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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 JXFRzdq6dh6
Name 4-Phenylbutyric acid methyl ester
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
Ionization Type EI-B
Molecular Weight 178.231 g/mol
SMILES COC(=O)CCCc1ccccc1
SPLASH splash10-0f6x-6900000000-9d6d36902d8cc5f8305b
Source of Spectrum SRH-2022-4233-0
Synonyms 4-Benzenebutanoic acid methyl ester
Wiley ID 1826394