| SpectraBase Compound ID | 7uUarKtBRLs |
|---|---|
| InChI | InChI=1S/2C39H37FN4O6.2Ni/c2*40-31-18-9-7-16-28(31)30(24-34(45)44-22-23-50-39(44)49)36(38(47)48)42-35(27-14-5-2-6-15-27)29-17-8-10-19-32(29)41-37(46)33-20-11-21-43(33)25-26-12-3-1-4-13-26;;/h2*1-10,12-19,30,33,36H,11,20-25H2,(H2,41,42,46,47,48);;/q;;2*+2/p-4/t2*30-,33+,36+;;/m11../s1 |
| InChIKey | TVVOTWVFTSQRQO-HGKUDORWSA-J |
| Mol Weight | 1466.8 g/mol |
| Molecular Formula | C78H70F2N8Ni2O12 |
| Exact Mass | 1464.37881 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9O3xg2izaI |
|---|---|
| Name | TVVOTWVFTSQRQO-HGKUDORWSA-J |
| Compound Number | 3R |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H70F2N8Ni2O12 |
| InChI | InChI=1S/2C39H37FN4O6.2Ni/c2*40-31-18-9-7-16-28(31)30(24-34(45)44-22-23-50-39(44)49)36(38(47)48)42-35(27-14-5-2-6-15-27)29-17-8-10-19-32(29)41-37(46)33-20-11-21-43(33)25-26-12-3-1-4-13-26;;/h2*1-10,12-19,30,33,36H,11,20-25H2,(H2,41,42,46,47,48);;/q;;2*+2/p-4/t2*30-,33+,36+;;/m11../s1 |
| InChIKey | TVVOTWVFTSQRQO-HGKUDORWSA-J |
| 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 | UWMS25884 |