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4-(1-(1,3-Dithiolan-2-ylidene)ethyl)-5-methylhexan-2-one
SpectraBase Compound ID Jkh058WKtyu
InChI InChI=1S/C12H20OS2/c1-8(2)11(7-9(3)13)10(4)12-14-5-6-15-12/h8,11H,5-7H2,1-4H3
InChIKey LBBLNZCUATYWIS-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 HITipXdSNKv
Name 4-(1-(1,3-Dithiolan-2-ylidene)ethyl)-5-methylhexan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20OS2
InChI InChI=1S/C12H20OS2/c1-8(2)11(7-9(3)13)10(4)12-14-5-6-15-12/h8,11H,5-7H2,1-4H3
InChIKey LBBLNZCUATYWIS-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 CC(=C1SCCS1)C(CC(C)=O)C(C)C
SPLASH splash10-0udi-0290000000-87347a0819a7d306481a
Source of Spectrum BJO-14-SM15-4j
Thin-Layer Chromatography Rf = 0.64 (cyclohexane/ethyl acetate, 2:1)
Wiley ID 1845794