4-Acetocatechol

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Systematic / IUPAC Name: 1-(3,4-Dihydroxyphenyl)ethanone

ID: Reference13754

Other Names: 4-Acetopyrocatechol;
3',4'-Dihydroxyacetophenone;
AA-4034

Formula: C8H8O3

Class: Endogenous Metabolites

Spectral Data

4-Acetocatechol 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 165
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 1/23/2026 4:35:16 PM
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Identificators

InChI InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
InChI Key UCQUAMAQHHEXGD-UHFFFAOYSA-N
Canonical SMILES CC(=O)c1ccc(O)c(O)c1
CAS
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Other Names 4-Acetopyrocatechol;
3',4'-Dihydroxyacetophenone;
AA-4034

In Other Databases

ChemSpider 13873
PubChem 14530
KEGG C10675
ChEBI CHEBI:19868
ChEMBL CHEMBL243161
HMDb HMDB29661