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2-[(2H3)Methyl]-3-methyl-1,4-benzoquinone
SpectraBase Compound ID 3jt6qxG4bhx
InChI InChI=1S/C8H8O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3/i1D3
InChIKey AIACLXROWHONEE-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 I1kYv7KrKzF
Name 2-[(2H3)Methyl]-3-methyl-1,4-benzoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C8H5D3O2
InChI InChI=1S/C8H8O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3/i1D3
InChIKey AIACLXROWHONEE-FIBGUPNXSA-N
Molecular Weight 139.168 g/mol
SMILES C1(=C(C(=O)C=CC1=O)C([D])([D])[D])C
SPLASH splash10-03dr-0900000000-82fb0c6294676933fe02
Source of Spectrum K1-0-5592-17
Synonyms 2-methyl-3-(trideuteriomethyl)-1,4-benzoquinone 2-methyl-3-(trideuteriomethyl)cyclohexa-2,5-diene-1,4-dione
Wiley ID 1589828