| SpectraBase Compound ID | 5m1Yhq9SYa7 |
|---|---|
| InChI | InChI=1S/C36H40N4O6.Ni/c1-24(2)28(22-31(41)40-20-21-46-36(40)45)33(35(43)44)38-32(26-14-7-4-8-15-26)27-16-9-10-17-29(27)37-34(42)30-18-11-19-39(30)23-25-12-5-3-6-13-25;/h3-10,12-17,24,28,30,33H,11,18-23H2,1-2H3,(H2,37,38,42,43,44);/q;+2/p-2/t28-,30+,33-;/m1./s1 |
| InChIKey | KCWQYJQITQFXAV-NVXHLQDESA-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 | 3kC1kbPZalA |
|---|---|
| Name | KCWQYJQITQFXAV-NVXHLQDESA-L |
| Compound Number | 4D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H38N4NiO6 |
| InChI | InChI=1S/C36H40N4O6.Ni/c1-24(2)28(22-31(41)40-20-21-46-36(40)45)33(35(43)44)38-32(26-14-7-4-8-15-26)27-16-9-10-17-29(27)37-34(42)30-18-11-19-39(30)23-25-12-5-3-6-13-25;/h3-10,12-17,24,28,30,33H,11,18-23H2,1-2H3,(H2,37,38,42,43,44);/q;+2/p-2/t28-,30+,33-;/m1./s1 |
| InChIKey | KCWQYJQITQFXAV-NVXHLQDESA-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 | UWMS25859 |