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2-(benzenesulfinyl)-1,4-benzoquinone
SpectraBase Compound ID DGTTR8akB3k
InChI InChI=1S/C12H8O3S/c13-9-6-7-11(14)12(8-9)16(15)10-4-2-1-3-5-10/h1-8H
InChIKey UHOAFLOWYOZROE-UHFFFAOYSA-N
Mol Weight 232.25 g/mol
Molecular Formula C12H8O3S
Exact Mass 232.019415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnCrvbC3nP
Name 2-(benzenesulfinyl)-1,4-benzoquinone
CAS Registry Number 115148-07-7
Comments Less than 3 mono-isotopic peaks
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Formula C12H8O3S
InChI InChI=1S/C12H8O3S/c13-9-6-7-11(14)12(8-9)16(15)10-4-2-1-3-5-10/h1-8H
InChIKey UHOAFLOWYOZROE-UHFFFAOYSA-N
Molecular Weight 232.253 g/mol
SMILES C1(S(=O)c2ccccc2)=CC(=O)C=CC1=O
SPLASH splash10-001i-0090000000-8378a75b2ff9de1fcc89
Source of Spectrum KC-1989-182-5
Synonyms 2-(benzenesulfinyl)-p-benzoquinone 2-(benzenesulfinyl)cyclohexa-2,5-diene-1,4-dione 2-(phenylsulfinyl)cyclohexa-2,5-diene-1,4-dione
Wiley ID 1233527