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Cycloheptanone, 2-[bis(methylthio)methyl]-
SpectraBase Compound ID BSu6NgVMjYb
InChI InChI=1S/C10H18OS2/c1-12-10(13-2)8-6-4-3-5-7-9(8)11/h8,10H,3-7H2,1-2H3
InChIKey GBOKHHVVOPZVJT-UHFFFAOYSA-N
Mol Weight 218.37 g/mol
Molecular Formula C10H18OS2
Exact Mass 218.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TwKHlLAJIn
Name Cycloheptanone, 2-[bis(methylthio)methyl]-
CAS Registry Number 128307-48-2
Comments Less than 3 mono-isotopic peaks
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Formula C10H18OS2
InChI InChI=1S/C10H18OS2/c1-12-10(13-2)8-6-4-3-5-7-9(8)11/h8,10H,3-7H2,1-2H3
InChIKey GBOKHHVVOPZVJT-UHFFFAOYSA-N
Molecular Weight 218.373 g/mol
SMILES C1(C(=O)CCCCC1)C(SC)SC
SPLASH splash10-00di-0920000000-e1ae14ffc90013a1c38f
Source of Spectrum F-46-2202-5
Synonyms 2-[Bis(methylsulfanyl)methyl]cycloheptanone 2-[bis(methylthio)methyl]cyclohept-1-one
Wiley ID 1217231