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4-[4-[4-(3-Ketobutylsulfonyl)benzyl]phenyl]sulfonylbutan-2-one
SpectraBase Compound ID Djkx8oRXVfd
InChI InChI=1S/C21H24O6S2/c1-16(22)11-13-28(24,25)20-7-3-18(4-8-20)15-19-5-9-21(10-6-19)29(26,27)14-12-17(2)23/h3-10H,11-15H2,1-2H3
InChIKey PRHVLIQUGJDCPL-UHFFFAOYSA-N
Mol Weight 436.54 g/mol
Molecular Formula C21H24O6S2
Exact Mass 436.101431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPBv84xrmUf
Name 4-[4-[4-(3-ketobutylsulfonyl)benzyl]phenyl]sulfonylbutan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O6S2
InChI InChI=1S/C21H24O6S2/c1-16(22)11-13-28(24,25)20-7-3-18(4-8-20)15-19-5-9-21(10-6-19)29(26,27)14-12-17(2)23/h3-10H,11-15H2,1-2H3
InChIKey PRHVLIQUGJDCPL-UHFFFAOYSA-N
Molecular Weight 436.537 g/mol
SMILES CC(CCS(c1ccc(cc1)Cc1ccc(S(CCC(=O)C)(=O)=O)cc1)(=O)=O)=O
SPLASH splash10-0006-9110000000-05271cbe45c60281a9a0
Synonyms 4-[4-[[4-(3-oxidanylidenebutylsulfonyl)phenyl]methyl]phenyl]sulfonylbutan-2-one 4-[4-[[4-(3-oxobutylsulfonyl)phenyl]methyl]phenyl]sulfonyl-2-butanone 4-[4-[[4-(3-oxobutylsulfonyl)phenyl]methyl]phenyl]sulfonylbutan-2-one
Wiley ID 1458840