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1-BENZYL-1-PHOSPHONIA-6-PHOSPHABICYCLO[4.4.4]TETRADECANE_TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 2rf5t1zEk5Z
InChI InChI=1S/C19H31P2.CHF3O3S/c1-2-10-19(11-3-1)18-21-15-7-4-12-20(13-5-8-16-21)14-6-9-17-21;2-1(3,4)8(5,6)7/h1-3,10-11H,4-9,12-18H2;(H,5,6,7)/q+1;/p-1
InChIKey BWEHHPUBFTYDAI-UHFFFAOYSA-M
Mol Weight 470.47 g/mol
Molecular Formula C20H31F3O3P2S
Exact Mass 470.142125 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gyp2W4A1iTG
Name 1-BENZYL-1-PHOSPHONIA-6-PHOSPHABICYCLO[4.4.4]TETRADECANE_TRIFLUOROMETHANESULFONATE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31F3O3P2S
InChI InChI=1S/C19H31P2.CHF3O3S/c1-2-10-19(11-3-1)18-21-15-7-4-12-20(13-5-8-16-21)14-6-9-17-21;2-1(3,4)8(5,6)7/h1-3,10-11H,4-9,12-18H2;(H,5,6,7)/q+1;/p-1
InChIKey BWEHHPUBFTYDAI-UHFFFAOYSA-M
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 CD2Cl2
Source File Reference UWBS1012