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

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[IR-H-(CO)[KAPA(2)-(C,O)-CH=CHC(ET)=O]-(PPH3)2]-CLO4
SpectraBase Compound ID 4aNbcg5iXBZ
InChI InChI=1S/2C18H15P.C5H7O.CO.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;1-2;2-1(3,4)5;;/h2*1-15H;1,3H,4H2,2H3;;(H,2,3,4,5);;/q;;;;;-1;/p+1
InChIKey NZQHNAOYORUIJL-UHFFFAOYSA-O
Mol Weight 930.4 g/mol
Molecular Formula C42H40ClIrO6P2
Exact Mass 930.16179 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6qCD7JUCzWN
Name [IR-H-(CO)[KAPA(2)-(C,O)-CH=CHC(ET)=O]-(PPH3)2]-CLO4
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H38ClIrO6P2
InChI InChI=1S/2C18H15P.C5H7O.CO.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;1-2;2-1(3,4)5;;/h2*1-15H;1,3H,4H2,2H3;;(H,2,3,4,5);;/q;;;;;-1;/p+1
InChIKey NZQHNAOYORUIJL-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 UWLU46685