| SpectraBase Compound ID | 92HtGVX8Zn2 |
|---|---|
| InChI | InChI=1S/C43H40N4O6.Ni/c48-38(47-25-26-53-43(47)52)27-35(33-21-11-18-30-15-7-8-19-32(30)33)40(42(50)51)45-39(31-16-5-2-6-17-31)34-20-9-10-22-36(34)44-41(49)37-23-12-24-46(37)28-29-13-3-1-4-14-29;/h1-11,13-22,35,37,40H,12,23-28H2,(H2,44,45,49,50,51);/q;+2/p-2/t35-,37-,40+;/m0./s1 |
| InChIKey | VQTRFABHRSJUIY-YINBPEHTSA-L |
| Mol Weight | 765.5 g/mol |
| Molecular Formula | C43H38N4NiO6 |
| Exact Mass | 764.214477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AVJQVQyYbeD |
|---|---|
| Name | VQTRFABHRSJUIY-YINBPEHTSA-L |
| Compound Number | 4G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H38N4NiO6 |
| InChI | InChI=1S/C43H40N4O6.Ni/c48-38(47-25-26-53-43(47)52)27-35(33-21-11-18-30-15-7-8-19-32(30)33)40(42(50)51)45-39(31-16-5-2-6-17-31)34-20-9-10-22-36(34)44-41(49)37-23-12-24-46(37)28-29-13-3-1-4-14-29;/h1-11,13-22,35,37,40H,12,23-28H2,(H2,44,45,49,50,51);/q;+2/p-2/t35-,37-,40+;/m0./s1 |
| InChIKey | VQTRFABHRSJUIY-YINBPEHTSA-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 | 765.488 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25863 |