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(2,18,20,26-Tetramethyl-octaaza-pentacyclo(17.7.7.2/3,6/.2/14,17/.1)hexatetracontanonaene) nickel dication
SpectraBase Compound ID IhrqMxwlL2a
InChI InChI=1S/C34H50N8.Ni/c1-27-33-23-35-10-6-11-36-24-34(28(2)38-13-7-12-37-27)30(4)42-20-16-40(17-21-42)26-32-9-5-8-31(22-32)25-39-14-18-41(19-15-39)29(33)3;/h5,8-9,22-24H,6-7,10-21,25-26H2,1-4H3;/q;+2/b33-29-,34-30-,35-23?,36-24?,37-27?,38-28?;
InChIKey YGDJEFHVWHZPPW-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 IVTxAkngrpR
Name (2,18,20,26-Tetramethyl-octaaza-pentacyclo(17.7.7.2/3,6/.2/14,17/.1)hexatetracontanonaene) nickel dication
CAS Registry Number 85630-95-1
Comments CHLORIDE 1,8,10,12,18,20,25,27,32-NONAENE 3,6,14,17,21,25,28,32-OCTAAZA
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H50N8Ni
InChI InChI=1S/C34H50N8.Ni/c1-27-33-23-35-10-6-11-36-24-34(28(2)38-13-7-12-37-27)30(4)42-20-16-40(17-21-42)26-32-9-5-8-31(22-32)25-39-14-18-41(19-15-39)29(33)3;/h5,8-9,22-24H,6-7,10-21,25-26H2,1-4H3;/q;+2/b33-29-,34-30-,35-23?,36-24?,37-27?,38-28?;
InChIKey YGDJEFHVWHZPPW-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