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TRANS-ACETYLACETONATO-(1,5-ETA-1,2-DIPHENYL-1,3-PENTADIENEDIYL)-BIS-(TRIMETHYLPHOSPHINE)-IRIDIUM(III)

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TRANS-ACETYLACETONATO-(1,5-ETA-1,2-DIPHENYL-1,3-PENTADIENEDIYL)-BIS-(TRIMETHYLPHOSPHINE)-IRIDIUM(III)
SpectraBase Compound ID G2D2d5Tfgyh
InChI InChI=1S/C17H14.C5H8O2.2C3H9P.Ir/c1-2-9-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15;1-4(6)3-5(2)7;2*1-4(2)3;/h2-13H,1H2;6-7H,1-2H3;2*1-3H3;/b9-2-,17-14?;;;;
InChIKey HOXJFUDRAWCTNO-CHJABHFBSA-N
Mol Weight 662.8 g/mol
Molecular Formula C28H40IrO2P2
Exact Mass 663.213279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sVITHKrHBV
Name TRANS-ACETYLACETONATO-(1,5-ETA-1,2-DIPHENYL-1,3-PENTADIENEDIYL)-BIS-(TRIMETHYLPHOSPHINE)-IRIDIUM(III)
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38IrO2P2
InChI InChI=1S/C17H14.C5H8O2.2C3H9P.Ir/c1-2-9-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15;1-4(6)3-5(2)7;2*1-4(2)3;/h2-13H,1H2;6-7H,1-2H3;2*1-3H3;/b9-2-,17-14?;;;;
InChIKey HOXJFUDRAWCTNO-CHJABHFBSA-N
Literature Reference Author R.P.HUGHES,H.A.TRUJILLO,J.W.EGAN,A.L.RHEINGOLD
Literature Reference Citation J.AM.CHEM.SOC.,122,2261(2000)
Literature Reference DOI 10.1021/ja992407d
Molecular Weight 660.776 g/mol
Solvent CDCl3
Source File Reference UWSI2553