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4-Phenyl-butyric acid, methyl ester

View entire compound with spectra: 4 NMR, 3 FTIR, and 8 MS (GC)

4-Phenyl-butyric acid, methyl ester
SpectraBase Compound ID LKNxJ3EXGmh
InChI InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey YRYZGVBKMWFWGT-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 6HAbit1Z5C4
Name Benzenebutanoic acid, methyl ester
Alternate Name(s) 4-Phenylbutanoic acid methyl ester Methyl 4-phenylbutanoate 4-Phenylbutyric acid methyl ester Butyric acid, 4-phenyl-, methyl ester Methyl 4-phenylbutyrate Methyl ester of benzenebutanoic acid
CAS Registry Number 2046-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey YRYZGVBKMWFWGT-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
SMILES C(=O)(OC)CCCc1ccccc1
SPLASH splash10-0597-7900000000-bca8743796871ae60762
Source of Spectrum F9-1992-2352-0
Wiley ID 1566645