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1-BENZYL-5-METHYL-1,5-DIPHOSPHONIABICYCLO-[3.3.3]-UNDECANE-BIS-(TRIFLUOROMETHANESULFONATE)
SpectraBase Compound ID B21jVyF8DOO
InChI InChI=1S/C17H28P2.2CHF3O3S/c1-18-10-5-13-19(14-6-11-18,15-7-12-18)16-17-8-3-2-4-9-17;2*2-1(3,4)8(5,6)7/h2-4,8-9H,5-7,10-16H2,1H3;2*(H,5,6,7)/q+2;;/p-2
InChIKey KRMULUPCQGVVBI-UHFFFAOYSA-L
Mol Weight 592.48 g/mol
Molecular Formula C19H28F6O6P2S2
Exact Mass 592.070674 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OvSgfIhhhy
Name 1-BENZYL-5-METHYL-1,5-DIPHOSPHONIA-BICYCLO-[3.3.3]-UNDECANE_BIS-(TRIFLUOROMETHANESULFONATE)
Compound Number 23B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28F6O6P2S2
InChI InChI=1S/C17H28P2.2CHF3O3S/c1-18-10-5-13-19(14-6-11-18,15-7-12-18)16-17-8-3-2-4-9-17;2*2-1(3,4)8(5,6)7/h2-4,8-9H,5-7,10-16H2,1H3;2*(H,5,6,7)/q+2;;/p-2
InChIKey KRMULUPCQGVVBI-UHFFFAOYSA-L
Literature Reference Author R.W.ALDER,D.D.ELLIS,R.GLEITER,C.J.HARRIS,H.LANGE,A.G.ORPEN,D .READ,P.N.TAYLOR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1657(1998)
Literature Reference DOI 10.1039/a800595h
Solvent CD3CN
Source File Reference UWBS1017