Caffeic acid phenethyl ester

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Systematic / IUPAC Name: 2-Phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

ID: Reference13895

Other Names: AA-4396

Formula: C17H16O4

Class: Endogenous Metabolites

Spectral Data

Caffeic acid phenethyl ester mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 575
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/5/2026 8:03:00 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
InChI Key SWUARLUWKZWEBQ-VQHVLOKHSA-N
Canonical SMILES O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccccc1
CAS
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Other Names AA-4396

In Other Databases

ChEBI CHEBI:8062
ChEMBL CHEMBL319244
Wikipedia Caffeic acid phenethyl ester
KEGG C10484
ChemSpider 4445100
PubChem 5281787; 5281787