| SpectraBase Compound ID | LKPw5J2E51e |
|---|---|
| InChI | InChI=1S/C40H37F3N4O6.Ni/c41-40(42,43)29-19-17-27(18-20-29)31(24-34(48)47-22-23-53-39(47)52)36(38(50)51)45-35(28-12-5-2-6-13-28)30-14-7-8-15-32(30)44-37(49)33-16-9-21-46(33)25-26-10-3-1-4-11-26;/h1-8,10-15,17-20,31,33,36H,9,16,21-25H2,(H2,44,45,49,50,51);/q;+2/p-2/t31-,33+,36+;/m1./s1 |
| InChIKey | VSNUXHWMHKNSAY-JYBPKOPZSA-L |
| Mol Weight | 783.4 g/mol |
| Molecular Formula | C40H35F3N4NiO6 |
| Exact Mass | 782.186211 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HY8q0q2v5k8 |
|---|---|
| Name | VSNUXHWMHKNSAY-JYBPKOPZSA-L |
| Compound Number | 3N |
| 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)29-19-17-27(18-20-29)31(24-34(48)47-22-23-53-39(47)52)36(38(50)51)45-35(28-12-5-2-6-13-28)30-14-7-8-15-32(30)44-37(49)33-16-9-21-46(33)25-26-10-3-1-4-11-26;/h1-8,10-15,17-20,31,33,36H,9,16,21-25H2,(H2,44,45,49,50,51);/q;+2/p-2/t31-,33+,36+;/m1./s1 |
| InChIKey | VSNUXHWMHKNSAY-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 |
| Solvent | CDCl3 |
| Source File Reference | UWMS25876 |