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3,3'-Bis((4-chlorophenyl)thio)-1,1'-bi(bicyclo[1.1.1]pentane)
SpectraBase Compound ID 3pObteaLBYe
InChI InChI=1S/C22H20Cl2S2/c23-11-1-5-13(6-2-11)25-21-15-9-16(21)19(15)20-17-10-18(20)22(17)26-14-7-3-12(24)4-8-14/h1-8,15-22H,9-10H2
InChIKey HLKNQRVPIYRWFI-UHFFFAOYSA-N
Mol Weight 419.43 g/mol
Molecular Formula C22H20Cl2S2
Exact Mass 418.038348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0RB0gpqS7E
Name 3,3'-Bis((4-chlorophenyl)thio)-1,1'-bi(bicyclo[1.1.1]pentane)
Appearance White solid
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Formula C22H20Cl2S2
InChI InChI=1S/C22H20Cl2S2/c23-11-1-5-13(6-2-11)25-21-15-9-16(21)19(15)20-17-10-18(20)22(17)26-14-7-3-12(24)4-8-14/h1-8,15-22H,9-10H2
InChIKey HLKNQRVPIYRWFI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.114
Molecular Weight 419.428 g/mol
Reported Formula C22H20(35)Cl2(32)S2
SMILES c1c(ccc(c1)SC1C2CC1C2C1C2CC1C2Sc1ccc(cc1)Cl)Cl
SPLASH splash10-001l-5910000000-3da1dfa31bb49749e08f
Source of Spectrum BJO-15-SM15-11b
Thin-Layer Chromatography Rf = 0.30 (pentane)
Wiley ID 1848357