John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2iHxkgaoYKi SpectraBase Spectrum ID=2aG949yIl6K

(accessed ).
7-PARA-TRIFLUOROMETHYLPHENYL-2-(2,6-DIISOPROPYL)-ANILINOTROPONE-NICKEL-(TRIPHENYLPHOSPHINE)-PHENYL-COMPLEX
SpectraBase Compound ID 2iHxkgaoYKi
InChI InChI=1S/C26H26F3NO.C18H15P.C6H5.Ni/c1-16(2)20-9-7-10-21(17(3)4)24(20)30-23-11-6-5-8-22(25(23)31)18-12-14-19(15-13-18)26(27,28)29;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h5-17H,1-4H3,(H,30,31);1-15H;1-5H;
InChIKey LFFMYGFTWWNVRD-UHFFFAOYSA-N
Mol Weight 822.6 g/mol
Molecular Formula C50H45F3NNiOP
Exact Mass 821.254436 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aG949yIl6K
Name 7-PARA-TRIFLUOROMETHYLPHENYL-2-(2,6-DIISOPROPYL)-ANILINOTROPONE-NICKEL-(TRIPHENYLPHOSPHINE)-PHENYL-COMPLEX
Compound Number 9D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H45F3NNiOP
InChI InChI=1S/C26H26F3NO.C18H15P.C6H5.Ni/c1-16(2)20-9-7-10-21(17(3)4)24(20)30-23-11-6-5-8-22(25(23)31)18-12-14-19(15-13-18)26(27,28)29;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;/h5-17H,1-4H3,(H,30,31);1-15H;1-5H;
InChIKey LFFMYGFTWWNVRD-UHFFFAOYSA-N
Literature Reference Author J.C.JENKINS,M.BROOKHART
Literature Reference Citation J.AM.CHEM.SOC.,126,5827(2004)
Literature Reference DOI 10.1021/ja030634g
Solvent CD2Cl2
Source File Reference UWLU36951
SpectraBase Batch ID Ltc5iIIHRww