1 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 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 2 1 2 2 2 1 3 2 3 3 4 4 4 11 13 13 14 8 10 29 17 15 31 70 32 49 92 20 43 15 31 15 9 12 8 5 3 4 2 2 1 2 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0; 1HNMR: 74 73 m 5H | 59 58 ddt 1H J 57 115 171 | 53 52 ddt 1H J 13 24 170 | 52 51 s 2H | 51 51 ddd 1H J 11 22 113 | 46 45 ddt 1H J 18 43 60 | 40 39 d 2H J 38 | 39 38 dt 2H J 14 59 | 37 37 s 2H | 37 36 m 1H | 36 35 dddd 1H J 17 31 51 123 | 22 21 dddd 1H J 42 49 69 122 | 20 18 m 3H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
c1ccc(-c2cc(C3CC3)[nH]n2)cc1
ir: 4 3 4 2 0 2 4 2 1 3 4 2 0 3 4 6 9 6 7 3 1 3 3 1 0 2 3 2 2 6 8 9 4 6 4 2 2 9 12 12 34 43 35 11 6 10 8 3 5 13 36 12 12 4 2 1 2 3 3 0 2 3 1 1 2 3 3 7 10 5 7 12 7 16 16 6 7 4 6 14 3 3 2 1 4 5 4 3 3 5 2 1 3 3 5 5 4 3 2 2 13 8 13 3 7 4 43 21 9 3 1 3 4 2 1 2 4 4 2 2 5 5 6 13 6 17 8 6 6 4 1 4 6 4 3 5 5 1 3 28 15 14 8 23 11 9 7 5 4 6 3 8 7 2 2 4 8 14 16 5 3 0 2 15 12 9 3 3 2 0 2 3 2 0 2 3 2 0 2 3 1 0 2 2 1 0 2 3 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 0 1 3 2 0 1 3 2 0 1 3 2 0 1 3 1 0 1 3 1 0 1 3 1 0 2 3 1 0 2 2 1 0 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 3 2 0 1 3 2 0 2 3 3 0 5 10 7 5 8 10 10 50 100 54 17 24 10 5 3 4 3 3 3 1 3 3 2 1 3 3 2 2 3 4 3 8 18 31 38 16 9 5 2 1 2 2 1 1 3 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 0 1 2 1 0 1 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2; 1HNMR: 78 78 m 2H | 75 74 m 2H | 74 74 m 1H | 68 68 s 1H | 20 19 m 1H | 12 11 m 2H | 10 9 m 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Nc1cccc(C2(C(F)(F)F)N=N2)c1
ir: 20 27 17 14 5 6 7 4 2 12 11 6 2 6 6 3 2 5 4 3 3 6 7 5 1 5 6 2 3 9 8 6 3 7 5 3 2 5 5 1 3 6 5 4 5 6 8 21 9 14 8 1 3 6 4 1 3 6 3 0 3 7 6 3 12 7 4 5 5 12 5 2 4 5 2 1 4 6 4 2 9 9 4 1 9 13 9 8 6 4 1 1 5 8 24 11 38 10 3 11 10 6 1 2 5 4 2 4 6 3 1 3 5 3 0 3 5 3 3 4 6 5 2 4 6 2 2 4 5 2 1 4 4 2 1 4 4 2 1 6 6 5 2 4 4 1 2 4 4 2 3 13 37 6 23 21 32 18 21 25 5 9 5 14 9 2 3 5 3 0 3 5 3 0 3 5 2 1 3 5 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 2 1 4 4 1 1 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 0 2 5 2 0 3 5 2 0 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 3 4 2 1 4 4 1 2 3 4 2 2 4 4 2 2 4 3 1 2 4 3 1 2 4 3 1 2 5 3 2 3 7 4 2 7 9 16 6 7 11 4 2 3 5 3 2 3 4 2 1 3 4 3 3 8 16 9 12 4 5 2 2 3 4 4 9 87 100 60 28 10 4 2 2 4 3 1 2 4 3 1 2 5 3 1 2 4 3 1 2 4 3 1 3 5 3 1 4 6 3 3 4 5 3 2 3 4 2 1 3 4 2 1 3 4 2 1 3 3 2 2 3 3 2 2 3 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4 3 1 2 4; 1HNMR: 75 75 ddd 1H J 12 22 58 | 73 73 dd 1H J 58 74 | 70 70 t 1H J 21 | 67 67 ddd 1H J 11 21 73 | 43 43 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC1(C)Oc2ccncc2[C@@H](N2CCCC2=O)[C@@H]1O
ir: 1 1 4 4 1 1 1 1 1 5 0 1 1 0 4 1 3 2 4 2 1 5 6 1 1 1 0 0 1 5 0 1 0 2 2 4 1 0 1 1 1 13 1 1 3 3 0 0 0 0 1 3 1 1 1 3 5 3 1 1 0 0 0 0 1 0 0 1 1 2 3 8 8 7 4 1 1 0 1 1 1 1 1 3 2 2 7 4 12 7 7 4 5 3 2 1 1 1 1 1 1 3 1 1 0 0 0 1 0 1 1 2 11 4 2 2 1 3 2 1 1 3 8 3 2 2 2 1 1 1 2 1 1 2 0 0 0 0 0 0 0 0 0 3 1 1 0 0 3 28 2 1 1 5 1 1 0 0 1 1 10 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 1 0 0 1 1 2 1 1 1 0 1 2 1 1 2 2 1 3 3 5 7 2 1 4 6 2 1 2 3 3 8 100 6 4 3 1 2 1 0 0 1 0 0 0 1 1 1 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 86 85 m 2H | 70 69 d 1H J 44 | 52 51 dd 1H J 7 90 | 42 42 dddq 1H J 15 31 75 91 | 40 40 d 1H J 75 | 37 36 m 1H | 36 35 ddd 1H J 41 51 119 | 25 23 m 2H | 19 18 m 2H | 14 13 dd 6H J 15 159
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CNC(=O)Oc1ccc2c(c1)c1c(n2C)C(=O)CC1
ir: 6 8 2 3 2 1 1 2 4 1 1 1 1 1 1 5 3 1 1 5 3 4 2 23 100 83 29 1 3 8 2 2 5 3 2 3 1 2 2 1 1 1 2 0 1 2 1 0 8 12 1 1 1 2 4 6 3 2 1 1 1 1 2 0 3 2 4 5 8 2 2 2 2 3 2 1 2 4 7 1 2 1 1 1 1 1 1 1 1 1 1 3 9 9 5 1 2 1 1 1 1 2 4 7 1 1 1 2 4 1 1 1 2 2 1 5 3 2 2 2 2 2 4 7 10 12 5 2 1 4 1 1 1 1 1 1 1 7 2 1 1 8 53 39 36 7 9 6 7 52 3 21 12 3 2 7 2 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 2 2 1 1 2 2 3 6 5 5 14 5 3 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 4 13 7 17 15 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 1 1 1 1 1 1 1 1; 1HNMR: 76 76 d 1H J 27 | 72 72 dd 1H J 27 79 | 72 71 d 1H J 78 | 50 50 q 1H J 53 | 40 39 s 3H | 33 32 m 2H | 30 30 t 2H J 53 | 28 27 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)CNCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1
ir: 1 3 1 2 3 11 17 4 3 2 2 7 5 2 3 2 2 2 2 13 2 5 3 4 4 3 6 6 5 5 4 3 21 2 1 3 3 17 2 8 12 14 5 9 22 73 8 0 5 4 5 17 7 6 30 17 7 1 2 4 18 8 2 5 7 6 28 9 26 7 3 1 2 2 3 6 4 2 1 1 1 1 2 5 1 3 3 3 2 10 1 1 2 5 5 3 4 6 5 3 4 14 1 1 2 2 1 1 1 3 4 19 45 23 8 4 2 3 6 13 16 10 8 6 6 3 6 10 12 10 13 4 8 18 18 14 4 54 3 4 2 5 8 19 32 39 16 6 5 1 13 45 6 6 1 3 1 2 5 13 3 1 14 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 8 4 23 14 13 31 100 61 23 5 12 8 5 2 2 3 2 2 3 1 1 2 4 5 7 34 68 20 4 1 2 2 2 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 79 79 d 1H J 70 | 78 78 dd 1H J 51 81 | 75 74 d 1H J 70 | 73 72 m 6H | 72 71 ddt 1H J 10 18 121 | 42 41 q 2H J 66 | 41 41 dt 2H J 9 58 | 36 35 d 2H J 61 | 34 33 p 1H J 59 | 17 16 m 2H | 15 14 m 2H | 13 12 t 3H J 66
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COC(=O)Cn1c(=O)n2c3c(cccc31)CC(NC(=O)OC(C)(C)C)C2
ir: 6 4 4 4 2 5 1 4 1 3 2 3 1 2 6 2 1 2 2 1 1 3 4 2 3 6 14 21 54 13 6 3 3 2 5 4 3 6 9 12 13 6 3 1 2 14 10 5 2 3 1 6 5 2 2 0 1 2 2 1 1 2 2 4 5 3 2 1 2 2 1 0 1 1 1 2 2 2 1 2 3 5 2 1 2 1 1 1 1 1 1 1 2 3 1 2 3 4 4 7 6 6 2 2 2 2 4 8 4 7 9 8 1 3 3 6 11 5 9 15 9 5 5 7 6 2 2 4 3 9 6 10 3 4 5 22 34 3 3 6 3 7 4 3 11 24 100 17 7 16 11 3 1 2 2 61 7 2 23 3 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 3 4 2 3 1 3 3 2 3 14 22 3 4 11 21 3 2 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 4 6 25 16 7 2 2 2 1 2 1 1 1 1 1 1 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 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 74 dd 1H J 12 80 | 71 70 dd 1H J 80 87 | 69 69 dq 1H J 10 88 | 52 51 d 1H J 77 | 46 46 s 2H | 44 43 m 2H | 41 41 dd 1H J 47 114 | 37 37 s 3H | 32 31 ddd 1H J 8 60 149 | 29 28 ddd 1H J 8 60 148 | 14 14 s 8H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
Cc1c(Cn2c(=O)c(C#N)cn(-c3ccc4c(c3)n(C)c(=O)n4C)c2=O)cccc1C(F)(F)F
ir: 1 3 3 1 2 19 4 2 3 2 6 1 2 1 2 1 2 8 7 1 2 1 2 1 9 3 1 1 0 1 2 1 1 1 3 2 3 7 37 16 4 2 13 1 2 3 2 3 29 4 35 7 7 6 59 33 16 5 2 3 3 2 1 4 6 11 6 5 5 2 1 4 4 4 2 4 2 14 4 2 2 3 2 1 1 3 1 9 2 3 3 3 20 22 3 1 2 4 1 67 27 7 2 5 2 2 2 4 9 38 1 1 3 30 0 3 9 11 11 7 8 16 15 7 5 2 2 6 14 8 6 7 3 4 4 4 8 35 1 4 9 11 7 3 13 2 3 2 11 100 14 7 27 33 2 11 13 7 2 3 7 2 1 5 3 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 0 0 0 1 1 0 0 1 1 0 0 1 1 0 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 1 2 2 1 2 2 1 1 3 2 1 3 3 4 4 5 9 13 17 98 29 8 45 9 2 2 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 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 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1; 1HNMR: 85 85 s 1H | 80 80 d 1H J 16 | 77 76 m 2H | 75 74 dp 1H J 14 108 | 73 73 dd 1H J 78 108 | 72 71 dq 1H J 10 79 | 52 51 d 2H J 9 | 35 35 s 3H | 35 35 s 3H | 23 23 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)(C)[C@H](NC(=O)c1nn(Cc2ccccc2)c2ncccc12)C(N)=O
ir: 2 2 4 6 3 2 4 3 2 2 2 2 8 15 11 5 5 11 11 5 31 9 4 4 4 5 8 10 12 8 21 100 22 5 13 8 7 27 21 26 25 18 5 10 4 8 10 3 4 2 2 2 2 2 2 2 6 2 2 3 2 12 13 5 4 6 3 4 5 2 2 2 2 2 2 4 5 3 3 4 3 2 2 3 4 4 3 7 4 8 2 3 3 4 2 2 2 2 6 2 3 3 4 3 2 2 2 1 1 2 2 2 2 2 4 6 6 10 7 7 6 8 9 10 17 18 5 9 6 5 2 10 5 2 2 10 2 3 6 11 7 10 13 10 33 7 10 32 4 1 13 29 5 4 7 28 4 7 50 1 2 3 2 1 2 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 2 2 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 2 2 2 3 2 2 3 3 3 3 3 9 15 11 12 41 17 11 6 3 4 3 2 2 2 2 1 1 2 2 1 0 30 18 4 4 1 2 3 6 6 7 23 14 8 46 27 2 2 2 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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; 1HNMR: 87 86 dd 1H J 22 35 | 85 85 dd 1H J 21 80 | 80 79 d 1H J 101 | 74 73 dd 1H J 35 79 | 73 72 m 0H | 73 73 s 4H | 73 73 s 1H | 66 66 s 2H | 56 56 s 2H | 45 44 ddq 1H J 16 31 101 | 11 11 d 9H J 15
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)C1CCC2(CC1)CC2
ir: 11 8 7 17 21 10 7 8 11 7 3 7 12 7 5 5 5 3 2 3 3 2 2 3 3 2 2 4 5 4 19 25 7 5 4 4 3 2 3 6 7 10 16 11 8 6 3 5 3 4 9 14 6 3 5 7 4 4 3 4 3 5 4 4 4 3 3 4 3 2 4 4 4 7 7 11 4 5 4 6 18 7 6 13 5 3 3 4 4 4 3 4 4 4 4 9 8 16 16 4 7 5 3 7 14 11 24 35 4 9 2 28 41 62 23 18 7 17 18 9 3 8 7 5 5 6 5 5 6 9 8 5 6 6 5 3 6 5 4 5 5 0 5 90 100 51 11 1 2 7 8 6 15 6 5 1 2 4 3 5 7 5 3 1 2 4 3 1 2 4 2 0 2 4 2 1 2 4 2 1 2 3 2 1 3 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 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 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 4 4 6 6 4 6 7 12 4 9 8 8 20 17 34 27 30 6 4 4 5 11 26 27 3 3 3 2 1 2 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 3 2 2 3 2 2 2 3 2 2 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 1 2 3 2 2 2 3 2 2 2 3 2 2 2 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 1 2 3 2 1; 1HNMR: 42 41 q 2H J 64 | 24 23 p 1H J 63 | 19 18 dtd 2H J 48 65 132 | 16 14 m 7H | 13 12 t 3H J 63 | 9 8 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)c1cccc(-n2ccnc2)c1
ir: 0 0 0 1 1 3 7 9 3 2 2 1 1 0 0 0 0 0 0 1 1 2 1 1 1 3 12 23 3 3 1 8 7 8 1 2 3 5 1 1 7 14 2 1 1 8 34 28 32 7 8 1 1 1 7 5 1 3 7 5 1 1 1 5 6 10 11 4 14 9 3 2 4 1 3 5 10 9 3 3 2 10 6 5 1 4 3 3 2 6 23 17 11 2 3 2 2 3 2 2 2 12 10 8 18 25 12 4 3 5 4 2 2 1 1 4 18 7 3 3 5 2 4 2 3 2 2 2 4 6 9 7 23 14 7 4 3 1 1 1 29 29 13 2 1 0 0 1 1 0 0 1 1 2 1 3 3 4 1 1 8 6 1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 2 1 2 0 1 1 1 1 1 4 3 7 4 4 10 24 9 8 67 100 73 21 3 1 3 1 1 2 1 1 2 4 6 7 5 2 1 2 1 2 8 6 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0; 1HNMR: 84 83 t 1H J 17 | 80 80 dd 1H J 17 38 | 78 78 dd 1H J 18 38 | 75 74 m 1H | 74 74 ddd 1H J 13 21 62 | 74 73 dd 1H J 63 73 | 73 72 m 1H | 41 40 dp 1H J 54 62 | 19 19 d 2H J 57 | 15 15 d 3H J 53
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCN1CCC=C(C)c2ccc(O)cc21
ir: 6 5 5 6 7 6 7 6 7 6 6 6 6 5 5 6 7 6 6 7 6 5 5 5 5 6 5 5 5 5 5 6 5 5 5 5 5 5 5 6 5 5 5 5 5 6 6 7 7 5 6 5 6 9 15 13 6 4 6 7 8 5 5 6 7 8 23 16 7 7 9 8 7 10 9 6 7 7 7 7 8 16 12 12 10 18 8 7 9 15 6 7 5 5 6 7 8 5 5 6 8 13 7 6 5 5 6 5 6 7 6 5 5 6 7 6 5 5 7 6 6 6 6 6 6 7 6 6 6 7 6 7 6 7 5 5 5 5 5 5 5 5 5 5 5 8 6 5 6 11 8 4 5 7 18 12 7 6 5 5 5 5 7 19 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 8 6 6 6 8 6 6 5 5 6 6 6 5 6 6 5 5 6 15 11 14 16 14 21 10 7 10 5 0 19 100 13 9 5 4 5 6 5 5 5 6 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 7 5 5 5 7 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5; 1HNMR: 82 82 s 1H | 70 70 d 1H J 87 | 65 65 dd 1H J 21 87 | 62 62 d 1H J 21 | 57 56 ttq 1H J 10 18 55 | 36 35 td 2H J 9 60 | 35 35 d 1H J 74 | 35 35 d 1H J 73 | 25 24 m 2H | 21 21 dt 3H J 11 20 | 12 12 t 3H J 73
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(C)COCc1ccc(Cl)cc1C(=O)O
ir: 1 1 1 2 3 5 3 4 4 2 1 2 3 2 1 10 9 15 5 5 11 11 97 48 3 8 5 5 2 4 1 1 0 2 5 1 1 2 2 0 1 2 1 0 1 1 1 1 1 1 2 3 15 14 2 8 6 2 2 2 2 1 1 1 1 1 1 8 12 2 16 3 2 2 4 27 8 7 11 21 10 5 2 2 5 2 1 1 6 3 1 1 5 3 2 2 3 9 7 2 2 2 1 1 2 1 3 2 2 5 3 2 4 27 32 6 2 2 3 4 2 5 6 2 1 1 1 1 2 2 1 1 1 1 1 1 0 1 2 1 0 3 2 21 8 7 21 100 12 1 10 8 3 0 1 12 1 1 1 2 1 0 2 2 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1 1 0 1 1 2 1 1 1 1 1 2 1 1 1 2 2 3 2 8 9 11 59 7 4 2 2 2 1 2 2 1 42 2 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 1 1 1 0 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 d 1H J 25 | 74 74 dd 1H J 25 83 | 72 72 dt 1H J 9 82 | 47 47 d 2H J 7 | 33 32 d 2H J 51 | 19 18 dtt 1H J 51 74 147 | 10 10 d 6H J 74
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
N#CC1CCN(CCCN2C(=O)c3ccccc3C2=O)C1
ir: 1 3 1 2 5 1 2 1 0 1 1 0 1 1 3 2 7 1 1 1 1 1 1 0 1 1 1 2 0 1 1 1 1 2 6 9 3 3 25 75 48 9 3 0 1 2 2 2 3 2 2 1 2 1 2 2 1 2 1 1 2 6 2 2 2 2 1 3 5 9 5 4 5 3 2 1 1 1 3 10 8 2 1 1 1 2 12 7 5 4 1 1 2 1 2 3 4 4 2 1 1 1 1 5 2 3 2 1 3 3 10 7 2 2 0 1 2 1 2 7 17 17 10 6 4 3 3 5 2 1 1 5 100 3 5 5 3 32 17 1 1 1 1 1 1 1 1 1 1 1 1 1 4 10 19 8 4 1 1 4 4 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 15 14 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 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 1 1 1 1 1 2 2 3 1 2 2 1 2 2 1 4 4 2 11 15 14 6 1 1 2 1 1 1 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 1 1 1 0 1 1 1 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 0 1 1; 1HNMR: 79 78 dd 2H J 31 51 | 77 77 dd 2H J 31 51 | 39 39 t 2H J 64 | 30 30 tt 1H J 28 38 | 30 29 m 1H | 29 28 ddd 1H J 37 55 114 | 27 25 m 4H | 21 20 ddt 1H J 36 55 116 | 20 19 p 2H J 62 | 18 17 ddt 1H J 37 55 122
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
COCCCOc1ccnc(CSc2nc3ccccc3[nH]2)c1
ir: 23 25 25 26 43 30 27 26 24 26 29 27 28 35 32 53 37 49 31 28 26 28 24 24 23 25 23 22 22 23 24 23 32 27 27 23 30 30 25 24 28 30 28 45 28 30 28 25 24 24 24 29 29 51 26 26 28 24 23 21 24 24 25 25 36 39 32 49 33 32 30 27 25 39 30 29 24 24 27 26 23 23 23 25 24 25 22 22 24 26 27 24 23 23 23 23 30 24 22 22 23 23 23 23 25 24 36 26 25 24 23 24 24 27 23 23 25 23 23 24 23 26 25 23 24 26 25 25 24 23 24 26 32 29 25 25 28 45 25 26 24 24 24 63 29 23 25 26 26 27 28 0 71 16 20 29 24 19 22 34 81 29 26 24 23 21 22 23 22 21 22 24 22 21 22 23 22 21 22 23 22 21 22 23 22 21 23 23 22 22 22 23 22 22 23 23 22 22 23 23 22 22 23 23 22 22 23 23 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 21 22 23 22 21 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 23 23 22 22 23 23 22 22 23 23 22 23 23 23 22 22 23 23 22 23 24 24 23 25 25 25 23 23 23 25 26 38 22 37 100 57 32 24 21 24 25 23 22 23 23 22 22 23 24 23 22 23 23 22 22 23 23 22 25 36 52 26 24 23 23 22 22 23 23 22 22 23 23 22 22 23 23 22 22 23 22 22 22 23 22 22 23 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 23 23 22 22 23 23 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23 22 22 22 23; 1HNMR: 82 82 s 1H | 82 81 d 1H J 51 | 76 75 m 1H | 75 74 m 1H | 72 71 m 2H | 70 70 dt 1H J 9 20 | 68 68 dd 1H J 22 51 | 48 48 d 2H J 7 | 41 40 t 2H J 63 | 36 35 t 2H J 64 | 33 33 s 2H | 21 20 p 2H 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(c2ccc(CC(=O)O)cc2)C(OCc2ccc3ccccc3c2)C1
ir: 4 2 3 3 4 3 2 3 4 4 9 18 7 4 4 8 4 4 2 6 11 13 20 13 9 2 4 1 2 1 1 2 2 1 1 1 1 0 2 2 1 1 5 8 5 5 3 2 3 5 2 3 19 11 5 15 16 8 2 3 1 7 3 4 2 1 2 1 3 5 3 2 1 1 7 2 3 3 10 2 4 1 1 2 1 1 2 3 2 2 1 3 4 12 5 5 2 4 6 1 3 7 5 12 6 2 2 1 2 4 3 1 2 2 2 1 3 3 7 6 5 8 22 23 20 5 3 3 2 3 4 6 4 3 2 6 3 4 3 2 3 2 4 13 11 4 3 5 10 4 7 100 9 9 2 1 1 4 1 1 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 2 2 1 1 2 3 1 1 2 2 2 3 7 8 11 17 31 16 6 3 2 2 2 2 3 8 5 3 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 1 0 0; 1HNMR: 80 79 m 1H | 78 78 ddd 1H J 13 21 79 | 77 76 m 2H | 76 75 ddd 1H J 14 69 85 | 75 74 ddt 1H J 9 70 78 | 74 73 ddt 1H J 8 17 73 | 72 72 dt 2H J 9 83 | 72 71 m 2H | 47 46 dt 1H J 9 117 | 46 45 dt 1H J 8 116 | 42 41 dt 1H J 33 64 | 40 39 dd 1H J 33 119 | 37 36 m 2H | 36 35 t 2H J 9 | 35 34 ddd 1H J 60 87 121 | 33 32 m 1H | 22 21 ddt 1H J 59 86 130 | 19 18 ddt 1H J 58 86 130 | 15 14 s 7H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCC(C)C(=O)c1ccc(Cc2ccccc2OC)cc1
ir: 7 5 4 5 6 6 4 6 5 7 2 7 6 4 4 4 7 5 7 5 6 4 4 6 4 4 4 5 8 8 10 8 7 4 5 15 18 31 11 9 13 14 51 47 14 6 6 6 6 3 5 7 6 5 7 7 8 28 8 8 5 5 11 12 11 6 5 7 5 6 10 6 4 4 6 6 3 4 4 4 4 4 5 7 7 4 4 11 9 9 10 9 3 4 5 5 6 6 11 7 4 6 8 7 5 8 9 10 6 5 8 8 7 7 20 21 8 11 12 9 6 7 12 10 8 11 8 6 5 5 6 6 4 7 10 11 11 37 6 6 17 53 26 13 4 6 6 7 13 34 22 13 5 5 5 4 4 6 5 8 4 5 4 5 4 4 4 3 3 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 5 4 4 4 6 4 3 5 7 5 3 4 7 6 6 10 15 22 0 35 100 33 23 11 3 5 7 5 4 4 5 4 4 4 4 4 4 4 4 4 4 4 3 4 4 4 3 4 4 3 4 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3 3 4 4 3; 1HNMR: 78 78 m 2H | 73 72 ddt 1H J 8 18 76 | 72 71 m 3H | 70 70 td 1H J 11 76 | 69 69 dd 1H J 10 75 | 39 39 q 2H J 9 | 38 38 s 2H | 34 33 ddqd 1H J 16 61 75 91 | 18 17 dqd 1H J 61 79 126 | 15 14 dqd 1H J 60 78 124 | 11 11 d 3H J 77 | 9 9 td 3H J 15 79
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CC(=O)c1ccc(Cn2ccc(NC(=O)c3ncsc3-c3ccccc3F)n2)o1
ir: 2 4 2 1 1 2 20 5 8 5 3 4 2 5 4 1 1 2 2 1 9 3 12 1 1 2 5 2 4 14 5 1 7 3 6 1 1 3 3 0 3 10 100 22 18 5 2 4 3 3 4 9 13 23 46 45 19 20 15 7 9 12 7 5 19 5 5 2 5 5 9 6 20 6 3 16 7 10 10 8 10 5 3 1 3 7 6 11 20 5 1 1 2 7 4 7 5 5 2 4 4 2 1 15 2 2 1 1 3 3 2 6 10 3 1 2 4 7 31 8 13 8 2 5 7 8 4 8 7 5 4 3 2 3 1 4 3 29 1 3 5 10 42 18 7 3 12 18 33 22 16 44 32 6 7 1 3 15 66 19 2 1 1 3 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 0 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 0 1 1 1 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 1 1 2 3 1 2 2 1 2 2 3 4 6 8 18 12 44 15 46 21 6 13 5 3 5 4 3 1 1 2 2 2 2 2 3 3 2 7 12 35 42 5 8 9 6 3 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 1; 1HNMR: 91 91 s 1H | 87 87 s 1H | 77 77 m 1H | 75 73 m 5H | 71 71 d 1H J 46 | 68 68 dt 1H J 8 45 | 63 63 d 1H J 31 | 53 53 d 2H J 9 | 24 24 s 2H
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
CCOC(=O)c1cc(C(=O)OCC)n(CCBr)c1
ir: 6 8 10 9 14 22 29 15 4 6 8 11 10 55 13 6 5 5 6 4 3 15 27 19 6 36 86 77 34 10 31 16 4 12 8 2 3 6 6 2 3 6 4 1 3 8 6 3 3 8 6 3 5 7 6 9 8 7 4 0 5 12 5 11 4 6 4 2 5 9 10 3 9 9 23 55 26 15 4 2 5 6 2 2 6 7 8 4 6 8 15 100 16 11 3 3 6 5 2 3 6 5 4 6 7 16 56 20 19 7 3 8 24 27 16 33 93 76 52 24 8 6 4 7 21 44 14 19 34 22 4 5 7 2 2 6 7 23 15 10 7 3 2 31 49 7 7 5 32 34 9 5 5 3 4 19 27 14 6 7 6 15 3 5 4 1 3 6 4 1 3 6 3 1 4 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 6 3 2 5 5 2 2 5 4 2 2 5 4 2 3 5 4 2 3 5 4 1 3 6 4 1 3 6 4 1 3 6 3 1 3 6 3 1 4 6 3 1 4 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 5 3 2 5 5 2 3 5 5 2 3 5 5 2 3 6 6 4 5 10 14 13 11 10 7 6 6 7 8 17 43 11 5 5 12 25 64 32 24 12 7 5 5 5 3 2 4 5 3 2 4 5 3 2 4 5 2 2 4 4 2 2 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 1 3 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 5 3 2 4 4 2 2 4 4 2 3 4 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 4 2 3 5 3 2 3 5; 1HNMR: 76 76 d 1H J 16 | 74 74 dt 1H J 9 16 | 45 45 td 2H J 9 26 | 44 43 q 2H J 64 | 43 42 q 2H J 64 | 37 37 t 2H J 25 | 14 13 dt 6H J 64 170
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.
OCCNCc1ccc(F)cc1
ir: 2 2 2 5 11 6 9 11 10 23 15 18 16 8 7 9 5 6 4 3 4 4 4 2 3 4 2 1 2 1 2 1 2 3 5 11 6 1 3 2 4 9 10 6 9 8 14 9 8 2 8 12 12 37 27 24 14 16 16 16 3 5 5 4 3 6 2 3 20 11 8 3 6 6 7 2 2 3 2 2 3 1 3 3 6 9 37 31 18 8 9 4 5 4 3 3 4 8 5 2 1 3 7 1 1 1 2 4 2 55 62 23 28 7 6 2 3 2 0 1 2 1 2 2 6 3 3 2 2 3 5 5 5 16 32 14 2 2 2 2 1 1 1 1 1 2 4 6 11 2 2 5 5 1 1 1 1 1 1 1 1 1 0 2 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 1 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 1 0 1 1 0 0 1 1 0 0 1 1 0 0 1 1 0 1 1 1 1 1 1 1 0 0 1 1 0 1 1 1 1 1 1 1 2 6 6 37 34 8 5 5 1 7 8 78 32 3 2 3 2 1 3 2 3 4 16 62 100 32 6 3 3 2 1 1 1 1 1 1 0 1 1 1 1 1 1 0 0 1 0 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 0 1 0 0 0 1 0 0 1 1 0 0 1 1 0 0 1 1 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 0 0 1 1; 1HNMR: 73 73 ddt 2H J 9 35 79 | 71 70 m 2H | 42 42 p 1H J 54 | 39 39 dt 2H J 9 52 | 37 36 dt 2H J 43 58 | 34 33 t 1H J 57 | 30 29 dt 2H J 42 57
You are an expert in IR and 1H NMR analysis. Generate the corresponding SMILES structure from the given spectra.