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[IR-H-(CO)[KAPA(2)-(C,O)-CH=CHC(ME)=O]-(PPH3)2]-PF6
SpectraBase Compound ID C9IrM1Qy0EI
InChI InChI=1S/2C18H15P.C4H6O.CO.F6P.Ir.H/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4(2)5;1-2;1-7(2,3,4,5)6;;/h2*1-15H;1,3-4H,2H3;;;;/q;;-1;;-1;;/p+2
InChIKey DZLNFYUOHWKQLM-UHFFFAOYSA-P
Mol Weight 962.88990498 g/mol
Molecular Formula C41H39F6IrO2P3
Exact Mass 963.169634 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Z6jeq7GQH8
Name [IR-H-(CO)[KAPA(2)-(C,O)-CH=CHC(ME)=O]-(PPH3)2]-PF6
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H37F6IrO2P3
InChI InChI=1S/2C18H15P.C4H6O.CO.F6P.Ir.H/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4(2)5;1-2;1-7(2,3,4,5)6;;/h2*1-15H;1,3-4H,2H3;;;;/q;;-1;;-1;;/p+2
InChIKey DZLNFYUOHWKQLM-UHFFFAOYSA-P
Literature Reference Author B.PAPENFUHS,T.DIRNBERGER,H.WERNER
Literature Reference Citation CAN.J.CHEM.,84,205(2006)
Literature Reference DOI 10.1139/v05-234
Solvent CDCl3
Source File Reference UWLU46682