For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

#7-IR;MAJOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T

Compound with spectra: 6 NMR

#7-IR;MAJOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T
SpectraBase Compound ID 1nylFXmYpJv
InChI InChI=1S/C32H12BF24.C24H32NO2P.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;1-17-12-8-10-14-19(17)28(20-15-11-9-13-18(20)2)27-24(6,7)22-25-21(16-26-22)23(3,4)5;1-2-4-6-8-7-5-3-1;/h1-12H;8-15,21H,16H2,1-7H3;1-2,7-8H2;/q-1;;;/p+1
InChIKey PLUWFLKMUNWRSX-UHFFFAOYSA-O
Mol Weight 1558.1 g/mol
Molecular Formula C64H53BF24IrNO2P
Exact Mass 1558.315297 g/mol
Parent InChIKey INXODIDXGRLFGE-UHFFFAOYSA-O

View Spectrum of #7-IR;MAJOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2

View Spectrum of #7-IR;MAJOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T

19F NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2

View Spectrum of #7-IR;MAJOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2

View Spectrum of #7-IR;MAJOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2

View Spectrum of #7-IR;MAJOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2

View Spectrum of #7-IR;MAJOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CD2Cl2
  • #7-IR;MINOR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-T
Title Journal or Book Year
SimplePHOX, a Readily Available Chiral Ligand System for Iridium-Catalyzed Asymmetric Hydrogenation Organic Letters 2004
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.