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2-Phenylbutyric acid

View entire compound with spectra: 6 NMR, 8 FTIR, 1 Raman, and 9 MS (GC)

2-Phenylbutyric acid
SpectraBase Compound ID Du0r3i22lo
InChI InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChIKey OFJWFSNDPCAWDK-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3MxHhupt2Mq
Name 2-Phenylbutyric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number P20955
CAS Registry Number 90-27-7
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI 1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChIKey OFJWFSNDPCAWDK-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (+/-)-2-Phenylbutyric acid; alpha-Ethylphenylacetic acid
Wiley ID SIAL_1HNMR_012479