| SpectraBase Compound ID | 7qKIk6mr4f0 |
|---|---|
| InChI | InChI=1S/C39H36Cl2N4O6.Ni/c40-30-18-17-27(22-31(30)41)29(23-34(46)45-20-21-51-39(45)50)36(38(48)49)43-35(26-12-5-2-6-13-26)28-14-7-8-15-32(28)42-37(47)33-16-9-19-44(33)24-25-10-3-1-4-11-25;/h1-8,10-15,17-18,22,29,33,36H,9,16,19-21,23-24H2,(H2,42,43,47,48,49);/q;+2/p-2/t29-,33+,36+;/m1./s1 |
| InChIKey | NKUNLEKXWMVOFJ-UFNZFULFSA-L |
| Mol Weight | 784.3 g/mol |
| Molecular Formula | C39H34Cl2N4NiO6 |
| Exact Mass | 782.120882 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APhKQwIWAYZ |
|---|---|
| Name | NKUNLEKXWMVOFJ-UFNZFULFSA-L |
| Compound Number | 3U |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H34Cl2N4NiO6 |
| InChI | InChI=1S/C39H36Cl2N4O6.Ni/c40-30-18-17-27(22-31(30)41)29(23-34(46)45-20-21-51-39(45)50)36(38(48)49)43-35(26-12-5-2-6-13-26)28-14-7-8-15-32(28)42-37(47)33-16-9-19-44(33)24-25-10-3-1-4-11-25;/h1-8,10-15,17-18,22,29,33,36H,9,16,19-21,23-24H2,(H2,42,43,47,48,49);/q;+2/p-2/t29-,33+,36+;/m1./s1 |
| InChIKey | NKUNLEKXWMVOFJ-UFNZFULFSA-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 | 784.318 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25890 |