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1-(p-Tolylsulfanyl)hex-5-en-2-one
SpectraBase Compound ID IwDm9g3YjTd
InChI InChI=1S/C13H16OS/c1-3-4-5-12(14)10-15-13-8-6-11(2)7-9-13/h3,6-9H,1,4-5,10H2,2H3
InChIKey MZPRAKNGTQSEBB-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 HUBLgchXUJ5
Name 1-(p-Tolylsulfanyl)hex-5-en-2-one
Alternate Name(s) 1-(4-Methylphenyl)sulfanylhex-5-en-2-one 1-(p-tolylthio)hex-5-en-2-one 1-[(4-methylphenyl)thio]-5-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-3-4-5-12(14)10-15-13-8-6-11(2)7-9-13/h3,6-9H,1,4-5,10H2,2H3
InChIKey MZPRAKNGTQSEBB-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C(C(CCC=C)=O)Sc1ccc(cc1)C
SPLASH splash10-0a4i-9220000000-baae29f6e442a99c71ef
Source of Spectrum KC-0-2396-22
Wiley ID 781922