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2,3-dimethyl-5-(phenylsulfonyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID YfnWzgocUu
InChI InChI=1S/C14H12O4S/c1-9-10(2)14(16)13(8-12(9)15)19(17,18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey GRUDZULCJRKSIM-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C14H12O4S
Exact Mass 276.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElKt7zykE4U
Name 2,3-dimethyl-5-(phenylsulfonyl)cyclohexa-2,5-diene-1,4-dione
Alternate Name(s) 5-(benzenesulfonyl)-2,3-dimethyl-1,4-benzoquinone 5-(benzenesulfonyl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione 5-besyl-2,3-dimethyl-p-benzoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C14H12O4S
InChI InChI=1S/C14H12O4S/c1-9-10(2)14(16)13(8-12(9)15)19(17,18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey GRUDZULCJRKSIM-UHFFFAOYSA-N
Molecular Weight 276.306 g/mol
SMILES C1(C(=C(C(C(=C1)S(=O)(=O)c1ccccc1)=O)C)C)=O
SPLASH splash10-03di-0090000000-cbc1f4cdbd3d52177183
Source of Spectrum KC-1992-2882-0
Wiley ID 777088