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

View entire compound with spectra: 2 NMR

(ETA(2)-C,N)-(N-BUTYL-N(1)-(2-PYRIDYL)-IMIDAZOLE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
SpectraBase Compound ID KP1ft2Gthao
InChI InChI=1S/2C18H15P.C12H15N3.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;1-2-3-8-14-9-10-15(11-14)12-6-4-5-7-13-12;2-1(3,4)5;;;/h2*1-15H;4-7,9,11H,2-3,8H2,1H3;;;;/q;;+1;-1;-2;;/p+2
InChIKey MKQXFLGIHAOHBF-UHFFFAOYSA-P
Mol Weight 1008.9 g/mol
Molecular Formula C48H49BF4IrN3P2
Exact Mass 1009.306014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3DMBUKr1RJ6
Name (ETA(2)-C,N)-(N-BUTYL-N(1)-(2-PYRIDYL)-IMIDAZOLE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
Compound Number 14C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H47BF4IrN3P2
InChI InChI=1S/2C18H15P.C12H15N3.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;1-2-3-8-14-9-10-15(11-14)12-6-4-5-7-13-12;2-1(3,4)5;;;/h2*1-15H;4-7,9,11H,2-3,8H2,1H3;;;;/q;;+1;-1;-2;;/p+2
InChIKey MKQXFLGIHAOHBF-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 1006.892 g/mol
Sample ID 34791
Solvent CDCl3