Piperonyl acetone

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Systematic / IUPAC Name: 4-(1,3-Benzodioxol-5-yl)butan-2-one

ID: Reference13784

Other Names: 4-(1,3-Benzodioxol-5-yl)-2-butanone;
AA-3884

Formula: C11H12O3

Class: Endogenous Metabolites

Spectral Data

Piperonyl acetone 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 450
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/3/2026 2:15:41 PM
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Identificators

InChI InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
InChI Key TZJLGGWGVLADDN-UHFFFAOYSA-N
Canonical SMILES CC(=O)CCc1ccc2c(c1)OCO2
CAS
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Other Names 4-(1,3-Benzodioxol-5-yl)-2-butanone;
AA-3884

In Other Databases

HMDb HMDB0041481
ChemSpider 55934
PubChem 62098
ChEMBL CHEMBL3184992