| SpectraBase Compound ID | 5DtPgh7PExV |
|---|---|
| InChI | InChI=1S/C36H40N4O6.Ni/c1-2-12-27(23-31(41)40-21-22-46-36(40)45)33(35(43)44)38-32(26-15-7-4-8-16-26)28-17-9-10-18-29(28)37-34(42)30-19-11-20-39(30)24-25-13-5-3-6-14-25;/h3-10,13-18,27,30,33H,2,11-12,19-24H2,1H3,(H2,37,38,42,43,44);/q;+2/p-2/t27-,30-,33+;/m0./s1 |
| InChIKey | SGZLWQWWJVVZLL-PAWYRIAQSA-L |
| Mol Weight | 681.4 g/mol |
| Molecular Formula | C36H38N4NiO6 |
| Exact Mass | 680.214477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCCfbRrmmgn |
|---|---|
| Name | SGZLWQWWJVVZLL-PAWYRIAQSA-L |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38N4NiO6 |
| InChI | InChI=1S/C36H40N4O6.Ni/c1-2-12-27(23-31(41)40-21-22-46-36(40)45)33(35(43)44)38-32(26-15-7-4-8-16-26)28-17-9-10-18-29(28)37-34(42)30-19-11-20-39(30)24-25-13-5-3-6-14-25;/h3-10,13-18,27,30,33H,2,11-12,19-24H2,1H3,(H2,37,38,42,43,44);/q;+2/p-2/t27-,30-,33+;/m0./s1 |
| InChIKey | SGZLWQWWJVVZLL-PAWYRIAQSA-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 | 681.411 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25857 |