![#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](/api/spectrum/I3AGJrAVlAe/structure.png?h=300&w=458 "#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 |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I3AGJrAVlAe |
|---|---|
| Name | #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 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H52BF24IrNO2P |
| 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 |
| Literature Reference Author | S.P.SMIDT,F.MENGES,A.PFALTZ |
| Literature Reference Citation | ORG.LETTERS,6,2023(2004) |
| Literature Reference DOI | 10.1021/ol049235w |
| Solvent | CD2Cl2 |
| Source File Reference | UWSI38770 |