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Benzenepropanoic acid, .beta.-acetyl-.alpha.-phenyl-
SpectraBase Compound ID EaIj12atyS
InChI InChI=1S/C17H16O3/c1-12(18)15(13-8-4-2-5-9-13)16(17(19)20)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,19,20)
InChIKey WHJNBNISTKPODA-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xMnqipsdJ
Name Benzenepropanoic acid, .beta.-acetyl-.alpha.-phenyl-
Alternate Name(s) 4-Oxo-2,3-diphenylpentancarboxylic acid 4-Oxo-2,3-diphenylpentanoic acid Levulinic acid, 2,3-diphenyl-
CAS Registry Number 58949-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O3
InChI InChI=1S/C17H16O3/c1-12(18)15(13-8-4-2-5-9-13)16(17(19)20)14-10-6-3-7-11-14/h2-11,15-16H,1H3,(H,19,20)
InChIKey WHJNBNISTKPODA-UHFFFAOYSA-N
Molecular Weight 268.312 g/mol
SMILES OC(C(C(C(=O)C)c1ccccc1)c1ccccc1)=O
SPLASH splash10-001l-5910000000-e04305543e0b26114991
Source of Spectrum K-109-595-0
Wiley ID 1272471