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2-(2,2-dimethylpropanoyl)-3-(phenylsulfonyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 2gLpIFRGGkk
InChI InChI=1S/C17H16O5S/c1-17(2,3)16(20)14-12(18)9-10-13(19)15(14)23(21,22)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey OXOABZSZLXJFBJ-UHFFFAOYSA-N
Mol Weight 332.37 g/mol
Molecular Formula C17H16O5S
Exact Mass 332.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3vFR1F3u5s
Name 2-(2,2-dimethylpropanoyl)-3-(phenylsulfonyl)cyclohexa-2,5-diene-1,4-dione
Comments Less than 3 mono-isotopic peaks
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Formula C17H16O5S
InChI InChI=1S/C17H16O5S/c1-17(2,3)16(20)14-12(18)9-10-13(19)15(14)23(21,22)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey OXOABZSZLXJFBJ-UHFFFAOYSA-N
Molecular Weight 332.370 g/mol
SMILES C1(=C(C(C(C)(C)C)=O)C(=O)C=CC1=O)S(=O)(=O)c1ccccc1
SPLASH splash10-0006-9003000000-bb8180f7c47193157eae
Source of Spectrum KC-1992-2882-0
Synonyms 2-(benzenesulfonyl)-3-(2,2-dimethyl-1-oxopropyl)cyclohexa-2,5-diene-1,4-dione 2-(benzenesulfonyl)-3-(2,2-dimethylpropanoyl)-1,4-benzoquinone 2-(benzenesulfonyl)-3-(2,2-dimethylpropanoyl)cyclohexa-2,5-diene-1,4-dione 2-besyl-3-pivaloyl-p-benzoquinone
Wiley ID 777083