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4-Methyl-1-(phenylsulfonyl)-5-hexen-2-one
SpectraBase Compound ID 7K5w0ZUzsNS
InChI InChI=1S/C13H16O3S/c1-3-11(2)9-12(14)10-17(15,16)13-7-5-4-6-8-13/h3-8,11H,1,9-10H2,2H3
InChIKey AYAKYCZKTONIBL-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 LHm3gZBkbmX
Name 4-Methyl-1-(phenylsulfonyl)-5-hexen-2-one
CAS Registry Number 82352-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-3-11(2)9-12(14)10-17(15,16)13-7-5-4-6-8-13/h3-8,11H,1,9-10H2,2H3
InChIKey AYAKYCZKTONIBL-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C(=O)CC(C=C)C
SPLASH splash10-03fu-9400000000-49e33c2803690af98a5b
Source of Spectrum C-111-8888-3
Wiley ID 1255304