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1,6-DIBENZYL-1,6-DIPHOSPHONIABICYCLO[4.4.4]TETRADECANE_BROMIDE_TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 157Ngyef1qi
InChI InChI=1S/C26H38P2.CHF3O3S.BrH/c1-3-13-25(14-4-1)23-27-17-7-10-20-28(21-11-8-18-27,22-12-9-19-27)24-26-15-5-2-6-16-26;2-1(3,4)8(5,6)7;/h1-6,13-16H,7-12,17-24H2;(H,5,6,7);1H/q+2;;/p-2
InChIKey IEKGXBQCNLIBSL-UHFFFAOYSA-L
Mol Weight 641.5 g/mol
Molecular Formula C27H38BrF3O3P2S
Exact Mass 640.115238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9BcAWEL0Hr
Name 1,6-DIBENZYL-1,6-DIPHOSPHONIABICYCLO-[4.4.4]-TETRADECANE-BROMIDE-TRIFLUOROMETHANESULFONATE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38BrF3O3P2S
InChI InChI=1S/C26H38P2.CHF3O3S.BrH/c1-3-13-25(14-4-1)23-27-17-7-10-20-28(21-11-8-18-27,22-12-9-19-27)24-26-15-5-2-6-16-26;2-1(3,4)8(5,6)7;/h1-6,13-16H,7-12,17-24H2;(H,5,6,7);1H/q+2;;/p-2
InChIKey IEKGXBQCNLIBSL-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
Molecular Weight 641.504 g/mol
Solvent CD3CN
Source File Reference UWBS1020