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VSNUXHWMHKNSAY-IEZPHGCSSA-L
SpectraBase Compound ID 6D6HvQdJNnS
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+;/m0./s1
InChIKey VSNUXHWMHKNSAY-IEZPHGCSSA-L
Mol Weight 783.4 g/mol
Molecular Formula C40H35F3N4NiO6
Exact Mass 782.186211 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73awK6dDE8H
Name VSNUXHWMHKNSAY-IEZPHGCSSA-L
Compound Number 4N
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+;/m0./s1
InChIKey VSNUXHWMHKNSAY-IEZPHGCSSA-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 UWMS25877