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[IR(H)2(P-(I)PR2PH)3]-[B-(3,5-(CF3)2C6H3)4]

Compound with spectra: 2 NMR

[IR(H)2(P-(I)PR2PH)3]-[B-(3,5-(CF3)2C6H3)4]
SpectraBase Compound ID AX7n7TdU5Mb
InChI InChI=1S/C32H12BF24.3C12H19P.Ir.2H/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;3*1-10(2)13(11(3)4)12-8-6-5-7-9-12;;;/h1-12H;3*5-11H,1-4H3;;;/q-1;;;;-2;;/p+3
InChIKey KITQRRSLZIZPEV-UHFFFAOYSA-Q
Mol Weight 1643.3 g/mol
Molecular Formula C68H74BF24IrP3
Exact Mass 1643.434243 g/mol
Parent InChIKey XYCVBDGVGAQLGB-UHFFFAOYSA-Q

View Spectrum of [IR(H)2(P-(I)PR2PH)3]-[B-(3,5-(CF3)2C6H3)4]

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent THF-D8

View Spectrum of [IR(H)2(P-(I)PR2PH)3]-[B-(3,5-(CF3)2C6H3)4]

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent THF-D8
DIETHYL-(2R,3R)-2,3-BIS-[[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLPHOSPHINO]-OXY]-SUCCINATE
N'-[1-[3,5-Bis(trifluoromethyl)phenyl]-3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-N,N-dimethylimidoformamide
Benzenesulfonamide, 3,5-bis(trifluoromethyl)-N-(2-ethyl-6-isopropylphenyl)-
(1S,2S)-1,2-DIPHENYLETHYLENE-BIS-[3,5-BIS-(TRIFLUOROMETHYL)-PHENYLPHOSPHINITE]
2-(3,5-Bis(trifluoromethyl)phenyl)quinazolin-4-amine
4-(p-CHLOROPHENYL)-2-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLIDINO)-3-METHYLTHIAZOLIUM BROMIDE
2,5-DIMETHOXY-alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUOROBENZENESULFONO-3',5'-XYLIDIDE
4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-6-(p-methoxyphenyl)-s-triazin-2(1H)-one
N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophene-3-carboxamide
3,5-dibromo-2-methoxybenzaldehyde [2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazone
Title Journal or Book Year
Computational and Experimental Test of Steric Influence on Agostic Interactions:  A Homologous Series for Ir(III) Journal of the American Chemical Society 1998
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