| SpectraBase Compound ID | 9YvPqVbFO2l |
|---|---|
| InChI | InChI=1S/C36H54N2O2.C2HF3O2.Co/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;3-2(4,5)1(6)7;/h17-22,29-30,39-40H,13-16H2,1-12H3;(H,6,7);/q;;+3/p-3/t29-,30-;;/m1../s1 |
| InChIKey | SMYGVSUPKBOQFU-SEILFYAJSA-K |
| Mol Weight | 716.8 g/mol |
| Molecular Formula | C38H52CoF3N2O4 |
| Exact Mass | 716.321112 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L6OpLVwoayG |
|---|---|
| Name | (1R,2R)-(TERT.-BUTYL)2SALEN-CO(III)-OCOCF3 |
| Compound Number | 1F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H52CoF3N2O4 |
| InChI | InChI=1S/C36H54N2O2.C2HF3O2.Co/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;3-2(4,5)1(6)7;/h17-22,29-30,39-40H,13-16H2,1-12H3;(H,6,7);/q;;+3/p-3/t29-,30-;;/m1../s1 |
| InChIKey | SMYGVSUPKBOQFU-SEILFYAJSA-K |
| Literature Reference Author | A.BERKESSEL,M.BRANDENBURG |
| Literature Reference Citation | ORG.LETTERS,8,4401(2006) |
| Literature Reference DOI | 10.1021/ol061501d |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU60300 |