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[IR-H-(CH3C-CH)[KAPA(2)-(C,O)-CH=CHC(ET)=O]-(PPH3)2]-CLO4

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[IR-H-(CH3C-CH)[KAPA(2)-(C,O)-CH=CHC(ET)=O]-(PPH3)2]-CLO4
SpectraBase Compound ID 4jSmrOfnVKS
InChI InChI=1S/2C18H15P.C5H7O.C3H3.ClHO4.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;1-3-5(6)4-2;1-3-2;2-1(3,4)5;;/h2*1-15H;1,3H,4H2,2H3;1H3;(H,2,3,4,5);;/q;;;;;-1;/p+1
InChIKey YMPCNWMBWQRQAB-UHFFFAOYSA-O
Mol Weight 941.44 g/mol
Molecular Formula C44H43ClIrO5P2
Exact Mass 941.19035 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID jZzVf4NKMo
Name [IR-H-(CH3C-CH)[KAPA(2)-(C,O)-CH=CHC(ET)=O]-(PPH3)2]-CLO4
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H41ClIrO5P2
InChI InChI=1S/2C18H15P.C5H7O.C3H3.ClHO4.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;1-3-5(6)4-2;1-3-2;2-1(3,4)5;;/h2*1-15H;1,3H,4H2,2H3;1H3;(H,2,3,4,5);;/q;;;;;-1;/p+1
InChIKey YMPCNWMBWQRQAB-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
Solvent CDCl3
Source File Reference UWLU46687