![#9-IR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-ISOPROPYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-](/api/spectrum/IbqOqAYSTTu/structure.png?h=300&w=458 "#9-IR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-ISOPROPYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-")
| SpectraBase Compound ID | CN8hCKlT9FA |
|---|---|
| InChI | InChI=1S/C32H12BF24.C23H30NO2P.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)19-15-25-22(24-19)23(5,6)26-27(20-13-9-7-11-17(20)3)21-14-10-8-12-18(21)4;1-2-4-6-8-7-5-3-1;/h1-12H;7-14,16,19H,15H2,1-6H3;1-2,7-8H2;/q-1;;;/p+1 |
| InChIKey | LJJIPZLKVMDUCE-UHFFFAOYSA-O |
| Mol Weight | 1544.1 g/mol |
| Molecular Formula | C63H51BF24IrNO2P |
| Exact Mass | 1544.299647 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbqOqAYSTTu |
|---|---|
| Name | #9-IR;(+)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-ISOPROPYL-2-(1-DI-(2'-METHYLPHENYL)-PHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H50BF24IrNO2P |
| InChI | InChI=1S/C32H12BF24.C23H30NO2P.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)19-15-25-22(24-19)23(5,6)26-27(20-13-9-7-11-17(20)3)21-14-10-8-12-18(21)4;1-2-4-6-8-7-5-3-1;/h1-12H;7-14,16,19H,15H2,1-6H3;1-2,7-8H2;/q-1;;;/p+1 |
| InChIKey | LJJIPZLKVMDUCE-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 |
| Molecular Weight | 1543.061 g/mol |
| Sample ID | 38772 |
| Solvent | CDCl3 |