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1-Methyl-1-(phenylsulfonyl)-5-hexen-2-one
SpectraBase Compound ID 5ZtOWpMQ8tX
InChI InChI=1S/C13H16O3S/c1-3-4-10-13(14)11(2)17(15,16)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3
InChIKey ADTAHPHAEWPMIE-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 F2SBWryhrIa
Name 1-Methyl-1-(phenylsulfonyl)-5-hexen-2-one
CAS Registry Number 80945-33-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-3-4-10-13(14)11(2)17(15,16)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3
InChIKey ADTAHPHAEWPMIE-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(=O)CCC=C)C
SPLASH splash10-052f-9000000000-54f6b7d6f221e89fbe2a
Source of Spectrum C-111-8888-3
Synonyms 2-(Phenylsulfonyl)-6-hepten-3-one 2-(benzenesulfonyl)-6-hepten-3-one 2-(benzenesulfonyl)hept-6-en-3-one 2-(Phenylsulfonyl)hept-6-en-3-one
Wiley ID 1255301