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2-Benzoyl-4-keto-4-phenyl-butyric acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Benzoyl-4-keto-4-phenyl-butyric acid methyl ester
SpectraBase Compound ID KIKSi4WtRPS
InChI InChI=1S/C18H16O4/c1-22-18(21)15(17(20)14-10-6-3-7-11-14)12-16(19)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKey LDQKQIYASULQJR-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LjXPN4Ez76y
Name 2-Benzoyl-4-keto-4-phenyl-butyric acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.104858991 u
Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-22-18(21)15(17(20)14-10-6-3-7-11-14)12-16(19)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKey LDQKQIYASULQJR-UHFFFAOYSA-N
SMILES C(C(CC(C=1C=CC=CC1)=O)C(C=1C=CC=CC1)=O)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856202