#9.2BR;1-[4-[TRIS-[4-[4-(DIHYDROPHOSPHONO)-PHENYL]-PHENYL]-METHYL]-PHENYL]-1'-[4-[2-(2-PHENOXYETHOXY)-ETHOXY]-BENZYL]-4,4'-BIPYRIDINIUM-DIBROMIDE

SpectraBase Compound ID	DZE4cSqSh9Q
InChI	InChI=1S/C70H59N2O12P3.2BrH/c73-85(74,75)67-32-14-55(15-33-67)52-8-20-60(21-9-52)70(61-22-10-53(11-23-61)56-16-34-68(35-17-56)86(76,77)78,62-24-12-54(13-25-62)57-18-36-69(37-19-57)87(79,80)81)63-26-28-64(29-27-63)72-44-40-59(41-45-72)58-38-42-71(43-39-58)50-51-6-30-66(31-7-51)84-49-47-82-46-48-83-65-4-2-1-3-5-65;;/h1-45H,46-50H2,(H4-2,73,74,75,76,77,78,79,80,81);2*1H
InChIKey	KRILYVSDVCOGGO-UHFFFAOYSA-N Google Search
Mol Weight	1374.989 g/mol
Molecular Formula	C70H61Br2N2O12P3
Exact Mass	1372.180412 g/mol

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SpectraBase Spectrum ID	Lqjr4v1MGAL
Name	#9.2BR;1-[4-[TRIS-[4-[4-(DIHYDROPHOSPHONO)-PHENYL]-PHENYL]-METHYL]-PHENYL]-1'-[4-[2-(2-PHENOXYETHOXY)-ETHOXY]-BENZYL]-4,4'-BIPYRIDINIUM-DIBROMIDE
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C70H55Br2N2O12P3
InChI	InChI=1S/C70H59N2O12P3.2BrH/c73-85(74,75)67-32-14-55(15-33-67)52-8-20-60(21-9-52)70(61-22-10-53(11-23-61)56-16-34-68(35-17-56)86(76,77)78,62-24-12-54(13-25-62)57-18-36-69(37-19-57)87(79,80)81)63-26-28-64(29-27-63)72-44-40-59(41-45-72)58-38-42-71(43-39-58)50-51-6-30-66(31-7-51)84-49-47-82-46-48-83-65-4-2-1-3-5-65;;/h1-45H,46-50H2,(H4-2,73,74,75,76,77,78,79,80,81);2*1H
InChIKey	KRILYVSDVCOGGO-UHFFFAOYSA-N
Literature Reference Author	B.LONG,K.NIKITIN,D.FITZMAURICE
Literature Reference Citation	J.AM.CHEM.SOC.,125,5152(2003)
Literature Reference DOI	10.1021/ja028870z
Solvent	CDCl3:CD3OD
Source File Reference	UWLU40955