| SpectraBase Compound ID | 3POPm54tTy8 |
|---|---|
| InChI | InChI=1S/C39H38N4O6.Ni/c44-34(43-23-24-49-39(43)48)25-31(28-15-6-2-7-16-28)36(38(46)47)41-35(29-17-8-3-9-18-29)30-19-10-11-20-32(30)40-37(45)33-21-12-22-42(33)26-27-13-4-1-5-14-27;/h1-11,13-20,31,33,36H,12,21-26H2,(H2,40,41,45,46,47);/q;+2/p-2/t31-,33+,36+;/m1./s1 |
| InChIKey | ATHUMRUIRKVCHX-JYBPKOPZSA-L |
| Mol Weight | 715.4 g/mol |
| Molecular Formula | C39H36N4NiO6 |
| Exact Mass | 714.198827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFeEVgM8grl |
|---|---|
| Name | ATHUMRUIRKVCHX-JYBPKOPZSA-L |
| Compound Number | 3F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H36N4NiO6 |
| InChI | InChI=1S/C39H38N4O6.Ni/c44-34(43-23-24-49-39(43)48)25-31(28-15-6-2-7-16-28)36(38(46)47)41-35(29-17-8-3-9-18-29)30-19-10-11-20-32(30)40-37(45)33-21-12-22-42(33)26-27-13-4-1-5-14-27;/h1-11,13-20,31,33,36H,12,21-26H2,(H2,40,41,45,46,47);/q;+2/p-2/t31-,33+,36+;/m1./s1 |
| InChIKey | ATHUMRUIRKVCHX-JYBPKOPZSA-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 | 715.428 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25860 |