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(4S,5R)-Ethyl 5-acetyl-4-(2-hydroxy)phenyl-1H-pyrazoline-3-carboxylate
SpectraBase Compound ID LIgdWcCpSP6
InChI InChI=1S/C14H16N2O4/c1-3-20-14(19)13-11(12(8(2)17)15-16-13)9-6-4-5-7-10(9)18/h4-7,11-12,15,18H,3H2,1-2H3/t11-,12-/m0/s1
InChIKey KVJWBQLFNYUONG-RYUDHWBXSA-N
Mol Weight 276.29 g/mol
Molecular Formula C14H16N2O4
Exact Mass 276.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXJyxlCOh2m
Name (4S,5R)-Ethyl 5-acetyl-4-(2-hydroxy)phenyl-1H-pyrazoline-3-carboxylate
Alternate Name(s) (4S,5R)-5-Acetyl-4-(2-hydroxy-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester Ethyl (4S,5R)-5-acetyl-4-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Ethyl 5-acetyl-4-(2-hydroxy)phenyl-1H-pyrazoline-3-carboxylate
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Formula C14H16N2O4
InChI InChI=1S/C14H16N2O4/c1-3-20-14(19)13-11(12(8(2)17)15-16-13)9-6-4-5-7-10(9)18/h4-7,11-12,15,18H,3H2,1-2H3/t11-,12-/m0/s1
InChIKey KVJWBQLFNYUONG-RYUDHWBXSA-N
Molecular Weight 276.292 g/mol
SMILES N1[C@]([C@](c2c(cccc2)O)(C(=N1)C(=O)OCC)[H])(C(=O)C)[H]
SPLASH splash10-0fb9-2790000000-7cb7fe4eac423db11283
Source of Spectrum F-50-13034-18
Wiley ID 790158