![#6-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(T](/api/spectrum/I8UHqCyBSLg/structure.png?h=300&w=458 "#6-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(T")
| SpectraBase Compound ID | JLWn9tBLG7O |
|---|---|
| InChI | InChI=1S/C32H12BF24.C22H28NO2P.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;1-21(2,3)19-16-24-20(23-19)22(4,5)25-26(17-12-8-6-9-13-17)18-14-10-7-11-15-18;1-2-4-6-8-7-5-3-1;/h1-12H;6-15,19H,16H2,1-5H3;1-2,7-8H2;/q-1;;;/p+1/t;19-;;/m.1../s1 |
| InChIKey | SBZNHIDKUSIIMY-UUDFHTLGSA-O |
| Mol Weight | 1530.0 g/mol |
| Molecular Formula | C62H49BF24IrNO2P |
| Exact Mass | 1530.283997 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8UHqCyBSLg |
|---|---|
| Name | #6-IR;(-)-(S)-[(ETA(4)-1,5-CYCLOOCTADIENE)-[4-TERT.-BUTYL-2-(1-DIPHENYLPHOSPHINITE-1-METHYLETHYL)-4,5-DIHYDRO-OXAZOLE]-IRIDIUM-(I)]-TETRAKIS-[3,5-BIS-(T |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H48BF24IrNO2P |
| InChI | InChI=1S/C32H12BF24.C22H28NO2P.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;1-21(2,3)19-16-24-20(23-19)22(4,5)25-26(17-12-8-6-9-13-17)18-14-10-7-11-15-18;1-2-4-6-8-7-5-3-1;/h1-12H;6-15,19H,16H2,1-5H3;1-2,7-8H2;/q-1;;;/p+1/t;19-;;/m.1../s1 |
| InChIKey | SBZNHIDKUSIIMY-UUDFHTLGSA-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 | CDCl3 |
| Source File Reference | UWSI38769 |