5-Phenylvaleric acid

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Systematic / IUPAC Name: 5-Phenylpentanoic acid

ID: Reference13662

Other Names: Benzenepentanoic acid;
AA-3766

Formula: C11H14O2

Class: Endogenous Metabolites

Spectral Data

5-Phenylvaleric 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 2
No. of Spectra 688
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 11/21/2025 10:27:18 AM
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Identificators

InChI InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChI Key BYHDDXPKOZIZRV-UHFFFAOYSA-N
Canonical SMILES O=C(O)CCCCc1ccccc1
CAS
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Other Names Benzenepentanoic acid;
AA-3766

In Other Databases

ChEBI CHEBI:40131
PubChem 16757
ChEMBL CHEMBL443064
HMDb HMDB02043
DrugBank DB04051
ChemSpider 15886