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TRANS-[HYDRIDO-(ACETONE)-BIS-(TRIPHENYLPHOSPHINE)-[N,C-2-(DIMETHYLAMINO)-PYRIDINE-1'-YL]-IRIDIUM-(III)]-FLUOROBORATE
SpectraBase Compound ID EemIqPaJGGY
InChI InChI=1S/2C18H15P.C7H9N2.C3H6O.BF4.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;1-9(2)7-5-3-4-6-8-7;1-3(2)4;2-1(3,4)5;;/h2*1-15H;3-6H,1H2,2H3;1-2H3;;;/q;;;;2*-1;/p+2
InChIKey OUQRURLIVZVLPN-UHFFFAOYSA-P
Mol Weight 985.9 g/mol
Molecular Formula C46H48BF4IrN2OP2
Exact Mass 986.29003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DS5BTQUMvgO
Name TRANS-[HYDRIDO-(ACETONE)-BIS-(TRIPHENYLPHOSPHINE)-[N,C-2-(DIMETHYLAMINO)-PYRIDINE-1'-YL]-IRIDIUM-(III)]-FLUOROBORATE
Compound Number 3A-(ME2CO)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H46BF4IrN2OP2
InChI InChI=1S/2C18H15P.C7H9N2.C3H6O.BF4.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;1-9(2)7-5-3-4-6-8-7;1-3(2)4;2-1(3,4)5;;/h2*1-15H;3-6H,1H2,2H3;1-2H3;;;/q;;;;2*-1;/p+2
InChIKey OUQRURLIVZVLPN-UHFFFAOYSA-P
Literature Reference Author E.CLOT,J.CHEN,D.H.LEE,S.Y.SUNG,L.N.APPELHANS,J.W.FALLER,R.H. CRABTREE,O.EISENSTEI
Literature Reference Citation J.AM.CHEM.SOC.,126,8795(2004)
Literature Reference DOI 10.1021/ja048473j
Molecular Weight 983.855 g/mol
Solvent ACETONE-D6
Source File Reference UWVN31456