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6,6-Bis-benzenesulfonyl-4-methyl-hexan-3-one

View entire compound with spectra: 2 MS (GC)

6,6-Bis-benzenesulfonyl-4-methyl-hexan-3-one
SpectraBase Compound ID Bple00dV3gf
InChI InChI=1S/C19H22O5S2/c1-3-18(20)15(2)14-19(25(21,22)16-10-6-4-7-11-16)26(23,24)17-12-8-5-9-13-17/h4-13,15,19H,3,14H2,1-2H3
InChIKey FOPUOIGGRATJDZ-UHFFFAOYSA-N
Mol Weight 394.5 g/mol
Molecular Formula C19H22O5S2
Exact Mass 394.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WIKpRUOLoG
Name 6,6-BISBENZENESULFONYL-4-METHYLHEXAN-3-ONE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H22O5S2
InChI InChI=1S/C19H22O5S2/c1-3-18(20)15(2)14-19(25(21,22)16-10-6-4-7-11-16)26(23,24)17-12-8-5-9-13-17/h4-13,15,19H,3,14H2,1-2H3
InChIKey FOPUOIGGRATJDZ-UHFFFAOYSA-N
Molecular Weight 394.0903
SMILES C(=O)(C(CC(S(=O)(c1ccccc1)=O)S(c1ccccc1)(=O)=O)C)CC
SPLASH splash10-056r-9812000000-772eabc4d60427ae836d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany