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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 KPETo16uX4N
Name 2-(benzenesulfinyl)-1,4-benzoquinone
Alternate Name(s) 2-(benzenesulfinyl)-p-benzoquinone 2-(benzenesulfinyl)cyclohexa-2,5-diene-1,4-dione 2-(Phenylsulfinyl)cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 135615-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 splash10-0f89-0960000000-3d635799fa07b93a2b11
Source of Spectrum J-56-5811-2
Wiley ID 1233528