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3-(4-methylphenyl)butyric acid
SpectraBase Compound ID KFb8NGEqIgm
InChI InChI=1S/C11H14O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey ZWWPDLKCTGONCK-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWzlIHq7np
Name 3-(4-Methylphenyl)butanoic acid
CAS Registry Number 93922-52-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey ZWWPDLKCTGONCK-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES OC(CC(c1ccc(cc1)C)C)=O
SPLASH splash10-014i-1900000000-715de992336f8b9e13f9
Source of Spectrum C-115-1256-31
Synonyms 3-(p-tolyl)butanoic acid 3-(p-tolyl)butyric acid
Wiley ID 1174300