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1,2-cyclohexandione, 2MEOX
SpectraBase Compound ID Kr2N7TBhD3E
InChI InChI=1S/C8H14N2O2/c1-11-9-7-5-3-4-6-8(7)10-12-2/h3-6H2,1-2H3/b9-7+,10-8+
InChIKey DNUZWMVEEURTIC-FIFLTTCUSA-N
Mol Weight 170.21 g/mol
Molecular Formula C8H14N2O2
Exact Mass 170.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKGAaW5BkgT
Name 1,2-cyclohexandione, 2MEOX
Comments Derivatization type: 2 MEOX (mass: 170.106); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000778; Note: The molecular formula of the structure shown is C6H8O2 - which differs from the formula reported for the mass spectrum (C8H14N2O2)
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Formula C8H14N2O2
InChI InChI=1S/C8H14N2O2/c1-11-9-7-5-3-4-6-8(7)10-12-2/h3-6H2,1-2H3/b9-7+,10-8+
InChIKey DNUZWMVEEURTIC-FIFLTTCUSA-N
Molecular Weight 170.212 g/mol
SMILES C1CC\C(\C(C1)=N\OC)=N/OC
SPLASH splash10-0a4i-1900000000-dda6a5c9d83a2c709025
Source of Spectrum FM-2019-778-0
Synonyms 1,2-Dioxocyclohexane, 2MEOX 1,2-CYCLOHEXANEDIONE, 2MEOX 1,2-Cyclohexadione, 2MEOX Cyclohexane-1,2-dione, 2MEOX Cyclohexan-1,2-dione, 2MEOX C101400_ALDRICH, 2MEOX cyclohexane-1,2-dione, 2MEOX (1E,2E)-cyclohexane-1,2-dione O,O-dimethyl dioxime
Wiley ID 1818452