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3,3'''-Bis(acetylthio)[5]staffane

View entire compound with spectra: 1 MS (GC)

3,3'''-Bis(acetylthio)[5]staffane
SpectraBase Compound ID Y7l2bm6q6i
InChI InChI=1S/C29H36O2S2/c1-18(30)32-28-12-26(13-28,14-28)24-6-22(7-24,8-24)20-3-21(4-20,5-20)23-9-25(10-23,11-23)27-15-29(16-27,17-27)33-19(2)31/h3-17H2,1-2H3
InChIKey DQICNKGYWNINCG-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C29H36O2S2
Exact Mass 480.215673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32Bn8v4ni2f
Name 3,3'''-Bis(acetylthio)[5]staffane
Alternate Name(s) 1-({3-[3-(3-{3-[3-(acetylsulfanyl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentan-1-yl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentan-1-yl}sulfanyl)ethan-1-one 3,3'''-bis(acetylthio)[5]staffane
Comments Less than 3 mono-isotopic peaks
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Formula C29H36O2S2
InChI InChI=1S/C29H36O2S2/c1-18(30)32-28-12-26(13-28,14-28)24-6-22(7-24,8-24)20-3-21(4-20,5-20)23-9-25(10-23,11-23)27-15-29(16-27,17-27)33-19(2)31/h3-17H2,1-2H3
InChIKey DQICNKGYWNINCG-UHFFFAOYSA-N
Molecular Weight 480.725 g/mol
SMILES C12(C34CC(C4)(C45CC(C4)(C46CC(C4)(SC(=O)C)C6)C5)C3)CC(C1)(C13CC(C3)(SC(=O)C)C1)C2
SPLASH splash10-0006-9000000000-a2db96a7d4a87ce619d9
Source of Spectrum C-114-618-5
Wiley ID 1395264