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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GjIM6d4qcY
Name 4-Phenyl-butanoic acid
CAS Registry Number 1821-12-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian CFT-20
Literature Reference E.A. Hill, H.E. Guenther, Org. Magn. Resonance 16, 177 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CH3OCH3