5,17-BIS-[(3-METHYLIMIDAZOL-3-IUMYL)-METHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-DICHLORIDE

SpectraBase Compound ID	4YyvJveLqyN
InChI	InChI=1S/C50H62N4O4.2ClH/c1-7-21-55-47-39-13-11-14-40(47)30-44-26-38(34-54-20-18-52(6)36-54)28-46(50(44)58-24-10-4)32-42-16-12-15-41(48(42)56-22-8-2)31-45-27-37(33-53-19-17-51(5)35-53)25-43(29-39)49(45)57-23-9-3;;/h11-20,25-28,35-36H,7-10,21-24,29-34H2,1-6H3;2*1H/q+2;;/p-2
InChIKey	JPESNWHJTKRCJB-UHFFFAOYSA-L Google Search
Mol Weight	853.98 g/mol
Molecular Formula	C50H62Cl2N4O4
Exact Mass	852.414812 g/mol

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SpectraBase Spectrum ID	F38GskiGo2m
Name	5,17-BIS-[(3-METHYLIMIDAZOL-3-IUMYL)-METHYL]-25,26,27,28-TETRAPROPOXYCALIX-[4]-ARENE-DICHLORIDE
Compound Number	5A
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C50H62Cl2N4O4
InChI	InChI=1S/C50H62N4O4.2ClH/c1-7-21-55-47-39-13-11-14-40(47)30-44-26-38(34-54-20-18-52(6)36-54)28-46(50(44)58-24-10-4)32-42-16-12-15-41(48(42)56-22-8-2)31-45-27-37(33-53-19-17-51(5)35-53)25-43(29-39)49(45)57-23-9-3;;/h11-20,25-28,35-36H,7-10,21-24,29-34H2,1-6H3;2*1H/q+2;;/p-2
InChIKey	JPESNWHJTKRCJB-UHFFFAOYSA-L
Literature Reference Author	T.FAHLBUSCH,M.FRANK,J.SCHATZ,H.SCHMADERER
Literature Reference Citation	EUR.J.ORG.CHEM.,1899(2006)
Molecular Weight	853.973 g/mol
Sample ID	31921
Solvent	CDCl3