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4-Phenylbutyric acid

View entire compound with spectra: 5 NMR, 6 FTIR, 10 MS (GC), and 2 Near IR

4-Phenylbutyric acid
SpectraBase Compound ID F9zjdR4G5vL
InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChIKey OBKXEAXTFZPCHS-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKfO1VvtyTX
Name Benzenebutanoic acid
CAS Registry Number 1821-12-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChIKey OBKXEAXTFZPCHS-UHFFFAOYSA-N
Molecular Weight 164.204 g/mol
SMILES OC(=O)CCCc1ccccc1
SPLASH splash10-0udl-9700000000-e01a08ba8a6053bc154e
Synonyms .gamma.-Phenyl-n-butyric acid Butyric acid, 4-phenyl- .gamma.-Phenylbutyric acid .omega.-Phenylbutanoic acid 1-Phenylbutyric acid 4-Phenyl-butyric acid 4-Phenylbutanoic acid 4-Phenyl-n-butyric acid Benzenebutyric acid Gamma-phenyl-n-butyric acid gamma-Phenylbutyric acid Omega-phenylbutanoic acid Phenylbutyric acid AI3-12065 EINECS 217-341-8 NSC 295
Wiley ID 1486433