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2-(5,5-dimethyl-3-oxo-1-cyclohexen-1-ylamino)-1,4-benzoquinone
SpectraBase Compound ID I6qBf4zCWcu
InChI InChI=1S/C14H15NO3/c1-14(2)7-9(5-11(17)8-14)15-12-6-10(16)3-4-13(12)18/h3-6,15H,7-8H2,1-2H3
InChIKey PNOFJCHDWFDYLN-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGPxOMwZlPl
Name 2-(5,5-dimethyl-3-oxo-1-cyclohexen-1-ylamino)-1,4-benzoquinone
CAS Registry Number 117527-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-14(2)7-9(5-11(17)8-14)15-12-6-10(16)3-4-13(12)18/h3-6,15H,7-8H2,1-2H3
InChIKey PNOFJCHDWFDYLN-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES N(C1=CC(=O)CC(C1)(C)C)C1=CC(=O)C=CC1=O
SPLASH splash10-06r2-0950000000-af88b6672cf4999095ce
Source of Spectrum K-122-211-6
Synonyms 2-(5,5-Dimethyl-3-oxo-1-cyclohexen010ylamino)-1,4-benzochinon 2-[(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino]benzo-1,4-quinone
Wiley ID 1248025