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ENDO-2-BROMO-5-THIABICYCLO-[2.1.1]-HEXANE-5,5-DIOXIDE
SpectraBase Compound ID 1xxNY9QspaZ
InChI InChI=1S/C5H7BrO2S/c6-4-1-3-2-5(4)9(3,7)8/h3-5H,1-2H2/t3-,4-,5-/m1/s1
InChIKey MVSXEMLBCHRNAW-UOWFLXDJSA-N
Mol Weight 211.07 g/mol
Molecular Formula C5H7BrO2S
Exact Mass 209.935014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1l460YOtNm
Name ENDO-2-BROMO-5-THIABICYCLO-[2.1.1]-HEXANE-5,5-DIOXIDE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H7BrO2S
InChI InChI=1S/C5H7BrO2S/c6-4-1-3-2-5(4)9(3,7)8/h3-5H,1-2H2/t3-,4-,5-/m1/s1
InChIKey MVSXEMLBCHRNAW-UOWFLXDJSA-N
Literature Reference Author E.BLOCK,M.THIRUVAZHI,P.J.TOSCANO,T.BAYER,S.GRISONI,S.H.ZHAO
Literature Reference Citation J.AM.CHEM.SOC.,118,2790(1996)
Literature Reference DOI 10.1021/ja951134t
Molecular Weight 211.073 g/mol
Sample ID 57073
Solvent CDCl3