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1,3-Bis(phenylthio)bicyclo[1.1.1]pentane (6a), 3,3'-Bis(phenylthio)-1,1'-bi(bicyclo[1.1.1]pentane)
SpectraBase Compound ID ITh5Jd9zgce
InChI InChI=1S/C22H22S2/c1-3-7-13(8-4-1)23-21-15-11-16(21)19(15)20-17-12-18(20)22(17)24-14-9-5-2-6-10-14/h1-10,15-22H,11-12H2
InChIKey YTVJACUPOCDNBQ-UHFFFAOYSA-N
Mol Weight 350.54 g/mol
Molecular Formula C22H22S2
Exact Mass 350.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13VpMT3ebW
Name 1,3-Bis(phenylthio)bicyclo[1.1.1]pentane (6a), 3,3'-Bis(phenylthio)-1,1'-bi(bicyclo[1.1.1]pentane)
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22S2
InChI InChI=1S/C22H22S2/c1-3-7-13(8-4-1)23-21-15-11-16(21)19(15)20-17-12-18(20)22(17)24-14-9-5-2-6-10-14/h1-10,15-22H,11-12H2
InChIKey YTVJACUPOCDNBQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.114
Molecular Weight 350.538 g/mol
Reported Formula C22H22(32)S2
SMILES c1cccc(c1)SC1C2CC1C2C1C2CC1C2Sc1ccccc1
SPLASH splash10-001l-4920000000-026a6f9522429d6267a1
Source of Spectrum BJO-15-SM14-11a
Thin-Layer Chromatography Rf = 0.10 (pentane)
Wiley ID 1848356