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#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
13',16':18',21'-dietheno-1,1''-diethyl-3',14',20',31'-tetramethyldispiro[piperidine-4,17'-[5,12,22,29]tetraoxa[37,40,41]triazatetracyclo[31.13.1.0.(4,45).0(30,35)]heptatetraconta-1',3',13',15',18',20',30',34',35',45'-decaene-47',4''-piperidine]-38',42'-dione
41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo[35.3.1.1(2,6).1(7,11).1(12,16).1(17,21).1(22,26).1(27,31).1(32,36)]octatetraconta-1(41),2,4,6(48),7,9,11(47),12,14,16(46),17,19,21(45),22,24,26(44),27,29,31(43),32,34,36(42),37,39-tetracosaene
(2S,5R,6R,10R,12S,13S,14S,15R)-2-[(2R,5R,6S)-5-benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-2,5-bis(tert-butyldimethylsilyloxy)-13,15-isopropylidenedioxy-6-(4-methoxybenzyloxy)-10,12-dimethylheptadec-7-yn-9-one1-yne
N-[4-((2-chloro-4-sulfophenyl){3-methyl-4-[(3-sulfobenzyl)amino]phenyl}methylene)-2-methyl-2,5-cyclohexadien-1-ylidene](3-sulfophenyl)methanaminium trihydrogen [(trioxotungstato)(trioxomolybdato)phosphate]
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19-hexaoxo-2,9-diphenyl-, hexyl ester, stereoisomer
6-(tert-Butyldimethylsiloxy)-3,4-(isopropylidenedioxy)-10,11-(di-tert-butylsilylnedioxy)-12,12-(2',2'-dimethylpropane-1',3'-diyldioxy)-2-oxo-1,2,3-(R*),4(R*)),4(S*),5,5a(S*),6(S*),11(R*),11a(R*),12,12a-(S*)-dodecahydronaphthacene
N-[4-[(2-chlorophenyl)[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohadien-1-ylidene]-N-ethyl-3-sulfobenzenemethanaminium trihydrogen {(trioxotungstato)(trioxomolybdato)phosphate]
tetramethyl (2.alpha.,3.alpha.,6.beta.,8.beta.,10.beta.,12.beta.,15.alpha.,16.alpha.)-19-endo,23-endo,27-exo-9,21-dioxo-7,11,19,23,27,28-hexaoxaundecacyclo[15.7.2.1(2,16),1(4,14).0(1,17).0(3,15).0(5,13).0(6,8).0(10,12).0(18,20).0(22,24)]octacosa-5(13),25-diene-3,15,25,26-tetracarboxylate
38-(3,5-Dimethylphenyl)-7,8,19,20,28,29,35,36-octahydro-6H,10H,16H,32H,34H-59:17,21-dimethano-11,15-metheno-1,2,5-[1',3']pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexacosine-32,37,39-trione
Spiro[12,15:17,20-dietheno-6H,16H,22H-dibenzo[b,d][1,6,12,22]tetraox acycloheptacosin-16,4'-piperidine]-1,31-dimethanamine, 7,8,9,10,23,24,25,26-octahydro-N,N,N',N',1',13,19,32,35-nonamethyl-, (S)-
Title Journal or Book Year
SimplePHOX, a Readily Available Chiral Ligand System for Iridium-Catalyzed Asymmetric Hydrogenation Organic Letters 2004
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