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LALKAXRHPSSCBL-IEZPHGCSSA-L
SpectraBase Compound ID H1TpTziCfoK
InChI InChI=1S/C40H37F3N4O6.Ni/c41-40(42,43)29-16-9-15-28(23-29)31(24-34(48)47-21-22-53-39(47)52)36(38(50)51)45-35(27-13-5-2-6-14-27)30-17-7-8-18-32(30)44-37(49)33-19-10-20-46(33)25-26-11-3-1-4-12-26;/h1-9,11-18,23,31,33,36H,10,19-22,24-25H2,(H2,44,45,49,50,51);/q;+2/p-2/t31-,33-,36+;/m0./s1
InChIKey LALKAXRHPSSCBL-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 Lognf0y0xyt
Name LALKAXRHPSSCBL-IEZPHGCSSA-L
Compound Number 4M
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)29-16-9-15-28(23-29)31(24-34(48)47-21-22-53-39(47)52)36(38(50)51)45-35(27-13-5-2-6-14-27)30-17-7-8-18-32(30)44-37(49)33-19-10-20-46(33)25-26-11-3-1-4-12-26;/h1-9,11-18,23,31,33,36H,10,19-22,24-25H2,(H2,44,45,49,50,51);/q;+2/p-2/t31-,33-,36+;/m0./s1
InChIKey LALKAXRHPSSCBL-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 UWMS25875