| SpectraBase Compound ID | 3tuGW9YzMPF |
|---|---|
| InChI | InChI=1S/C36H54N2O2.BF4.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;2-1(3,4)5;/h17-22,29-30,39-40H,13-16H2,1-12H3;;/q;-1;+3/p-2/t29-,30-;;/m1../s1 |
| InChIKey | XHHNFOBHOREMBR-SEILFYAJSA-L |
| Mol Weight | 690.6 g/mol |
| Molecular Formula | C36H52BCoF4N2O2 |
| Exact Mass | 690.338991 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CMkAeSK7HZu |
|---|---|
| Name | (1R,2R)-(TERT.-BUTYL)2SALEN-CO(III)-BF4 |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52BCoF4N2O2 |
| InChI | InChI=1S/C36H54N2O2.BF4.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;2-1(3,4)5;/h17-22,29-30,39-40H,13-16H2,1-12H3;;/q;-1;+3/p-2/t29-,30-;;/m1../s1 |
| InChIKey | XHHNFOBHOREMBR-SEILFYAJSA-L |
| 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 | UWLU60299 |