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1,3-Bis((3,5-dichlorophenyl)thio)bicyclo[1.1.1]pentane
SpectraBase Compound ID 9FkWjCcR5rZ
InChI InChI=1S/C17H12Cl4S2/c18-10-1-11(19)4-14(3-10)22-16-7-17(8-16,9-16)23-15-5-12(20)2-13(21)6-15/h1-6H,7-9H2
InChIKey DHAJMGHBXKCZPF-UHFFFAOYSA-N
Mol Weight 422.2 g/mol
Molecular Formula C17H12Cl4S2
Exact Mass 419.913454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N6d1FFqBJD
Name 1,3-Bis((3,5-dichlorophenyl)thio)bicyclo[1.1.1]pentane
Appearance White solid
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Formula C17H12Cl4S2
InChI InChI=1S/C17H12Cl4S2/c18-10-1-11(19)4-14(3-10)22-16-7-17(8-16,9-16)23-15-5-12(20)2-13(21)6-15/h1-6H,7-9H2
InChIKey DHAJMGHBXKCZPF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.114
Molecular Weight 422.215 g/mol
Reported Formula C17H12(35)Cl(32)S2
SMILES c1(cc(cc(c1)Cl)Cl)SC12CC(C2)(C1)Sc1cc(cc(c1)Cl)Cl
SPLASH splash10-0007-0090000000-006bfea0fd6a6094a51f
Source of Spectrum BJO-15-SM8-6c
Thin-Layer Chromatography Rf = 0.72 (pentane)
Wiley ID 1848364