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1,6-DIPHOSPHONIATRICYCLO-[4.3.3.0]-DODECANEDIUM-BIS-(TRIFLUOROMETHANESULFONATE)
SpectraBase Compound ID 1s6GJy6MtbB
InChI InChI=1S/C10H20P2.2CHF3O3S/c1-2-6-12-9-3-7-11(12,5-1)8-4-10-12;2*2-1(3,4)8(5,6)7/h1-10H2;2*(H,5,6,7)/q+2;;/p-2/t11-,12+;;
InChIKey OGEQKZNDCLKXPO-FYPKGCJUSA-L
Mol Weight 500.34 g/mol
Molecular Formula C12H20F6O6P2S2
Exact Mass 500.008074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HjXSxwxHZW
Name 1,6-DIPHOSPHONIATRICYCLO-[4.3.3.0]-DODECANEDIUM-BIS-(TRIFLUOROMETHANESULFONATE)
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20F6O6P2S2
InChI InChI=1S/C10H20P2.2CHF3O3S/c1-2-6-12-9-3-7-11(12,5-1)8-4-10-12;2*2-1(3,4)8(5,6)7/h1-10H2;2*(H,5,6,7)/q+2;;/p-2/t11-,12+;;
InChIKey OGEQKZNDCLKXPO-FYPKGCJUSA-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
Molecular Weight 500.345 g/mol
Solvent CD3CN
Source File Reference UWBS1005