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(2,17,19,25-Tetramethyl-octaaza-pentacyclo(16.7.7.2/8,11/.2/3,6/.2)hexatetracontanonaene) nickel dication
SpectraBase Compound ID 41ZiX8s7HZu
InChI InChI=1S/C34H50N8.Ni/c1-27-33-23-35-11-5-12-36-24-34(28(2)38-14-6-13-37-27)30(4)42-21-17-40(18-22-42)26-32-9-7-31(8-10-32)25-39-15-19-41(20-16-39)29(33)3;/h7-10,23-24H,5-6,11-22,25-26H2,1-4H3;/q;+2/b33-29-,34-30-,35-23?,36-24?,37-27?,38-28?;
InChIKey GXSXJQYDUGIXPC-HWXOOXKSSA-N
Mol Weight 629.5 g/mol
Molecular Formula C34H50N8Ni
Exact Mass 628.351186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Xt16tB9Pu5
Name (2,17,19,25-Tetramethyl-octaaza-pentacyclo(16.7.7.2/8,11/.2/3,6/.2)hexatetracontanonaene) nickel dication
CAS Registry Number 85630-87-1
Comments ANION PF6- 1,8,10,17,19,24,26,31,33-NONAENE 3,6,13,16,20,24,27,31-OCTAAZA REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H50N8Ni
InChI InChI=1S/C34H50N8.Ni/c1-27-33-23-35-11-5-12-36-24-34(28(2)38-14-6-13-37-27)30(4)42-21-17-40(18-22-42)26-32-9-7-31(8-10-32)25-39-15-19-41(20-16-39)29(33)3;/h7-10,23-24H,5-6,11-22,25-26H2,1-4H3;/q;+2/b33-29-,34-30-,35-23?,36-24?,37-27?,38-28?;
InChIKey GXSXJQYDUGIXPC-HWXOOXKSSA-N
Instrument Name Bruker WP-80
Literature Reference K.J. Takeuchi, D.H. Busch, N. Alcock, J. Am. Chem. Soc. 105, 4261 (1983).
NMR Standard CD3CN
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3CN