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(ETA(2)-C,N)-(N-ISOPROPYL-N(1)-(2-PYRIDYL)-BENZIMIDAZOLE-2-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE

View entire compound with spectra: 2 NMR

(ETA(2)-C,N)-(N-ISOPROPYL-N(1)-(2-PYRIDYL)-BENZIMIDAZOLE-2-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
SpectraBase Compound ID FCKY7U6eAvm
InChI InChI=1S/2C18H15P.C15H15N3.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;1-12(2)17-11-18(15-9-5-6-10-16-15)14-8-4-3-7-13(14)17;2-1(3,4)5;;;/h2*1-15H;3-10,12H,1-2H3;;;;/q;;+1;-1;-2;;/p+2
InChIKey NFEPMQAYOSFVGI-UHFFFAOYSA-P
Mol Weight 1044.9 g/mol
Molecular Formula C51H49BF4IrN3P2
Exact Mass 1045.306014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gxEwVrLD1Q
Name (ETA(2)-C,N)-(N-ISOPROPYL-N(1)-(2-PYRIDYL)-BENZIMIDAZOLE-2-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H47BF4IrN3P2
InChI InChI=1S/2C18H15P.C15H15N3.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;1-12(2)17-11-18(15-9-5-6-10-16-15)14-8-4-3-7-13(14)17;2-1(3,4)5;;;/h2*1-15H;3-10,12H,1-2H3;;;;/q;;+1;-1;-2;;/p+2
InChIKey NFEPMQAYOSFVGI-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 1042.925 g/mol
Sample ID 34793
Solvent CDCl3