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3,3"'-Bis(butylthio)[4]staffane
SpectraBase Compound ID HdMmiXWRPvL
InChI InChI=1S/C28H42S2/c1-3-5-7-29-27-15-25(16-27,17-27)23-9-21(10-23,11-23)22-12-24(13-22,14-22)26-18-28(19-26,20-26)30-8-6-4-2/h3-20H2,1-2H3
InChIKey BSEITWNLMUNIBB-UHFFFAOYSA-N
Mol Weight 442.8 g/mol
Molecular Formula C28H42S2
Exact Mass 442.272794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CthuERhTZw
Name 3,3"'-Bis(butylthio)[4]staffane
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Formula C28H42S2
InChI InChI=1S/C28H42S2/c1-3-5-7-29-27-15-25(16-27,17-27)23-9-21(10-23,11-23)22-12-24(13-22,14-22)26-18-28(19-26,20-26)30-8-6-4-2/h3-20H2,1-2H3
InChIKey BSEITWNLMUNIBB-UHFFFAOYSA-N
Molecular Weight 442.764 g/mol
SMILES C12(C34CC(C4)(C45CC(C5)(SCCCC)C4)C3)CC(C2)(C23CC(C3)(SCCCC)C2)C1
SPLASH splash10-002f-8900000000-576c4a32697617ec2da3
Source of Spectrum C-114-619-4
Synonyms 1-[3-(butylsulfanyl)bicyclo[1.1.1]pentan-1-yl]-3-{3-[3-(butylsulfanyl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentane
Wiley ID 1385487