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#6-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(T

Compound with spectra: 3 NMR

#6-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(T
SpectraBase Compound ID JLWn9tBLG7O
InChI InChI=1S/C32H12BF24.C22H28NO2P.C8H8.Ir/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;1-21(2,3)19-16-24-20(23-19)22(4,5)25-26(17-12-8-6-9-13-17)18-14-10-7-11-15-18;1-2-4-6-8-7-5-3-1;/h1-12H;6-15,19H,16H2,1-5H3;1-2,7-8H2;/q-1;;;/p+1/t;19-;;/m.1../s1
InChIKey SBZNHIDKUSIIMY-UUDFHTLGSA-O
Mol Weight 1530.0 g/mol
Molecular Formula C62H49BF24IrNO2P
Exact Mass 1530.283997 g/mol
Parent InChIKey CMSASJBSQCTKNN-PNJSEINJSA-O
Enantiomer InChIKey SBZNHIDKUSIIMY-ZHTZPMDJSA-O
Racemate InChIKey SBZNHIDKUSIIMY-UHFFFAOYSA-O

View Spectrum of #6-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(T

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of #6-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(T

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of #6-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(T

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
SimplePHOX, a Readily Available Chiral Ligand System for Iridium-Catalyzed Asymmetric Hydrogenation Organic Letters 2004
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