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

SpectraBase Compound ID	7tt7SM9obcw
InChI	InChI=1S/C54H60N6/c1-37-7-19-43(20-8-37)31-55-49-50-56(32-44-21-9-38(2)10-22-44)53(55)54-57(33-45-23-11-39(3)12-24-45)51(59(49)35-47-27-15-41(5)16-28-47)52(58(54)34-46-25-13-40(4)14-26-46)60(50)36-48-29-17-42(6)18-30-48/h7-30,49-54H,31-36H2,1-6H3/t49-,50+,51+,52-,53+,54-
InChIKey	ITOMXIVFQXOVFI-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	11xHltHz9Wi
Name	2,4,6,8,10,12-HEXA-(4'-METHYL-PHENYLMETHYL)-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE
Compound Number	3E
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C54H60N6/c1-37-7-19-43(20-8-37)31-55-49-50-56(32-44-21-9-38(2)10-22-44)53(55)54-57(33-45-23-11-39(3)12-24-45)51(59(49)35-47-27-15-41(5)16-28-47)52(58(54)34-46-25-13-40(4)14-26-46)60(50)36-48-29-17-42(6)18-30-48/h7-30,49-54H,31-36H2,1-6H3/t49-,50+,51+,52-,53+,54-
InChIKey	ITOMXIVFQXOVFI-NNHUMFKFSA-N
Literature Reference	M.R.CRAMPTON,J.HAMID,R.MILLAR,G.FERGUSON J.CHEM.SOC.PERKIN-2,923(1993)
Solvent	Chloroform-d