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p-benzoquinone, 2MEOX
SpectraBase Compound ID 5I7bZ12jKQ7
InChI InChI=1S/C8H10N2O2/c1-11-9-7-3-5-8(6-4-7)10-12-2/h3-6H,1-2H3/b9-7-,10-8+
InChIKey CIGIOGFDCAQEAM-FKJILZIQSA-N
Mol Weight 166.18 g/mol
Molecular Formula C8H10N2O2
Exact Mass 166.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmcVBBiSXxj
Name p-benzoquinone, 2MEOX
Comments Derivatization type: 2 MEOX (mass: 166.074); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000097; Note: The molecular formula of the structure shown is C6H4O2 - which differs from the formula reported for the mass spectrum (C8H10N2O2)
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Formula C8H10N2O2
InChI InChI=1S/C8H10N2O2/c1-11-9-7-3-5-8(6-4-7)10-12-2/h3-6H,1-2H3/b9-7-,10-8+
InChIKey CIGIOGFDCAQEAM-FKJILZIQSA-N
Molecular Weight 166.180 g/mol
SMILES C1=C\C(C=C\C1=N\OC)=N/OC
SPLASH splash10-00xr-1900000000-f0aa2bc3789f76dfaeb1
Source of Spectrum FM-2019-97-0
Synonyms Benzoquinone, 2MEOX Quinone, 2MEOX Chinone, 2MEOX p-Quinone, 2MEOX para-Quinone, 2MEOX cyclohexa-2,5-diene-1,4-dione, 2MEOX (1E,4E)-benzoquinone O,O-dimethyl dioxime
Wiley ID 1817791