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3,4-trans-2,2-Dichloro-1,1-difluoro-3-methyl-4-(2-pyridylthio)cyclohexane
SpectraBase Compound ID 7jtFdTXzkcb
InChI InChI=1S/C12H13Cl2F2NS/c1-8-9(18-10-4-2-3-7-17-10)5-6-11(15,16)12(8,13)14/h2-4,7-9H,5-6H2,1H3/t8-,9+/m1/s1
InChIKey HSVXYMVBMDMIEY-BDAKNGLRSA-N
Mol Weight 312.21 g/mol
Molecular Formula C12H13Cl2F2NS
Exact Mass 311.011382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFp8uvY7Shf
Name 3,4-trans-2,2-Dichloro-1,1-difluoro-3-methyl-4-(2-pyridylthio)cyclohexane
Comments Less than 3 mono-isotopic peaks
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Formula C12H13Cl2F2NS
InChI InChI=1S/C12H13Cl2F2NS/c1-8-9(18-10-4-2-3-7-17-10)5-6-11(15,16)12(8,13)14/h2-4,7-9H,5-6H2,1H3/t8-,9+/m1/s1
InChIKey HSVXYMVBMDMIEY-BDAKNGLRSA-N
Molecular Weight 312.206 g/mol
SMILES C1([C@@]([C@@](Sc2ncccc2)(CCC1(F)F)[H])(C)[H])(Cl)Cl
SPLASH splash10-03di-0905000000-8faea2a9f378a8a8373c
Source of Spectrum J-62-7198-7
Synonyms (1S,2R)-3,3-dichloro-4,4-difluoro-2-methylcyclohexyl 2-pyridinyl sulfide 2-{[(1S,2R)-3,3-dichloro-4,4-difluoro-2-methylcyclohexyl]sulfanyl}pyridine
Wiley ID 1312213