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

*Links on SpectraBase are not permalinks.

#8-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-ISOPROPYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(TRI

Compound with spectra: 3 NMR

#8-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-ISOPROPYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(TRI
SpectraBase Compound ID 16Z1Vh88yPT
InChI InChI=1S/C32H12BF24.C21H26NO2P.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;1-16(2)19-15-23-20(22-19)21(3,4)24-25(17-11-7-5-8-12-17)18-13-9-6-10-14-18;1-2-4-6-8-7-5-3-1;/h1-12H;5-14,16,19H,15H2,1-4H3;1-2,7-8H2;/q-1;;;/p+1/t;19-;;/m.1../s1
InChIKey MNHSWEZVZYPJGR-UUDFHTLGSA-O
Mol Weight 1516.0 g/mol
Molecular Formula C61H47BF24IrNO2P
Exact Mass 1516.268347 g/mol
Parent InChIKey KBNVONURVTWGKF-PNJSEINJSA-O
Enantiomer InChIKey MNHSWEZVZYPJGR-ZHTZPMDJSA-O
Racemate InChIKey MNHSWEZVZYPJGR-UHFFFAOYSA-O

View Spectrum of #8-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-ISOPROPYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(TRI

19F NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of #8-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-ISOPROPYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(TRI

31P NMR Spectrum
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of #8-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-ISOPROPYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(TRI

13C NMR Spectrum
Copyright Copyright © 2016-2025 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

This compound is available in the following databases:

KnowItAll NMR Spectral Library
Author: Wiley

The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.

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.