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5,6-dihydro-3-(methylthio)-4H-cylopent[c]isothiazole
SpectraBase Compound ID 81OyGvgNjhW
InChI InChI=1S/C7H9NS2/c1-9-7-5-3-2-4-6(5)8-10-7/h2-4H2,1H3
InChIKey UXWBLJYQHSHNBM-UHFFFAOYSA-N
Mol Weight 171.28 g/mol
Molecular Formula C7H9NS2
Exact Mass 171.017642 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIg1EGRX7Fe
Name 5,6-dihydro-3-(methylthio)-4H-cylopent[c]isothiazole
Alternate Name(s) 3-(methylsulfanyl)-5,6-dihydro-4H-cyclopenta[c]isothiazole 5,6-dihydro-4H-cyclopenta[c]isothiazol-3-yl methyl sulfide
CAS Registry Number 118631-15-5
Comments Less than 3 mono-isotopic peaks
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Formula C7H9NS2
InChI InChI=1S/C7H9NS2/c1-9-7-5-3-2-4-6(5)8-10-7/h2-4H2,1H3
InChIKey UXWBLJYQHSHNBM-UHFFFAOYSA-N
Molecular Weight 171.276 g/mol
SMILES c12c(snc2CCC1)SC
SPLASH splash10-00di-0900000000-e6e41f382a8b53cc1c0f
Source of Spectrum J-54-1092-13
Wiley ID 1167813