| SpectraBase Compound ID | Cota92wQwz4 |
|---|---|
| InChI | InChI=1S/C40H40N4O7.Ni/c1-50-30-17-10-16-29(24-30)32(25-35(45)44-22-23-51-40(44)49)37(39(47)48)42-36(28-14-6-3-7-15-28)31-18-8-9-19-33(31)41-38(46)34-20-11-21-43(34)26-27-12-4-2-5-13-27;/h2-10,12-19,24,32,34,37H,11,20-23,25-26H2,1H3,(H2,41,42,46,47,48);/q;+2/p-2/t32-,34+,37+;/m1./s1 |
| InChIKey | AHQPOBKJMKMDHE-GZXZKRQJSA-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 | 4BSajUfxW8i |
|---|---|
| Name | AHQPOBKJMKMDHE-GZXZKRQJSA-L |
| Compound Number | 3J |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H38N4NiO7 |
| InChI | InChI=1S/C40H40N4O7.Ni/c1-50-30-17-10-16-29(24-30)32(25-35(45)44-22-23-51-40(44)49)37(39(47)48)42-36(28-14-6-3-7-15-28)31-18-8-9-19-33(31)41-38(46)34-20-11-21-43(34)26-27-12-4-2-5-13-27;/h2-10,12-19,24,32,34,37H,11,20-23,25-26H2,1H3,(H2,41,42,46,47,48);/q;+2/p-2/t32-,34+,37+;/m1./s1 |
| InChIKey | AHQPOBKJMKMDHE-GZXZKRQJSA-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 | UWMS25868 |