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

SpectraBase Compound ID	5tAsP0V4rQG
InChI	InChI=1S/C48H42Cl6N6/c49-37-19-7-1-13-31(37)25-55-43-44-56(26-32-14-2-8-20-38(32)50)47(55)48-57(27-33-15-3-9-21-39(33)51)45(59(43)29-35-17-5-11-23-41(35)53)46(58(48)28-34-16-4-10-22-40(34)52)60(44)30-36-18-6-12-24-42(36)54/h1-24,43-48H,25-30H2/t43-,44+,45+,46-,47+,48-
InChIKey	VRLTULNFFZIFRP-YIEHJZNPSA-N Google Search
Mol Weight	915.6 g/mol
Molecular Formula	C48H42Cl6N6
Exact Mass	912.160212 g/mol

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