Phenylacetic acid

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Systematic / IUPAC Name: Phenylacetic acid

ID: Reference5530

Other Names: α-Toluic acid;
α-Tolylic acid;
a-Toluic acid;
ω-Phenylacetic acid;
2-Phenylacetic acid ; more

Formula: C8H8O2

Class: Drugs of Abuse/Illegal Drugs Endogenous Metabolites Personal Care Products/Cosmetics

Spectral Data

Phenylacetic 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 44
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/18/2016 5:32:07 AM
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Identificators

InChI InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChI Key WLJVXDMOQOGPHL-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CC(=O)O
CAS 103822
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Other Names α-Toluic acid;
α-Tolylic acid;
a-Toluic acid;
ω-Phenylacetic acid;
2-Phenylacetic acid;
2-Phenylethanoate;
Acetic acid, phenyl-;
Benzenacetic acid;
Benzeneacetic acid;
Benzeneacetiic acid;
Benzylcarboxylic acid;
Benzylformic acid;
Phenylethanoic acid;
Phenyllacetic acid

In Other Databases

ChEMBL CHEMBL1044
HMDb HMDB00209
PubChem 999
Wikipedia Phenylacetic acid
ChEBI CHEBI:30745
ChemSpider 10181341; 21170380; 21170785; 21171104; 21171105
KEGG C07086