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(ETA(2)-C,N)-(N-MESITYL-N(1)-(2-PYRIDYL)-IMIDAZOLIDINE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE

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(ETA(2)-C,N)-(N-MESITYL-N(1)-(2-PYRIDYL)-IMIDAZOLIDINE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
SpectraBase Compound ID HKkOztPpWSQ
InChI InChI=1S/2C18H15P.C17H19N3.BF4.Ir.2H/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13-10-14(2)17(15(3)11-13)20-9-8-19(12-20)16-6-4-5-7-18-16;2-1(3,4)5;;;/h2*1-15H;4-7,10-11H,9,12H2,1-3H3;;;;/q;;+1;-1;-2;;/p+2
InChIKey NFBKGBGIHHZNSD-UHFFFAOYSA-P
Mol Weight 1073.0 g/mol
Molecular Formula C53H53BF4IrN3P2
Exact Mass 1073.337315 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Sf2Ek1tV5A
Name (ETA(2)-C,N)-(N-MESITYL-N(1)-(2-PYRIDYL)-IMIDAZOLIDINE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H51BF4IrN3P2
InChI InChI=1S/2C18H15P.C17H19N3.BF4.Ir.2H/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13-10-14(2)17(15(3)11-13)20-9-8-19(12-20)16-6-4-5-7-18-16;2-1(3,4)5;;;/h2*1-15H;4-7,10-11H,9,12H2,1-3H3;;;;/q;;+1;-1;-2;;/p+2
InChIKey NFBKGBGIHHZNSD-UHFFFAOYSA-P
Literature Reference Author S.GRUENDEMANN,A.KOVACEVIC,M.ALBRECHT,J.W.FALLER,R.H.CRABTREE
Literature Reference Citation J.AM.CHEM.SOC.,124,10473(2002)
Literature Reference DOI 10.1021/ja026735g
Molecular Weight 1070.979 g/mol
Sample ID 34794
Solvent CDCl3