| SpectraBase Compound ID | 1kZYKEJXTVf |
|---|---|
| InChI | InChI=1S/C32H12BF24.C25H26NOP.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;1-25(2,3)24-26-22(18-27-24)21-16-10-11-17-23(21)28(19-12-6-4-7-13-19)20-14-8-5-9-15-20;1-2-4-6-8-7-5-3-1;/h1-12H;4-17,22H,18H2,1-3H3;1-2,7-8H2;/q-1;;;/p+1/t;22-;;/m.0../s1 |
| InChIKey | MFFKHNXDKXRQQA-HRRNSCMASA-O |
| Mol Weight | 1548.1 g/mol |
| Molecular Formula | C65H47BF24IrNOP |
| Exact Mass | 1548.273432 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiU8jG2vrqK |
|---|---|
| Name | MFFKHNXDKXRQQA-HRRNSCMASA-O |
| Compound Number | 11E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H46BF24IrNOP |
| InChI | InChI=1S/C32H12BF24.C25H26NOP.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;1-25(2,3)24-26-22(18-27-24)21-16-10-11-17-23(21)28(19-12-6-4-7-13-19)20-14-8-5-9-15-20;1-2-4-6-8-7-5-3-1;/h1-12H;4-17,22H,18H2,1-3H3;1-2,7-8H2;/q-1;;;/p+1/t;22-;;/m.0../s1 |
| InChIKey | MFFKHNXDKXRQQA-HRRNSCMASA-O |
| Literature Reference Author | D.LIU,W.TANG,X.ZHANG |
| Literature Reference Citation | ORG.LETTERS,6,513(2004) |
| Literature Reference DOI | 10.1021/ol0362717 |
| Solvent | CDCl3 |
| Source File Reference | UWSI34970 |