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(2,3,11,12,14,20-Hexamethyl-3,11,15,19,22,26-hexaaza-bicyclo(11.7.7)heptacosa-1,13,15,20,22,27-hexaene-K4-N)nickel dicat
SpectraBase Compound ID KLkqPRFQySP
InChI InChI=1S/C27H46N6.Ni/c1-22-26-20-28-14-12-15-29-21-27(23(2)31-17-13-16-30-22)25(4)33(6)19-11-9-7-8-10-18-32(5)24(26)3;/h20-21H,7-19H2,1-6H3;/q;+2/b26-24-,27-25-,28-20?,29-21?,30-22?,31-23?;
InChIKey RUPZVEQHEWCMSR-BSFVXKEZSA-N
Mol Weight 513.4 g/mol
Molecular Formula C27H46N6Ni
Exact Mass 512.313738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pwnQ1ooNx9
Name (2,3,11,12,14,20-Hexamethyl-3,11,15,19,22,26-hexaaza-bicyclo(11.7.7)heptacosa-1,13,15,20,22,27-hexaene-K4-N)nickel dicat
Comments ANION PF6-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H46N6Ni
InChI InChI=1S/C27H46N6.Ni/c1-22-26-20-28-14-12-15-29-21-27(23(2)31-17-13-16-30-22)25(4)33(6)19-11-9-7-8-10-18-32(5)24(26)3;/h20-21H,7-19H2,1-6H3;/q;+2/b26-24-,27-25-,28-20?,29-21?,30-22?,31-23?;
InChIKey RUPZVEQHEWCMSR-BSFVXKEZSA-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