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2-Acetylpyrrole
SpectraBase Compound ID K8B4NnHJ2jW
InChI InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChIKey IGJQUJNPMOYEJY-UHFFFAOYSA-N
Mol Weight 109.13 g/mol
Molecular Formula C6H7NO
Exact Mass 109.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BH9H2BBsjqw
Name Pyrrole <2-acetyl->
Source of Sample SAFC Cat.no. W320218
CAS Registry Number 1072-83-9
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 109.052763848 u
Formula C6H7NO
InChI InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChIKey IGJQUJNPMOYEJY-UHFFFAOYSA-N
Molecular Weight 109.128 g/mol
Number of Peaks 39
RI1 1074
RI2 748
SMILES [nH]1cccc1C(C)=O
SPLASH splash10-05mo-9300000000-d5bb1917f2a363b35e17
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Ethanone, 1-(1H-pyrrol-2-yl)-
Wiley ID LM_FFNSC3_764