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Benzenepentanoic acid, .gamma.-acetyl-.beta.-oxo-.delta.-phenyl-, methyl ester
SpectraBase Compound ID 2PKVOPxLRnE
InChI InChI=1S/C20H20O4/c1-14(21)19(17(22)13-18(23)24-2)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19-20H,13H2,1-2H3
InChIKey KGCMXBXZIOTHDM-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eJ6QsFyE5N
Name Benzenepentanoic acid, .gamma.-acetyl-.beta.-oxo-.delta.-phenyl-, methyl ester
CAS Registry Number 111422-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-14(21)19(17(22)13-18(23)24-2)20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19-20H,13H2,1-2H3
InChIKey KGCMXBXZIOTHDM-UHFFFAOYSA-N
Molecular Weight 324.376 g/mol
SMILES C(C(C(c1ccccc1)c1ccccc1)C(=O)C)(CC(=O)OC)=O
SPLASH splash10-014i-1960000000-63d0226eac99bb15861b
Source of Spectrum F-46-2042-5
Synonyms Methyl 4-benzhydryl-3,5-dioxohexanoate
Wiley ID 1323431