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(2,9,10,17,19,25,33,34-Octamethyl-octaaza-pentacyclo(16.7.7.2.2.2)hexatetracontanonaene) nickel dication
SpectraBase Compound ID 5GEsheNaXBS
InChI InChI=1S/C38H58N8.Ni/c1-27-28(2)38-26-44-17-21-46(22-18-44)34(8)36-24-40-12-9-11-39-23-35(31(5)41-13-10-14-42-32(36)6)33(7)45-19-15-43(16-20-45)25-37(27)29(3)30(38)4;/h23-24H,9-22,25-26H2,1-8H3;/q;+2/b35-33-,36-34-,39-23?,40-24?,41-31?,42-32?;
InChIKey LSGCBZQTTMPCKT-UZLBFVHHSA-N
Mol Weight 685.6 g/mol
Molecular Formula C38H58N8Ni
Exact Mass 684.413786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dABOUFAs34
Name (2,9,10,17,19,25,33,34-Octamethyl-octaaza-pentacyclo(16.7.7.2.2.2)hexatetracontanonaene) nickel dication
CAS Registry Number 85630-88-2
Comments ANION PF6- 1,8,10,17,19,24,26,31,33-NONAENE 3,6,13,16,20,24,27,31-OCTAAZA
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C38H58N8Ni
InChI InChI=1S/C38H58N8.Ni/c1-27-28(2)38-26-44-17-21-46(22-18-44)34(8)36-24-40-12-9-11-39-23-35(31(5)41-13-10-14-42-32(36)6)33(7)45-19-15-43(16-20-45)25-37(27)29(3)30(38)4;/h23-24H,9-22,25-26H2,1-8H3;/q;+2/b35-33-,36-34-,39-23?,40-24?,41-31?,42-32?;
InChIKey LSGCBZQTTMPCKT-UZLBFVHHSA-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