| SpectraBase Compound ID | Dkvx0YuE8ZB |
|---|---|
| InChI | InChI=1S/C39H36F2N4O6.Ni/c40-29-16-9-17-30(41)34(29)28(23-33(46)45-21-22-51-39(45)50)36(38(48)49)43-35(26-13-5-2-6-14-26)27-15-7-8-18-31(27)42-37(47)32-19-10-20-44(32)24-25-11-3-1-4-12-25;/h1-9,11-18,28,32,36H,10,19-24H2,(H2,42,43,47,48,49);/q;+2/p-2/t28-,32-,36+;/m0./s1 |
| InChIKey | PUBCYBLZTDORLK-KNIKOBIJSA-L |
| Mol Weight | 751.4 g/mol |
| Molecular Formula | C39H34F2N4NiO6 |
| Exact Mass | 750.179983 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jdcq2jOYvrX |
|---|---|
| Name | PUBCYBLZTDORLK-KNIKOBIJSA-L |
| Compound Number | 4Q |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H34F2N4NiO6 |
| InChI | InChI=1S/C39H36F2N4O6.Ni/c40-29-16-9-17-30(41)34(29)28(23-33(46)45-21-22-51-39(45)50)36(38(48)49)43-35(26-13-5-2-6-14-26)27-15-7-8-18-31(27)42-37(47)32-19-10-20-44(32)24-25-11-3-1-4-12-25;/h1-9,11-18,28,32,36H,10,19-24H2,(H2,42,43,47,48,49);/q;+2/p-2/t28-,32-,36+;/m0./s1 |
| InChIKey | PUBCYBLZTDORLK-KNIKOBIJSA-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 | UWMS25883 |