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3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-2-phenyl-, 1-oxide
SpectraBase Compound ID 3uM6IoncTRY
InChI InChI=1S/C12H13NO2/c1-12(2)8-10(14)11(13(12)15)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey QTJPSFICSXPSBH-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwQ1e928Afh
Name 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-2-phenyl-, 1-oxide
Alternate Name(s) 2,2-Dimethyl-1-oxidanidyl-5-phenyl-3H-pyrrol-1-ium-4-one 2,2-Dimethyl-1-oxido-5-phenyl-3H-pyrrol-1-ium-4-one 5,5-Dimethyl-1-oxido-2-phenyl-1-pyrrolin-1-ium-3-one 5,5-Dimethyl-3-oxo-2-phenyl-1-pyrroline, 1-oxide
CAS Registry Number 53182-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-12(2)8-10(14)11(13(12)15)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey QTJPSFICSXPSBH-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES C1(=[N+](C(CC1=O)(C)C)[O-])c1ccccc1
SPLASH splash10-0gb9-5980000000-23b27ab4402bfd79915c
Source of Spectrum B-29-2564-0
Wiley ID 1200828