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2-Methyl-2-phenylsulfanylhex-5-en-3-one
SpectraBase Compound ID HI3qXhRroBh
InChI InChI=1S/C13H16OS/c1-4-8-12(14)13(2,3)15-11-9-6-5-7-10-11/h4-7,9-10H,1,8H2,2-3H3
InChIKey PGPFRFFGJFSIED-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0WtcSuRfGN
Name 2-Methyl-2-phenylsulfanylhex-5-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-4-8-12(14)13(2,3)15-11-9-6-5-7-10-11/h4-7,9-10H,1,8H2,2-3H3
InChIKey PGPFRFFGJFSIED-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES CC(C(CC=C)=O)(Sc1ccccc1)C
SPLASH splash10-0udi-3900000000-332de87371633e530dd6
Source of Spectrum K-2002-2640-17
Synonyms 2-Methyl-2-(phenylthio)-5-hexen-3-one 2-Methyl-2-(phenylthio)hex-5-en-3-one
Wiley ID 1613262