| SpectraBase Compound ID | L64vQagvy8z |
|---|---|
| InChI | InChI=1S/C39H33F5N4O6.Ni/c40-30-29(31(41)33(43)34(44)32(30)42)25(20-28(49)48-18-19-54-39(48)53)36(38(51)52)46-35(23-12-5-2-6-13-23)24-14-7-8-15-26(24)45-37(50)27-16-9-17-47(27)21-22-10-3-1-4-11-22;/h1-8,10-15,25,27,36H,9,16-21H2,(H2,45,46,50,51,52);/q;+2/p-2/t25-,27+,36+;/m1./s1 |
| InChIKey | UKGSQYHDHYPAQT-GPRUGPIJSA-L |
| Mol Weight | 805.4 g/mol |
| Molecular Formula | C39H31F5N4NiO6 |
| Exact Mass | 804.151718 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bqWM0sMEAJ |
|---|---|
| Name | UKGSQYHDHYPAQT-GPRUGPIJSA-L |
| Compound Number | 3P |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H31F5N4NiO6 |
| InChI | InChI=1S/C39H33F5N4O6.Ni/c40-30-29(31(41)33(43)34(44)32(30)42)25(20-28(49)48-18-19-54-39(48)53)36(38(51)52)46-35(23-12-5-2-6-13-23)24-14-7-8-15-26(24)45-37(50)27-16-9-17-47(27)21-22-10-3-1-4-11-22;/h1-8,10-15,25,27,36H,9,16-21H2,(H2,45,46,50,51,52);/q;+2/p-2/t25-,27+,36+;/m1./s1 |
| InChIKey | UKGSQYHDHYPAQT-GPRUGPIJSA-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 | UWMS25880 |