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(ETA(2)-C,N)-(N-BUTYL-N(1)-(2-PYRIDYLMETHYL)-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-PYRIDYLMETHYL)-IMIDAZOLE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
SpectraBase Compound ID 5tE0wyk3F4j
InChI InChI=1S/2C18H15P.C13H17N3.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;1-2-3-8-15-9-10-16(12-15)11-13-6-4-5-7-14-13;2-1(3,4)5;;;/h2*1-15H;4-7,9,12H,2-3,8,11H2,1H3;;;;/q;;+1;-1;-2;;/p+2
InChIKey RDGPLVFUYFNNGO-UHFFFAOYSA-P
Mol Weight 1022.9 g/mol
Molecular Formula C49H51BF4IrN3P2
Exact Mass 1023.321664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMazX9a13ec
Name (ETA(2)-C,N)-(N-BUTYL-N(1)-(2-PYRIDYLMETHYL)-IMIDAZOLE-4-YLIDENE)-BIS-(HYDRIDO)-BIS-(TRIPHENYLPHOSPHINE)-IRIDIUM-(III)-TETRAFLUOROBORATE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H49BF4IrN3P2
InChI InChI=1S/2C18H15P.C13H17N3.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;1-2-3-8-15-9-10-16(12-15)11-13-6-4-5-7-14-13;2-1(3,4)5;;;/h2*1-15H;4-7,9,12H,2-3,8,11H2,1H3;;;;/q;;+1;-1;-2;;/p+2
InChIKey RDGPLVFUYFNNGO-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 1020.919 g/mol
Sample ID 34787
Solvent CDCl3