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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID B3J7KkDnFvY
Name 4-Phenylbutyric acid
Source of Sample Aldrich
Catalog Number P21005
CAS Registry Number 1821-12-1
Classification Aromatic carboxylic acids
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 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
Purity 99%
Source of Spectrum Sigma-Aldrich Co. LLC.
Technique Melt
Wiley ID SIAL_FTIR_1_10560