Chem
J-GLOBAL ID：200907063408252646   Nikkaji number：J2.228.068F

α-Phenacyl-4-methoxybenzylmalonic acid dibutyl ester

α-フェナシル-4-メトキシベンジルマロン酸ジブチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H34O6
Molecular formula furigana： C27-H34-O6
Molecular weight： 454.563
InChI： InChI=1S/C27H34O6/c1-4-6-17-32-26(29)25(27(30)33-18-7-5-2)23(20-13-15-22(31-3)16-14-20)19-24(28)21-11-9-8-10-12-21/h8-16,23,25H,4-7,17-19H2,1-3H3
InChI key： KJJDGXVYSWOQFZ-UHFFFAOYSA-N
SMILES： CCCCOC(=O)C(C(CC(=O)c1ccccc1)c1ccc(OC)cc1)C(=O)OCCCC
Systematic name  (4)：
  • α-フェナシル-4-メトキシベンジルマロン酸ジブチル
  • 2-[1-(4-メトキシフェニル)-3-フェニル-3-オキソプロピル]マロン酸ジブチル
  • 1,3-ジブチル 2-[1-(4-メトキシフェニル)-3-オキソ-3-フェニルプロピル]プロパンジオアート
  • 1,3-dibutyl 2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedioate
Other name (2)：
  • α-Phenacyl-4-methoxybenzylmalonic acid dibutyl ester
  • 2-[1-(4-Methoxyphenyl)-3-phenyl-3-oxopropyl]malonic acid dibutyl ester
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