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2-(Benzenesulfonyl)-5-methyl-1-hexen-3-one
SpectraBase Compound ID EoYdtrFRqxF
InChI InChI=1S/C13H16O3S/c1-10(2)9-13(14)11(3)17(15,16)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKey BJFVRJMYLRWMOK-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2bdN8pdlYh
Name 2-(Benzenesulfonyl)-5-methyl-1-hexen-3-one
Alternate Name(s) 2-(benzenesulfonyl)-5-methyl-hex-1-en-3-one 2-besyl-5-methyl-hex-1-en-3-one 5-Methyl-2-(phenylsulfonyl)hex-1-en-3-one
CAS Registry Number 133834-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-10(2)9-13(14)11(3)17(15,16)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKey BJFVRJMYLRWMOK-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(CC(C)C)=O)=C
SPLASH splash10-004i-7900000000-01b35f52607dde68fc8b
Source of Spectrum J-56-4105-4
Wiley ID 1255322