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2,6-bis(benzenesulfonyl)-3,5-dimethyl-benzene-1,4-diol
SpectraBase Compound ID IiL66XNO4R1
InChI InChI=1S/C20H18O6S2/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/h3-12,21-22H,1-2H3
InChIKey HJDRGFXLMHISOW-UHFFFAOYSA-N
Mol Weight 418.48 g/mol
Molecular Formula C20H18O6S2
Exact Mass 418.054481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TiKEFnoJZx
Name 2,6-bis(benzenesulfonyl)-3,5-dimethyl-benzene-1,4-diol
Comments Less than 3 mono-isotopic peaks
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Formula C20H18O6S2
InChI InChI=1S/C20H18O6S2/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/h3-12,21-22H,1-2H3
InChIKey HJDRGFXLMHISOW-UHFFFAOYSA-N
Molecular Weight 418.478 g/mol
SMILES Oc1c(c(c(c(c1S(=O)(=O)c1ccccc1)C)O)C)S(=O)(=O)c1ccccc1
SPLASH splash10-00or-0090500000-eec145d4f5f9584e4174
Source of Spectrum KC-1992-2881-0
Synonyms 2,6-dibesyl-3,5-dimethyl-hydroquinone 2,6-dimethyl-3,5-bis(phenylsulfonyl)benzene-1,4-diol
Wiley ID 777093