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Benzenebutanoic acid, .beta.-methyl-
SpectraBase Compound ID KA9w2es2l0j
InChI InChI=1S/C11H14O2/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKey CJBVVZBGGFKPDA-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 F6x3Rxl7PjH
Name Benzenebutanoic acid, .beta.-methyl-
CAS Registry Number 7315-68-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-9(8-11(12)13)7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKey CJBVVZBGGFKPDA-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES OC(CC(Cc1ccccc1)C)=O
SPLASH splash10-014l-7900000000-8cee403d3f03123b7f68
Source of Spectrum JX-2015-6-5993
Synonyms 3-Methyl-4-phenylbutanoic acid .beta.-Benzyl-.beta.-methylpropionic acid 3-Methyl-4-phenyl-butyric acid Butyric acid, 3-methyl-4-phenyl- 3-Methyl-4-phenyl-butanoic acid BRN 1948186
Wiley ID 1729286