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4,4-Bis-(methylthio)-tricyclo-[3.2.1.0(2,7)]-octan-3-one
SpectraBase Compound ID AwfDscOQpev
InChI InChI=1S/C10H14OS2/c1-12-10(13-2)5-3-6-7(4-5)8(6)9(10)11/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8+
InChIKey BBSJZMLURNMAFY-KVFPUHGPSA-N
Mol Weight 214.34 g/mol
Molecular Formula C10H14OS2
Exact Mass 214.048607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xM0jZHxvxu
Name 4,4-BIS-(METHYLTHIO)-TRICYCLO-[3.2.1.0(2,7)]-OCTAN-3-ONE
CAS Registry Number 95841-59-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14OS2
InChI InChI=1S/C10H14OS2/c1-12-10(13-2)5-3-6-7(4-5)8(6)9(10)11/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8+
InChIKey BBSJZMLURNMAFY-KVFPUHGPSA-N
Literature Reference Author R.J.ISRAEL,R.K.MURRAY
Literature Reference Citation J.ORG.CHEM.,50,1573(1985)
Literature Reference DOI 10.1021/jo00210a002
Molecular Weight 214.341 g/mol
Solvent CDCl3
Source File Reference UWGB535