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6-(1,3-Dithiolan-2-ylidene)-5-methyloctan-3-one
SpectraBase Compound ID HFRRHoJTInH
InChI InChI=1S/C12H20OS2/c1-4-10(13)8-9(3)11(5-2)12-14-6-7-15-12/h9H,4-8H2,1-3H3
InChIKey HNEMFLNWZMGKBV-UHFFFAOYSA-N
Mol Weight 244.41 g/mol
Molecular Formula C12H20OS2
Exact Mass 244.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkKgPPulOTm
Name 6-(1,3-Dithiolan-2-ylidene)-5-methyloctan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20OS2
InChI InChI=1S/C12H20OS2/c1-4-10(13)8-9(3)11(5-2)12-14-6-7-15-12/h9H,4-8H2,1-3H3
InChIKey HNEMFLNWZMGKBV-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 244.411 g/mol
Reported Formula C12H20OS2
SMILES C(C(=C1SCCS1)C(CC(CC)=O)C)C
SPLASH splash10-00di-0920000000-e712dc55678b4e65c09e
Source of Spectrum BJO-14-SM18-4n
Thin-Layer Chromatography Rf = 0.61 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1845798