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3,3"-Bis(butylthio)[3]staffane
SpectraBase Compound ID EGwtGJVUPPe
InChI InChI=1S/C23H36S2/c1-3-5-7-24-22-12-20(13-22,14-22)18-9-19(10-18,11-18)21-15-23(16-21,17-21)25-8-6-4-2/h3-17H2,1-2H3
InChIKey JEXUPHIANGSXDF-UHFFFAOYSA-N
Mol Weight 376.7 g/mol
Molecular Formula C23H36S2
Exact Mass 376.225844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96XPPoIr4Hj
Name 3,3"-Bis(butylthio)[3]staffane
Alternate Name(s) 1,3-bis[3-(butylsulfanyl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentane
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Formula C23H36S2
InChI InChI=1S/C23H36S2/c1-3-5-7-24-22-12-20(13-22,14-22)18-9-19(10-18,11-18)21-15-23(16-21,17-21)25-8-6-4-2/h3-17H2,1-2H3
InChIKey JEXUPHIANGSXDF-UHFFFAOYSA-N
Molecular Weight 376.661 g/mol
SMILES C12(C34CC(C4)(SCCCC)C3)CC(C1)(C13CC(C3)(SCCCC)C1)C2
SPLASH splash10-054o-9100000000-bcc8f954e1558aae3d49
Source of Spectrum C-114-618-3
Wiley ID 1357979