2,4,6,8,10,12-HEXA-(4'-CHLORO-PHENYL-[2H2]-METHYL)-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE

SpectraBase Compound ID	I5fudLI7tuF
InChI	InChI=1S/C48H42Cl6N6/c49-37-13-1-31(2-14-37)25-55-43-45-56(26-32-3-15-38(50)16-4-32)46-44(55)58(28-34-7-19-40(52)20-8-34)48(60(46)30-36-11-23-42(54)24-12-36)47(57(43)27-33-5-17-39(51)18-6-33)59(45)29-35-9-21-41(53)22-10-35/h1-24,43-48H,25-30H2/t43-,44-,45-,46+,47+,48-/m1/s1/i25D2,26D2,27D2,28D2,29D2,30D2
InChIKey	NQBCQGPWLJOCNQ-FJHMBMNPSA-N Google Search
Mol Weight	927.7 g/mol
Molecular Formula	C48H302H12Cl6N6
Exact Mass	924.235533 g/mol

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SpectraBase Spectrum ID	JLmqqDgrDVA
Name	2,4,6,8,10,12-HEXA-(4'-CHLORO-PHENYL-[2H2]-METHYL)-2,4,6,8,10,12-HEXAAZA-TETRACYCLO-[5.5.0(5,9).0(3,11)]-DODECANE
Compound Number	3I
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C48H42Cl6N6/c49-37-13-1-31(2-14-37)25-55-43-45-56(26-32-3-15-38(50)16-4-32)46-44(55)58(28-34-7-19-40(52)20-8-34)48(60(46)30-36-11-23-42(54)24-12-36)47(57(43)27-33-5-17-39(51)18-6-33)59(45)29-35-9-21-41(53)22-10-35/h1-24,43-48H,25-30H2/t43-,44-,45-,46+,47+,48-/m1/s1/i25D2,26D2,27D2,28D2,29D2,30D2
InChIKey	NQBCQGPWLJOCNQ-FJHMBMNPSA-N
Literature Reference	M.R.CRAMPTON,J.HAMID,R.MILLAR,G.FERGUSON J.CHEM.SOC.PERKIN-2,923(1993)
Solvent	Chloroform-d