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2,6-bis(benzenesulfonyl)-3,5-dimethyl-1,4-benzoquinone
SpectraBase Compound ID FEukvWTnSdb
InChI InChI=1S/C20H16O6S2/c1-13-17(21)14(2)20(28(25,26)16-11-7-4-8-12-16)18(22)19(13)27(23,24)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey VXIURLOITPTGDS-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C20H16O6S2
Exact Mass 416.038831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrDBBJ4eDYi
Name 2,6-bis(benzenesulfonyl)-3,5-dimethyl-1,4-benzoquinone
Alternate Name(s) 2,6-bis(benzenesulfonyl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione 2,6-dibesyl-3,5-dimethyl-p-benzoquinone 2,6-dimethyl-3,5-bis(phenylsulfonyl)cyclohexa-2,5-diene-1,4-dione
Comments Less than 3 mono-isotopic peaks
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Formula C20H16O6S2
InChI InChI=1S/C20H16O6S2/c1-13-17(21)14(2)20(28(25,26)16-11-7-4-8-12-16)18(22)19(13)27(23,24)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey VXIURLOITPTGDS-UHFFFAOYSA-N
Molecular Weight 416.462 g/mol
SMILES C1(C(=C(C(C(=C1C)S(=O)(=O)c1ccccc1)=O)S(=O)(=O)c1ccccc1)C)=O
SPLASH splash10-00or-9000500000-5d0b0a1cf23266e4f4fa
Source of Spectrum KC-1992-2883-0
Wiley ID 777078