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(E)-1-methyl-1-(phenylsulfonyl)-5-hepten-2-one
SpectraBase Compound ID 7GrgrTrcE83
InChI InChI=1S/C14H18O3S/c1-3-4-6-11-14(15)12(2)18(16,17)13-9-7-5-8-10-13/h3-5,7-10,12H,6,11H2,1-2H3/b4-3+
InChIKey KNZPSTBRLNWPHL-ONEGZZNKSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGsqXngYcu1
Name (E)-1-methyl-1-(phenylsulfonyl)-5-hepten-2-one
Alternate Name(s) (6E)-2-(phenylsulfonyl)-6-octen-3-one
CAS Registry Number 123209-30-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-3-4-6-11-14(15)12(2)18(16,17)13-9-7-5-8-10-13/h3-5,7-10,12H,6,11H2,1-2H3/b4-3+
InChIKey KNZPSTBRLNWPHL-ONEGZZNKSA-N
Molecular Weight 266.355 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(=O)CC\C=C\C)C
SPLASH splash10-05vo-9200000000-8b37677e40bb00bae59f
Source of Spectrum C-111-8889-3
Wiley ID 1269811