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UKGSQYHDHYPAQT-FEUIYXAHSA-L
SpectraBase Compound ID 9UMqGD3w51A
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+;/m0./s1
InChIKey UKGSQYHDHYPAQT-FEUIYXAHSA-L
Mol Weight 805.4 g/mol
Molecular Formula C39H31F5N4NiO6
Exact Mass 804.151718 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2jWkNcpdIU
Name UKGSQYHDHYPAQT-FEUIYXAHSA-L
Compound Number 4P
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+;/m0./s1
InChIKey UKGSQYHDHYPAQT-FEUIYXAHSA-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 UWMS25881