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

SpectraBase Compound ID	AgAJ1LOmnOq
InChI	InChI=1S/C54H60N6/c1-37-19-7-13-25-43(37)31-55-49-50-56(32-44-26-14-8-20-38(44)2)53(55)54-57(33-45-27-15-9-21-39(45)3)51(59(49)35-47-29-17-11-23-41(47)5)52(58(54)34-46-28-16-10-22-40(46)4)60(50)36-48-30-18-12-24-42(48)6/h7-30,49-54H,31-36H2,1-6H3/t49-,50+,51+,52-,53+,54-
InChIKey	XFLLJPPZNJSJII-NNHUMFKFSA-N Google Search
Mol Weight	793.1 g/mol
Molecular Formula	C54H60N6
Exact Mass	792.487946 g/mol

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SpectraBase Spectrum ID	JbkvPH5sJ2G
Name	2,4,6,8,10,12-HEXA-(2'-METHYL-PHENYLMETHYL)-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE
Compound Number	3D
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C54H60N6/c1-37-19-7-13-25-43(37)31-55-49-50-56(32-44-26-14-8-20-38(44)2)53(55)54-57(33-45-27-15-9-21-39(45)3)51(59(49)35-47-29-17-11-23-41(47)5)52(58(54)34-46-28-16-10-22-40(46)4)60(50)36-48-30-18-12-24-42(48)6/h7-30,49-54H,31-36H2,1-6H3/t49-,50+,51+,52-,53+,54-
InChIKey	XFLLJPPZNJSJII-NNHUMFKFSA-N
Literature Reference	M.R.CRAMPTON,J.HAMID,R.MILLAR,G.FERGUSON J.CHEM.SOC.PERKIN-2,923(1993)
Solvent	Chloroform-d