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2-Benzyl-4-oxo-4-phenyl-butanoic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Benzyl-4-oxo-4-phenyl-butanoic acid
SpectraBase Compound ID CxZB30Q8zAE
InChI InChI=1S/C17H16O3/c18-16(14-9-5-2-6-10-14)12-15(17(19)20)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,20)
InChIKey QPORTTBGWVROJY-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C17H16O3
Exact Mass 268.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 24BcnTyB0HU
Name 2-Benzyl-4-oxo-4-phenyl-butanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.109944372 u
Formula C17H16O3
InChI InChI=1S/C17H16O3/c18-16(14-9-5-2-6-10-14)12-15(17(19)20)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,20)
InChIKey QPORTTBGWVROJY-UHFFFAOYSA-N
Molecular Weight 268.312 g/mol
SMILES C1(=CC=CC=C1)C(=O)CC(CC1=CC=CC=C1)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951196