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5-Hexen-2-one, 3,5-dimethyl-3-(phenylthio)-
SpectraBase Compound ID 9hhwAwmUGjC
InChI InChI=1S/C14H18OS/c1-11(2)10-14(4,12(3)15)16-13-8-6-5-7-9-13/h5-9H,1,10H2,2-4H3
InChIKey SKGAJNHUNMMYSW-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsSod0UnX28
Name 5-Hexen-2-one, 3,5-dimethyl-3-(phenylthio)-
CAS Registry Number 108362-33-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-11(2)10-14(4,12(3)15)16-13-8-6-5-7-9-13/h5-9H,1,10H2,2-4H3
InChIKey SKGAJNHUNMMYSW-UHFFFAOYSA-N
Molecular Weight 234.357 g/mol
SMILES C(Sc1ccccc1)(C(=O)C)(CC(=C)C)C
SPLASH splash10-0006-3900000000-2816ba7927d0ecfe218f
Source of Spectrum KC-1986-1700-31
Synonyms 3,5-Dimethyl-3-(phenylsulfanyl)-5-hexen-2-one 3,5-Dimethyl-3-phenylthiohex-5-en-2-one
Wiley ID 1236057