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2-Methyl-5-(trideuteriomethyl)-p-benzoquinone
SpectraBase Compound ID DvdEJXMItAF
InChI InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3/i1D3
InChIKey MYKLQMNSFPAPLZ-FIBGUPNXSA-N
Mol Weight 139.17 g/mol
Molecular Formula C8H5D3O2
Exact Mass 139.07126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6VFoKFPlefd
Name 2-Methyl-5-(trideuteriomethyl)-p-benzoquinone
Alternate Name(s) 2-Methyl-5-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5D3O2
InChI InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3/i1D3
InChIKey MYKLQMNSFPAPLZ-FIBGUPNXSA-N
Molecular Weight 139.168 g/mol
SMILES C1(C(=CC(C(=C1)C([D])([D])[D])=O)C)=O
SPLASH splash10-02g9-6900000000-5bd8372b30f0469f8928
Source of Spectrum U1-1998-345-1
Wiley ID 750669