1,7,9-TRIMETHYL-3,5,12-TRIS-[2-(PYRIDIN-2-YL)-ETHYL]-3,5,12-TRIAZATETRACYCLO-[5.3.1.1(2,6).0(4,9)]-DODECANE

SpectraBase Compound ID	5QTWzBJrJIe
InChI	InChI=1S/C33H42N6/c1-31-22-32(2)24-33(3,23-31)30-38(20-14-26-11-5-8-17-35-26)28(31)37(19-13-25-10-4-7-16-34-25)29(32)39(30)21-15-27-12-6-9-18-36-27/h4-12,16-18,28-30H,13-15,19-24H2,1-3H3/t28-,29+,30-,31+,32-,33+
InChIKey	YIAMBYKWZRKRAR-JEXIHCBFSA-N Google Search
Mol Weight	522.7 g/mol
Molecular Formula	C33H42N6
Exact Mass	522.347095 g/mol

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SpectraBase Spectrum ID	Hxlz8C5TBFw
Name	1,7,9-TRIMETHYL-3,5,12-TRIS-[2-(PYRIDIN-2-YL)-ETHYL]-3,5,12-TRIAZATETRACYCLO-[5.3.1.1(2,6).0(4,9)]-DODECANE
Compound Number	5B
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C33H42N6
InChI	InChI=1S/C33H42N6/c1-31-22-32(2)24-33(3,23-31)30-38(20-14-26-11-5-8-17-35-26)28(31)37(19-13-25-10-4-7-16-34-25)29(32)39(30)21-15-27-12-6-9-18-36-27/h4-12,16-18,28-30H,13-15,19-24H2,1-3H3/t28-,29+,30-,31+,32-,33+
InChIKey	YIAMBYKWZRKRAR-JEXIHCBFSA-N
Literature Reference Author	H.IZUMI,S.FUTAMURA
Literature Reference Citation	J.CHEM.SOC.PERKIN-1,1925(1998)
Literature Reference DOI	10.1039/a801930d
Molecular Weight	522.737 g/mol
Solvent	CDCl3