| SpectraBase Compound ID | AAkVr46Iqno |
|---|---|
| InChI | InChI=1S/C40H37F3N4O6.Ni/c41-40(42,43)29-16-9-15-28(23-29)31(24-34(48)47-21-22-53-39(47)52)36(38(50)51)45-35(27-13-5-2-6-14-27)30-17-7-8-18-32(30)44-37(49)33-19-10-20-46(33)25-26-11-3-1-4-12-26;/h1-9,11-18,23,31,33,36H,10,19-22,24-25H2,(H2,44,45,49,50,51);/q;+2/p-2/t31-,33+,36+;/m1./s1 |
| InChIKey | LALKAXRHPSSCBL-JYBPKOPZSA-L |
| Mol Weight | 783.4 g/mol |
| Molecular Formula | C40H35F3N4NiO6 |
| Exact Mass | 782.186211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | or9Qn8luTP |
|---|---|
| Name | LALKAXRHPSSCBL-JYBPKOPZSA-L |
| Compound Number | 3M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H35F3N4NiO6 |
| InChI | InChI=1S/C40H37F3N4O6.Ni/c41-40(42,43)29-16-9-15-28(23-29)31(24-34(48)47-21-22-53-39(47)52)36(38(50)51)45-35(27-13-5-2-6-14-27)30-17-7-8-18-32(30)44-37(49)33-19-10-20-46(33)25-26-11-3-1-4-12-26;/h1-9,11-18,23,31,33,36H,10,19-22,24-25H2,(H2,44,45,49,50,51);/q;+2/p-2/t31-,33+,36+;/m1./s1 |
| InChIKey | LALKAXRHPSSCBL-JYBPKOPZSA-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 | 783.426 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25874 |