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IR-H-(CL)[KAPA(2)-(C,O)-C(PH)=CHC(PH)=O]-(PPH3)2
SpectraBase Compound ID 5biUNOmmRwf
InChI InChI=1S/2C18H15P.C15H11O.ClH.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;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;;;/h2*1-15H;1-10,12H;1H;;/q;;;;-1;/p+1
InChIKey RDWXNVJKLLFVMO-UHFFFAOYSA-O
Mol Weight 962.5 g/mol
Molecular Formula C51H44ClIrOP2
Exact Mass 962.218517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FUWDQoXCbF
Name IR-H-(CL)[KAPA(2)-(C,O)-C(PH)=CHC(PH)=O]-(PPH3)2
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H42ClIrOP2
InChI InChI=1S/2C18H15P.C15H11O.ClH.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;16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;;;/h2*1-15H;1-10,12H;1H;;/q;;;;-1;/p+1
InChIKey RDWXNVJKLLFVMO-UHFFFAOYSA-O
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
Molecular Weight 960.514 g/mol
Sample ID 46679
Solvent CDCl3