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3-(1-(1,3-Dithiolan-2-ylidene)propyl)cyclohexan-1-one
SpectraBase Compound ID HvfDYVbHvAr
InChI InChI=1S/C12H18OS2/c1-2-11(12-14-6-7-15-12)9-4-3-5-10(13)8-9/h9H,2-8H2,1H3
InChIKey LDEHBRRLPOXYNP-UHFFFAOYSA-N
Mol Weight 242.39 g/mol
Molecular Formula C12H18OS2
Exact Mass 242.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfYT28fgbZ0
Name 3-(1-(1,3-Dithiolan-2-ylidene)propyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18OS2
InChI InChI=1S/C12H18OS2/c1-2-11(12-14-6-7-15-12)9-4-3-5-10(13)8-9/h9H,2-8H2,1H3
InChIKey LDEHBRRLPOXYNP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.37
Molecular Weight 242.395 g/mol
Reported Formula C12H18OS2
SMILES C1(=O)CCCC(C(=C2SCCS2)CC)C1
SPLASH splash10-000x-0690000000-d8dd833fe5d2a3019ac7
Source of Spectrum BJO-14-SM25-9f
Thin-Layer Chromatography Rf = 0.38 (cyclohexane/ethyl acetate, 20:1
Wiley ID 1845819