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(2,18,20,26-Tetramethyl-nonaaza-pentacyclo(17.7.7.2/3,6/.2/14,17/.1)hexatetracontanonaene) nickel dication
SpectraBase Compound ID yq3uuj4rxc
InChI InChI=1S/C33H49N9.Ni/c1-26-32-22-34-10-6-11-35-23-33(27(2)37-13-7-12-36-26)29(4)42-20-16-40(17-21-42)25-31-9-5-8-30(38-31)24-39-14-18-41(19-15-39)28(32)3;/h5,8-9,22-23H,6-7,10-21,24-25H2,1-4H3;/q;+2/b32-28-,33-29-,34-22?,35-23?,36-26?,37-27?;
InChIKey JJUGQQQXNBOVCQ-HDAIXEOCSA-N
Mol Weight 630.5 g/mol
Molecular Formula C33H49N9Ni
Exact Mass 629.346435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ofvSwBFbQh
Name (2,18,20,26-Tetramethyl-nonaaza-pentacyclo(17.7.7.2/3,6/.2/14,17/.1)hexatetracontanonaene) nickel dication
CAS Registry Number 85630-92-8
Comments ANION PF6- 1,8,10,12,18,20,25,27,32-NONAENE 3,6,14,17,21,25,28,32,34-NONAAZA
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H49N9Ni
InChI InChI=1S/C33H49N9.Ni/c1-26-32-22-34-10-6-11-35-23-33(27(2)37-13-7-12-36-26)29(4)42-20-16-40(17-21-42)25-31-9-5-8-30(38-31)24-39-14-18-41(19-15-39)28(32)3;/h5,8-9,22-23H,6-7,10-21,24-25H2,1-4H3;/q;+2/b32-28-,33-29-,34-22?,35-23?,36-26?,37-27?;
InChIKey JJUGQQQXNBOVCQ-HDAIXEOCSA-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