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2,2-Dimethyl-1-oxidanidyl-5-(phenylcarbonyl)-3H-pyrrol-1-ium-4-one
SpectraBase Compound ID KzqbYOr3PIO
InChI InChI=1S/C13H13NO3/c1-13(2)8-10(15)11(14(13)17)12(16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey FDCAJZHLVBOGNN-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JLPpfRFLElv
Name 2,2-Dimethyl-1-oxidanidyl-5-(phenylcarbonyl)-3H-pyrrol-1-ium-4-one
CAS Registry Number 64388-49-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-13(2)8-10(15)11(14(13)17)12(16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey FDCAJZHLVBOGNN-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES C(=O)(C=1C(=O)CC(C)(C)[N+]1[O-])c1ccccc1
SPLASH splash10-0a6r-7900000000-3fbc778e0c2f80fb80ed
Source of Spectrum B-30-1361-0
Synonyms 2-Benzoyl-5,5-dimethyl-1-oxido-1-pyrrolin-1-ium-3-one 5-Benzoyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one
Wiley ID 1232749