| SpectraBase Compound ID | 19xQsxsId4P |
|---|---|
| InChI | InChI=1S/C39H37N5O8.Ni/c45-34(43-22-23-52-39(43)49)24-31(27-17-19-29(20-18-27)44(50)51)36(38(47)48)41-35(28-12-5-2-6-13-28)30-14-7-8-15-32(30)40-37(46)33-16-9-21-42(33)25-26-10-3-1-4-11-26;/h1-8,10-15,17-20,31,33,36H,9,16,21-25H2,(H2,40,41,46,47,48);/q;+2/p-2/t31-,33-,36+;/m0./s1 |
| InChIKey | KWWBPQNPQTVONE-IEZPHGCSSA-L |
| Mol Weight | 760.4 g/mol |
| Molecular Formula | C39H35N5NiO8 |
| Exact Mass | 759.183905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTfsDMO3PaK |
|---|---|
| Name | KWWBPQNPQTVONE-IEZPHGCSSA-L |
| Compound Number | 4V |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H35N5NiO8 |
| InChI | InChI=1S/C39H37N5O8.Ni/c45-34(43-22-23-52-39(43)49)24-31(27-17-19-29(20-18-27)44(50)51)36(38(47)48)41-35(28-12-5-2-6-13-28)30-14-7-8-15-32(30)40-37(46)33-16-9-21-42(33)25-26-10-3-1-4-11-26;/h1-8,10-15,17-20,31,33,36H,9,16,21-25H2,(H2,40,41,46,47,48);/q;+2/p-2/t31-,33-,36+;/m0./s1 |
| InChIKey | KWWBPQNPQTVONE-IEZPHGCSSA-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 | 760.426 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25893 |