| SpectraBase Compound ID | Kz1i6kxfXsw |
|---|---|
| InChI | InChI=1S/C42H68N12.2Ni/c1-3-7-15-43-27-39-31-47-19-11-23-51-35-41(36-52-24-12-20-48-32-39)29-45-17-9-5-2-6-10-18-46-30-42-37-53-25-13-21-49-33-40(28-44-16-8-4-1)34-50-22-14-26-54-38-42;;/h27-38,43-46H,1-26H2;;/q;2*+2/b39-27-,40-28-,41-29-,42-30-,47-31?,48-32?,49-33?,50-34?,51-35?,52-36?,53-37?,54-38?;; |
| InChIKey | ZUDYCAPZPHKTQK-DQQROSAKSA-N |
| Mol Weight | 858.5 g/mol |
| Molecular Formula | C42H68N12Ni2 |
| Exact Mass | 856.439674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ji3P6ebWwOZ |
|---|---|
| Name | Heptamethylene-bridged-dinickel complex |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H68N12Ni2 |
| InChI | InChI=1S/C42H68N12.2Ni/c1-3-7-15-43-27-39-31-47-19-11-23-51-35-41(36-52-24-12-20-48-32-39)29-45-17-9-5-2-6-10-18-46-30-42-37-53-25-13-21-49-33-40(28-44-16-8-4-1)34-50-22-14-26-54-38-42;;/h27-38,43-46H,1-26H2;;/q;2*+2/b39-27-,40-28-,41-29-,42-30-,47-31?,48-32?,49-33?,50-34?,51-35?,52-36?,53-37?,54-38?;; |
| InChIKey | ZUDYCAPZPHKTQK-DQQROSAKSA-N |
| Instrument Name | Bruker WP-80 |
| Literature Reference | D.H. Busch, G.G. Christoph, L.L.Zimmer, J. Am. Chem. Soc. 103, 5107 (1981). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3CN |