John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EwxEKqO7lI8 SpectraBase Spectrum ID=1iLFWCOce6q

(accessed ).
(ETA(2)-C,N)-(N-MESITYL-N(1)-(2-PYRIDYLMETHYL)-IMIDAZOLE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
SpectraBase Compound ID EwxEKqO7lI8
InChI InChI=1S/C18H19N3.2C18H15P.BF4.Ir.2H/c1-14-10-15(2)18(16(3)11-14)21-9-8-20(13-21)12-17-6-4-5-7-19-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5;;;/h4-7,9-11,13H,12H2,1-3H3;2*1-15H;;;;/q+1;;;-1;-2;;/p+2
InChIKey XSZHLLDAMJUOAE-UHFFFAOYSA-P
Mol Weight 1083.0 g/mol
Molecular Formula C54H51BF4IrN3P2
Exact Mass 1083.321686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1iLFWCOce6q
Name (ETA(2)-C,N)-(N-MESITYL-N(1)-(2-PYRIDYLMETHYL)-IMIDAZOLE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
Compound Number 12A
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Formula C54H51BF4IrN3P2
InChI InChI=1S/C18H19N3.2C18H15P.BF4.Ir.2H/c1-14-10-15(2)18(16(3)11-14)21-9-8-20(13-21)12-17-6-4-5-7-19-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5;;;/h4-7,9-11,13H,12H2,1-3H3;2*1-15H;;;;/q+1;;;-1;-2;;/p+2
InChIKey XSZHLLDAMJUOAE-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 1082.990 g/mol
Sample ID 34785
Solvent CDCl3
SpectraBase Batch ID J9mGX4EwDhS