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(1,3,12,13,15,21-Hexamethyl-3,12,16,20,23,27-hexaaza-bicyclo(12.7.7)octacosa-1,14,16,21,23,28-hexaene-K4-N)-nickel dicat
SpectraBase Compound ID CcmnHUCZytb
InChI InChI=1S/C28H48N6.Ni/c1-23-27-21-29-15-13-16-30-22-28(24(2)32-18-14-17-31-23)26(4)34(6)20-12-10-8-7-9-11-19-33(5)25(27)3;/h21-22H,7-20H2,1-6H3;/q;+2/b27-25-,28-26-,29-21?,30-22?,31-23?,32-24?;
InChIKey IPDFOBWIXZMHSU-OAGGMRPISA-N
Mol Weight 527.4 g/mol
Molecular Formula C28H48N6Ni
Exact Mass 526.329388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94Oz9Jxoewm
Name (1,3,12,13,15,21-Hexamethyl-3,12,16,20,23,27-hexaaza-bicyclo(12.7.7)octacosa-1,14,16,21,23,28-hexaene-K4-N)-nickel dicat
Comments ANION PF6-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C28H48N6Ni
InChI InChI=1S/C28H48N6.Ni/c1-23-27-21-29-15-13-16-30-22-28(24(2)32-18-14-17-31-23)26(4)34(6)20-12-10-8-7-9-11-19-33(5)25(27)3;/h21-22H,7-20H2,1-6H3;/q;+2/b27-25-,28-26-,29-21?,30-22?,31-23?,32-24?;
InChIKey IPDFOBWIXZMHSU-OAGGMRPISA-N
Instrument Name Bruker HX-90
Literature Reference D.H. Bush, D.J. Olszanski, J.C. Stevens, J. Am. Chem. Soc. 103, 1472 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3CN