| SpectraBase Compound ID | 82STLnKCa0q |
|---|---|
| InChI | InChI=1S/C40H40N4O7.Ni/c1-50-34-21-11-9-17-29(34)31(25-35(45)44-23-24-51-40(44)49)37(39(47)48)42-36(28-15-6-3-7-16-28)30-18-8-10-19-32(30)41-38(46)33-20-12-22-43(33)26-27-13-4-2-5-14-27;/h2-11,13-19,21,31,33,37H,12,20,22-26H2,1H3,(H2,41,42,46,47,48);/q;+2/p-2/t31-,33-,37+;/m0./s1 |
| InChIKey | KZUDXHHQLGTOHX-DUVWQUSQSA-L |
| Mol Weight | 745.5 g/mol |
| Molecular Formula | C40H38N4NiO7 |
| Exact Mass | 744.209392 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oVtzaX1wor |
|---|---|
| Name | KZUDXHHQLGTOHX-DUVWQUSQSA-L |
| Compound Number | 4I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H38N4NiO7 |
| InChI | InChI=1S/C40H40N4O7.Ni/c1-50-34-21-11-9-17-29(34)31(25-35(45)44-23-24-51-40(44)49)37(39(47)48)42-36(28-15-6-3-7-16-28)30-18-8-10-19-32(30)41-38(46)33-20-12-22-43(33)26-27-13-4-2-5-14-27;/h2-11,13-19,21,31,33,37H,12,20,22-26H2,1H3,(H2,41,42,46,47,48);/q;+2/p-2/t31-,33-,37+;/m0./s1 |
| InChIKey | KZUDXHHQLGTOHX-DUVWQUSQSA-L |
| Literature Reference Author | C.CAI,V.A.SOLOSHONOK,V.J.HRUBY |
| Literature Reference Citation | J.ORG.CHEM.,66,1339(2001) |
| Literature Reference DOI | 10.1021/jo0014865 |
| Molecular Weight | 745.454 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25867 |