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1,3-Bis(p-tolylthio)bicyclo[1.1.1]pentane
SpectraBase Compound ID JOQ1Zq8A2BZ
InChI InChI=1S/C19H20S2/c1-14-3-7-16(8-4-14)20-18-11-19(12-18,13-18)21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
InChIKey NZNGNSDNZKZZOJ-UHFFFAOYSA-N
Mol Weight 312.49 g/mol
Molecular Formula C19H20S2
Exact Mass 312.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QyU9EzdSxX
Name 1,3-Bis(p-tolylthio)bicyclo[1.1.1]pentane
Appearance White solid
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Formula C19H20S2
InChI InChI=1S/C19H20S2/c1-14-3-7-16(8-4-14)20-18-11-19(12-18,13-18)21-17-9-5-15(2)6-10-17/h3-10H,11-13H2,1-2H3
InChIKey NZNGNSDNZKZZOJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.114
Molecular Weight 312.489 g/mol
Reported Formula C19H20(32)S2
SMILES c1(ccc(cc1)C)SC12CC(C2)(C1)Sc1ccc(cc1)C
SPLASH splash10-000i-1900000000-42210bc99f453e88a3d2
Source of Spectrum BJO-15-SM9-6d
Thin-Layer Chromatography Rf = 0.51 (pentane/diethyl ether, 50:1)
Wiley ID 1848365