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6-(1,3-Dithiolan-2-ylidene)-5-methyl-6-phenylhexan-3-one
SpectraBase Compound ID DUNpELukb69
InChI InChI=1S/C16H20OS2/c1-3-14(17)11-12(2)15(16-18-9-10-19-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKey GQDXLOBJYIWLJL-UHFFFAOYSA-N
Mol Weight 292.46 g/mol
Molecular Formula C16H20OS2
Exact Mass 292.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OhZXAWWDW7
Name 6-(1,3-Dithiolan-2-ylidene)-5-methyl-6-phenylhexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS2
InChI InChI=1S/C16H20OS2/c1-3-14(17)11-12(2)15(16-18-9-10-19-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKey GQDXLOBJYIWLJL-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 292.455 g/mol
Reported Formula C16H20OS2
SMILES c1cc(ccc1)C(=C1SCCS1)C(CC(CC)=O)C
SPLASH splash10-001i-9000000000-22a9b6645928171d135a
Source of Spectrum BJO-14-SM9-4d
Thin-Layer Chromatography Rf = 0.53 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1845788