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2-Cyclohexylidene-4,5-dicarbomethoxy-1,3-dithiole
SpectraBase Compound ID IL9hbXt3B56
InChI InChI=1S/C13H16O4S2/c1-16-11(14)9-10(12(15)17-2)19-13(18-9)8-6-4-3-5-7-8/h3-7H2,1-2H3
InChIKey COAQJSIOHWUMKW-UHFFFAOYSA-N
Mol Weight 300.39 g/mol
Molecular Formula C13H16O4S2
Exact Mass 300.049001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTtAZ4Aqpxo
Name 2-Cyclohexylidene-4,5-dicarbomethoxy-1,3-dithiole
CAS Registry Number 68629-98-1
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O4S2
InChI InChI=1S/C13H16O4S2/c1-16-11(14)9-10(12(15)17-2)19-13(18-9)8-6-4-3-5-7-8/h3-7H2,1-2H3
InChIKey COAQJSIOHWUMKW-UHFFFAOYSA-N
Molecular Weight 300.387 g/mol
SMILES C1(=C(SC(S1)=C1CCCCC1)C(=O)OC)C(=O)OC
SPLASH splash10-0udi-0039000000-5296e7b37b04e19fa384
Source of Spectrum J-44-933-0
Synonyms dimethyl 2-cyclohexylidene-1,3-dithiole-4,5-dicarboxylate
Wiley ID 1302451