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3,3'-bis(methylthio)-1,1'-bibcyclo[1.1.1]-pentane
SpectraBase Compound ID 9FgAO5CxNw4
InChI InChI=1S/C12H18S2/c1-13-11-3-9(4-11,5-11)10-6-12(7-10,8-10)14-2/h3-8H2,1-2H3
InChIKey YABHNJCBIKDIKX-UHFFFAOYSA-N
Mol Weight 226.4 g/mol
Molecular Formula C12H18S2
Exact Mass 226.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9i9NgGjPfu
Name 3,3'-bis(methylthio)-1,1'-bibcyclo[1.1.1]-pentane
Alternate Name(s) 1-(methylsulfanyl)-3-[3-(methylsulfanyl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentane
CAS Registry Number 115092-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18S2
InChI InChI=1S/C12H18S2/c1-13-11-3-9(4-11,5-11)10-6-12(7-10,8-10)14-2/h3-8H2,1-2H3
InChIKey YABHNJCBIKDIKX-UHFFFAOYSA-N
Molecular Weight 226.396 g/mol
SMILES C12(C34CC(C4)(SC)C3)CC(C1)(SC)C2
SPLASH splash10-0006-9110000000-e337cf13d3d3f49d7392
Source of Spectrum K-121-1788-4
Wiley ID 1227401