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2,5-Dideuterio-3,6-dimethyl-1,4-benzoquinone
SpectraBase Compound ID L0ii8e2Tlpy
InChI InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3/i3D,4D
InChIKey MYKLQMNSFPAPLZ-NMQOAUCRSA-N
Mol Weight 138.16 g/mol
Molecular Formula C8H6D2O2
Exact Mass 138.064983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8saeOIdnke
Name 2,5-Dideuterio-3,6-dimethyl-1,4-benzoquinone
Alternate Name(s) 2,5-dideuterio-3,6-dimethyl-cyclohexa-2,5-diene-1,4-dione 2,5-dideuterio-3,6-dimethyl-p-benzoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C8H6D2O2
InChI InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3/i3D,4D
InChIKey MYKLQMNSFPAPLZ-NMQOAUCRSA-N
Molecular Weight 138.162 g/mol
SMILES C1(=C(C(=O)C(=C(C1=O)[D])C)[D])C
SPLASH splash10-000i-0900000000-d6fe0b99ed2df80e753c
Source of Spectrum U1-1998-345-1
Wiley ID 750670