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2-[2'-Oxo-3'-butenyl-(4'-phenyl)]benzoic acid

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

2-[2'-Oxo-3'-butenyl-(4'-phenyl)]benzoic acid
SpectraBase Compound ID KkaQyWJ5YHB
InChI InChI=1S/C17H14O3/c18-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)17(19)20/h1-11H,12H2,(H,19,20)/b11-10+
InChIKey OQDRGMCMERSHJU-ZHACJKMWSA-N
Mol Weight 266.3 g/mol
Molecular Formula C17H14O3
Exact Mass 266.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ctf2Tt7v7E
Name 2-[2'-oxo-3'-Butenyl-(4'-phenyl)]benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.094294308 u
Formula C17H14O3
InChI InChI=1S/C17H14O3/c18-15(11-10-13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)17(19)20/h1-11H,12H2,(H,19,20)/b11-10+
InChIKey OQDRGMCMERSHJU-ZHACJKMWSA-N
Molecular Weight 266.296 g/mol
SMILES C(C=1C(CC(\C=C\C2=CC=CC=C2)=O)=CC=CC1)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96682