2-Acetylpyrrole

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Systematic / IUPAC Name: 1-(1H-Pyrrol-2-yl)ethanone

ID: Reference13812

Other Names: AA-4231

Formula: C6H7NO

Class: Endogenous Metabolites

Spectral Data

2-Acetylpyrrole 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 105
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/16/2026 7:41:28 PM
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Identificators

InChI InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChI Key IGJQUJNPMOYEJY-UHFFFAOYSA-N
Canonical SMILES CC(=O)c1ccc[nH]1
CAS
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Other Names AA-4231

In Other Databases

ChEBI CHEBI:59981
ChemSpider 13459
ChEMBL CHEMBL1414126
PubChem 14079; 14079
HMDb HMDB35882