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(S)-(+)-2-Phenylbutyric acid

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 1 MS (GC)

(S)-(+)-2-Phenylbutyric acid
SpectraBase Compound ID 1JvqXjAufIj
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)/t9-/m0/s1
InChIKey OFJWFSNDPCAWDK-VIFPVBQESA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GeeII5YOQOm
Name (S)-(+)-2-Phenylbutyric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 279889
CAS Registry Number 4286-15-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
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)/t9-/m0/s1
InChIKey OFJWFSNDPCAWDK-VIFPVBQESA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (S)-2-Phenylbutanoic acid (2S)-2-Phenylbutyric acid (2S)-2-Phenylbutanoic acid (S)-(+)-alpha-Ethylphenylacetic acid
Wiley ID SIAL_13CNMR_005179