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3-(2-Methylphenyl)butanoic acid
SpectraBase Compound ID 8ucGthgaaQe
InChI InChI=1S/C11H14O2/c1-8-5-3-4-6-10(8)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey KDNXCJOQOJLCNJ-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 FLUn1Kib2jq
Name 3-(2-Methylphenyl)butanoic acid
CAS Registry Number 72851-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8-5-3-4-6-10(8)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13)
InChIKey KDNXCJOQOJLCNJ-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES OC(CC(c1c(C)cccc1)C)=O
SPLASH splash10-014i-2900000000-18c30d43b9a6d0bc1f9e
Source of Spectrum J-51-1405-10
Synonyms 3-(o-tolyl)butanoic acid 3-(o-tolyl)butyric acid
Wiley ID 1174338