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2-(1-Methyl-2-oxo-2-phenylethyl)benzoic acid

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

2-(1-Methyl-2-oxo-2-phenylethyl)benzoic acid
SpectraBase Compound ID Gtfd49TXcew
InChI InChI=1S/C16H14O3/c1-11(15(17)12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(18)19/h2-11H,1H3,(H,18,19)
InChIKey NOXQSAGHTHUFPX-UHFFFAOYSA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F6jsOhz33QT
Name 2-(1-Methyl-2-oxo-2-phenylethyl)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.094294308 u
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-11(15(17)12-7-3-2-4-8-12)13-9-5-6-10-14(13)16(18)19/h2-11H,1H3,(H,18,19)
InChIKey NOXQSAGHTHUFPX-UHFFFAOYSA-N
Molecular Weight 254.285 g/mol
SMILES C(C=1C(=CC=CC1)C(C(C=1C=CC=CC1)=O)C)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909495