2-Phenylbutyric acid

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Systematic / IUPAC Name: 2-Phenylbutanoic acid

ID: Reference13796

Other Names: AA-3746

Formula: C10H12O2

Class: Endogenous Metabolites

Spectral Data

2-Phenylbutyric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 195
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 2/25/2026 7:21:43 PM
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Identificators

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)
InChI Key OFJWFSNDPCAWDK-UHFFFAOYSA-N
Canonical SMILES CCC(C(=O)O)c1ccccc1
CAS
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Other Names AA-3746

In Other Databases

HMDb HMDB0000329
ChEMBL CHEMBL1616045
PubChem 7012
ChemSpider 6745
ChEBI CHEBI:86545