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1,3-Bis((4-chlorophenyl)thio)bicyclo[1.1.1]pentane
SpectraBase Compound ID 9O9a4WkXSBK
InChI InChI=1S/C17H14Cl2S2/c18-12-1-5-14(6-2-12)20-16-9-17(10-16,11-16)21-15-7-3-13(19)4-8-15/h1-8H,9-11H2
InChIKey SJOKHIZPCGZHAT-UHFFFAOYSA-N
Mol Weight 353.33 g/mol
Molecular Formula C17H14Cl2S2
Exact Mass 351.991398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMbXWw6Icct
Name 1,3-Bis((4-chlorophenyl)thio)bicyclo[1.1.1]pentane
Appearance White solid
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Formula C17H14Cl2S2
InChI InChI=1S/C17H14Cl2S2/c18-12-1-5-14(6-2-12)20-16-9-17(10-16,11-16)21-15-7-3-13(19)4-8-15/h1-8H,9-11H2
InChIKey SJOKHIZPCGZHAT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.114
Molecular Weight 353.325 g/mol
Reported Formula C17H14(35)Cl(32)S2
SMILES c1(ccc(cc1)Cl)SC12CC(C2)(C1)Sc1ccc(cc1)Cl
SPLASH splash10-0a4i-0290000000-1934e7efc2d4cf16b961
Source of Spectrum BJO-15-SM7-6b
Thin-Layer Chromatography Rf = 0.38 (pentane)
Wiley ID 1848363