2,4,6,8,10,12-HEXA-(2'-METHOXY-PHENYLMETHYL)-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE

SpectraBase Compound ID	BPoJWtD7art
InChI	InChI=1S/C54H60N6O6/c1-61-43-25-13-7-19-37(43)31-55-49-50-56(32-38-20-8-14-26-44(38)62-2)53(55)54-57(33-39-21-9-15-27-45(39)63-3)51(59(49)35-41-23-11-17-29-47(41)65-5)52(58(54)34-40-22-10-16-28-46(40)64-4)60(50)36-42-24-12-18-30-48(42)66-6/h7-30,49-54H,31-36H2,1-6H3/t49-,50+,51+,52-,53+,54-
InChIKey	JRGXIOMQSLARCW-NNHUMFKFSA-N Google Search
Mol Weight	889.1 g/mol
Molecular Formula	C54H60N6O6
Exact Mass	888.457434 g/mol

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SpectraBase Spectrum ID	JGSpJrtBWK8
Name	2,4,6,8,10,12-HEXA-(2'-METHOXY-PHENYLMETHYL)-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE
Comments	All methoxy-shift-vallues have been changed from 26.xy to 56.xy ppm.
Compound Number	3H
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C54H60N6O6/c1-61-43-25-13-7-19-37(43)31-55-49-50-56(32-38-20-8-14-26-44(38)62-2)53(55)54-57(33-39-21-9-15-27-45(39)63-3)51(59(49)35-41-23-11-17-29-47(41)65-5)52(58(54)34-40-22-10-16-28-46(40)64-4)60(50)36-42-24-12-18-30-48(42)66-6/h7-30,49-54H,31-36H2,1-6H3/t49-,50+,51+,52-,53+,54-
InChIKey	JRGXIOMQSLARCW-NNHUMFKFSA-N
Literature Reference	M.R.CRAMPTON,J.HAMID,R.MILLAR,G.FERGUSON J.CHEM.SOC.PERKIN-2,923(1993)
Solvent	Chloroform-d