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1-(Phenylthio)-3-((4-methoxyphenyl)thio)bicyclo[1.1.1]pentane
SpectraBase Compound ID 7b1v91M6Zb7
InChI InChI=1S/C18H18OS2/c1-19-14-7-9-16(10-8-14)21-18-11-17(12-18,13-18)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKey MMODRWTWUUODQN-UHFFFAOYSA-N
Mol Weight 314.46 g/mol
Molecular Formula C18H18OS2
Exact Mass 314.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rea9MwjOC
Name 1-(Phenylthio)-3-((4-methoxyphenyl)thio)bicyclo[1.1.1]pentane
Appearance White solid
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Formula C18H18OS2
InChI InChI=1S/C18H18OS2/c1-19-14-7-9-16(10-8-14)21-18-11-17(12-18,13-18)20-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKey MMODRWTWUUODQN-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.114
Molecular Weight 314.461 g/mol
Reported Formula C18H18O(32)S2
SMILES c1(ccccc1)SC12CC(C2)(C1)Sc1ccc(cc1)OC
SPLASH splash10-0a70-0951000000-f0f26cc88aa9d994bae2
Source of Spectrum BJO-15-SM22-16
Thin-Layer Chromatography Rf = 0.33 (pentane/diethyl ether, 100:1)
Wiley ID 1848361