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2-[bis(methylsulfanyl)methyl]cyclohexan-1-one
SpectraBase Compound ID AuMsGS03gvH
InChI InChI=1S/C9H16OS2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h7,9H,3-6H2,1-2H3
InChIKey BLUFNXRGVJCLJF-UHFFFAOYSA-N
Mol Weight 204.35 g/mol
Molecular Formula C9H16OS2
Exact Mass 204.064257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRms1veOUyC
Name 2-[bis(methylsulfanyl)methyl]cyclohexan-1-one
CAS Registry Number 98098-19-2
Comments Less than 3 mono-isotopic peaks
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Formula C9H16OS2
InChI InChI=1S/C9H16OS2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h7,9H,3-6H2,1-2H3
InChIKey BLUFNXRGVJCLJF-UHFFFAOYSA-N
Molecular Weight 204.346 g/mol
SMILES C1(C(=O)CCCC1)C(SC)SC
SPLASH splash10-0a4i-0940000000-99b9e22c2dbb38daec31
Source of Spectrum F-46-2202-5
Synonyms 2-[Bis(methylsulfanyl)methyl]cyclohexanone 2-[bis(methylthio)methyl]-1-cyclohexanone 2-[Bis(methylthio)methyl]cyclohexanone
Wiley ID 1201379