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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 Dsmw0hOTxmC
Name Benzenebutanoic acid, .beta.-methyl-
CAS Registry Number 7315-68-6
Copyright Copyright © 2020-2024 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(C)Cc1ccccc1)=O
SPLASH splash10-014l-9600000000-a3d7773b6f8ce3591015
Source of Spectrum EP-4057-0-0
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 1174093