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(E)-1-(phenylsulfonyl)-5-hepten-2-one
SpectraBase Compound ID 67nPk5pfr2M
InChI InChI=1S/C13H16O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h2-4,6-7,9-10H,5,8,11H2,1H3/b3-2+
InChIKey JWHOBUNUPVYHMR-NSCUHMNNSA-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 2QRvmpYx0eN
Name (E)-1-(phenylsulfonyl)-5-hepten-2-one
Alternate Name(s) (5E)-1-(phenylsulfonyl)-5-hepten-2-one
CAS Registry Number 82352-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h2-4,6-7,9-10H,5,8,11H2,1H3/b3-2+
InChIKey JWHOBUNUPVYHMR-NSCUHMNNSA-N
Molecular Weight 252.328 g/mol
SMILES C(S(=O)(=O)c1ccccc1)C(=O)CC\C=C\C
SPLASH splash10-03fu-9300000000-15d07dd84310bc73ab5e
Source of Spectrum C-111-8888-3
Wiley ID 1255302