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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwgMPFDNlx2
Name 2-[2'-Oxo-3'-butenyl-(4'-phenyl)]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC(c1c(CC(\C=C\c2ccccc2)=O)cccc1)=O
SPLASH splash10-052b-0970000000-713a0b1a23273f6c8752
Source of Spectrum F7-20-64-5
Synonyms 2-[(3E)-2-oxo-4-phenyl-3-butenyl]benzoic acid
Wiley ID 1556942