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1,4-cyclohexanedione, 2MEOX
SpectraBase Compound ID HQcAyWIJYL8
InChI InChI=1S/C8H14N2O2/c1-11-9-7-3-5-8(6-4-7)10-12-2/h3-6H2,1-2H3/b9-7-,10-8+
InChIKey HRVZPVNCDUEZCP-FKJILZIQSA-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 Jlt7RzKWAYd
Name 1,4-cyclohexanedione, 2MEOX
Alternate Name(s) 1,4-Cyclohexanedione, 2MEOX TETRAHYDROQUINONE, 2MEOX Cyclohexane-1,4-dione, 2MEOX 1,4-Dioxocyclohexane, 2MEOX 1, 4-Dioxocyclohexane, 2MEOX 125423_ALDRICH, 2MEOX cyclohexane-1,4-dione, 2MEOX (1E,4E)-cyclohexane-1,4-dione O,O-dimethyl dioxime
Comments Derivatization type: 2 MEOX (mass: 170.106); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000127; 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/c1-11-9-7-3-5-8(6-4-7)10-12-2/h3-6H2,1-2H3/b9-7-,10-8+
InChIKey HRVZPVNCDUEZCP-FKJILZIQSA-N
Molecular Weight 170.212 g/mol
SMILES C1C\C(CC\C1=N\OC)=N/OC
SPLASH splash10-0abi-4900000000-1d60e52ecb7311ae6e54
Source of Spectrum FM-2019-127-0
Wiley ID 1817820