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3-phenylbutyric acid methyl ester
SpectraBase Compound ID 8NkRw3VGp8q
InChI InChI=1S/C11H14O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey DSWKGCIHFICHAC-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 CfNBJcvWKXz
Name Benzenepropanoic acid, .beta.-methyl-, methyl ester
CAS Registry Number 3461-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey DSWKGCIHFICHAC-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES c1cc(ccc1)C(C)CC(=O)OC
SPLASH splash10-0006-9400000000-eda229c2b1c1ed6f0de0
Source of Spectrum IC-379-0-0
Synonyms 3-Phenylbutanoic acid methyl ester 3-Phenylbutyric acid methyl ester Hydrocinnamic acid, .beta.-methyl-, methyl ester Methyl 3-phenylbutanoate Methyl 3-phenylbutyrate Methyl ester of .beta.-Methylbenzenepropanoic acid
Wiley ID 1174120